# 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 = Se2TeZn # 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 1.887376567e+04 1.887376567e+04 0.96 1.658549029e+04 1.658549029e+04 0.98 1.462180355e+04 1.462180355e+04 1.00 1.293445028e+04 1.293445028e+04 1.02 1.147933250e+04 1.147933250e+04 1.04 1.021871441e+04 1.021871441e+04 1.06 9.121829480e+03 9.121829480e+03 1.08 8.162563588e+03 8.162563588e+03 1.10 7.318392034e+03 7.318392034e+03 1.12 6.570460468e+03 6.570460468e+03 1.14 5.903713815e+03 5.903713815e+03 1.16 5.306307619e+03 5.306307619e+03 1.18 4.768930616e+03 4.768930616e+03 1.20 4.285125748e+03 4.285125748e+03 1.22 3.850300217e+03 3.850300217e+03 1.24 3.460308291e+03 3.460308291e+03 1.26 3.111227809e+03 3.111227809e+03 1.28 2.799678791e+03 2.799678791e+03 1.30 2.522892134e+03 2.522892134e+03 1.32 2.278252343e+03 2.278252343e+03 1.34 2.062820927e+03 2.062820927e+03 1.36 1.873268387e+03 1.873268387e+03 1.38 1.706014894e+03 1.706014894e+03 1.40 1.557520440e+03 1.557520440e+03 1.42 1.424651654e+03 1.424651654e+03 1.44 1.304891020e+03 1.304891020e+03 1.46 1.196282918e+03 1.196282918e+03 1.48 1.097233258e+03 1.097233258e+03 1.50 1.006337585e+03 1.006337585e+03 1.52 9.224182503e+02 9.224182503e+02 1.54 8.446387672e+02 8.446387672e+02 1.56 7.725014701e+02 7.725014701e+02 1.58 7.057350625e+02 7.057350625e+02 1.60 6.441791537e+02 6.441791537e+02 1.62 5.876991598e+02 5.876991598e+02 1.64 5.361390982e+02 5.361390982e+02 1.66 4.893089195e+02 4.893089195e+02 1.68 4.469835084e+02 4.469835084e+02 1.70 4.089038434e+02 4.089038434e+02 1.72 3.747795272e+02 3.747795272e+02 1.74 3.442923856e+02 3.442923856e+02 1.76 3.171008291e+02 3.171008291e+02 1.78 2.928457732e+02 2.928457732e+02 1.80 2.711614951e+02 2.711614951e+02 1.82 2.516957052e+02 2.516957052e+02 1.84 2.341361108e+02 2.341361108e+02 1.86 2.182288111e+02 2.182288111e+02 1.88 2.037724454e+02 2.037724454e+02 1.90 1.905912395e+02 1.905912395e+02 1.92 1.785125047e+02 1.785125047e+02 1.94 1.673637547e+02 1.673637547e+02 1.96 1.569826219e+02 1.569826219e+02 1.98 1.472310733e+02 1.472310733e+02 2.00 1.380073710e+02 1.380073710e+02 2.02 1.292488362e+02 1.292488362e+02 2.04 1.209226204e+02 1.209226204e+02 2.06 1.130112706e+02 1.130112706e+02 2.08 1.055032230e+02 1.055032230e+02 2.10 9.838926070e+01 9.838926070e+01 2.12 9.166099876e+01 9.166099876e+01 2.14 8.530985586e+01 8.530985586e+01 2.16 7.932645509e+01 7.932645509e+01 2.18 7.370040489e+01 7.370040489e+01 2.20 6.842020875e+01 6.842020875e+01 2.22 6.347319952e+01 6.347319952e+01 2.24 5.884549928e+01 5.884549928e+01 2.26 5.452201539e+01 5.452201539e+01 2.28 5.048648592e+01 5.048648592e+01 2.30 4.672158997e+01 4.672158997e+01 2.32 4.320914055e+01 4.320914055e+01 2.34 3.993037692e+01 3.993037692e+01 2.36 3.686636783e+01 3.686636783e+01 2.38 3.399852399e+01 3.399852399e+01 2.40 3.130919394e+01 3.130919394e+01 2.42 2.878228132e+01 2.878228132e+01 2.44 2.640377863e+01 2.640377863e+01 2.46 2.416207911e+01 2.416207911e+01 2.48 2.204793779e+01 2.204793779e+01 2.50 2.005404178e+01 2.005404178e+01 2.52 1.817432539e+01 1.817432539e+01 2.54 1.640333490e+01 1.640333490e+01 2.56 1.473592520e+01 1.473592520e+01 2.58 1.316729674e+01 1.316729674e+01 2.60 1.169315319e+01 1.169315319e+01 2.62 1.030982532e+01 1.030982532e+01 2.64 9.014324971e+00 9.014324971e+00 2.66 7.804307937e+00 7.804307937e+00 2.68 6.677933292e+00 6.677933292e+00 2.70 5.633641139e+00 5.633641139e+00 2.72 4.669913954e+00 4.669913954e+00 2.74 3.785102844e+00 3.785102844e+00 2.76 2.977356035e+00 2.977356035e+00 2.78 2.244612418e+00 2.244612418e+00 2.80 1.584604341e+00 1.584604341e+00 2.82 9.948544888e-01 9.948544888e-01 2.84 4.726729626e-01 4.726729626e-01 2.86 1.515736023e-02 1.515736023e-02 2.88 -3.808034288e-01 -3.808034288e-01 2.90 -7.185211507e-01 -7.185211507e-01 2.92 -1.001495253e+00 -1.001495253e+00 2.94 -1.233394522e+00 -1.233394522e+00 2.96 -1.418032787e+00 -1.418032787e+00 2.98 -1.559338272e+00 -1.559338272e+00 3.00 -1.661316382e+00 -1.661316382e+00 3.02 -1.728005982e+00 -1.728005982e+00 3.04 -1.763429641e+00 -1.763429641e+00 3.06 -1.771538927e+00 -1.771538927e+00 3.08 -1.756156631e+00 -1.756156631e+00 3.10 -1.720918883e+00 -1.720918883e+00 3.12 -1.669221358e+00 -1.669221358e+00 3.14 -1.604175123e+00 -1.604175123e+00 3.16 -1.528578729e+00 -1.528578729e+00 3.18 -1.444913193e+00 -1.444913193e+00 3.20 -1.355364405e+00 -1.355364405e+00 3.22 -1.261872061e+00 -1.261872061e+00 3.24 -1.166194650e+00 -1.166194650e+00 3.26 -1.069968866e+00 -1.069968866e+00 3.28 -9.747362987e-01 -9.747362987e-01 3.30 -8.819215479e-01 -8.819215479e-01 3.32 -7.927756013e-01 -7.927756013e-01 3.34 -7.083214701e-01 -7.083214701e-01 3.36 -6.293254098e-01 -6.293254098e-01 3.38 -5.562886847e-01 -5.562886847e-01 3.40 -4.894513785e-01 -4.894513785e-01 3.42 -4.288076263e-01 -4.288076263e-01 3.44 -3.741339440e-01 -3.741339440e-01 3.46 -3.250318456e-01 -3.250318456e-01 3.48 -2.809844776e-01 -2.809844776e-01 3.50 -2.414243989e-01 -2.414243989e-01 3.52 -2.058057968e-01 -2.058057968e-01 3.54 -1.736699315e-01 -1.736699315e-01 3.56 -1.446892614e-01 -1.446892614e-01 3.58 -1.186768015e-01 -1.186768015e-01 3.60 -9.555624801e-02 -9.555624801e-02 3.62 -7.530474982e-02 -7.530474982e-02 3.64 -5.789428691e-02 -5.789428691e-02 3.66 -4.325441227e-02 -4.325441227e-02 3.68 -3.125876537e-02 -3.125876537e-02 3.70 -2.172399751e-02 -2.172399751e-02 3.72 -1.441368704e-02 -1.441368704e-02 3.74 -9.046195268e-03 -9.046195268e-03 3.76 -5.306912820e-03 -5.306912820e-03 3.78 -2.865015019e-03 -2.865015019e-03 3.80 -1.394013408e-03 -1.394013408e-03 3.82 -5.941416773e-04 -5.941416773e-04 3.84 -2.131260930e-04 -2.131260930e-04 3.86 -6.072522206e-05 -6.072522206e-05 3.88 -1.259705733e-05 -1.259705733e-05 3.90 -1.658403533e-06 -1.658403533e-06 3.92 -1.100920574e-07 -1.100920574e-07 3.94 -2.429766757e-09 -2.429766757e-09 3.96 -7.693449918e-12 -7.693449918e-12 3.98 -4.789159344e-16 -4.789159344e-16 4.00 -1.307674533e-24 -1.307674533e-24 4.02 -1.404561185e-51 -1.404561185e-51 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 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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