# 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 = HgSe2Te # 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 1.897391799e+04 1.897391799e+04 0.96 1.666591687e+04 1.666591687e+04 0.98 1.467916932e+04 1.467916932e+04 1.00 1.296879293e+04 1.296879293e+04 1.02 1.149612214e+04 1.149612214e+04 1.04 1.022765194e+04 1.022765194e+04 1.06 9.130877405e+03 9.130877405e+03 1.08 8.174637205e+03 8.174637205e+03 1.10 7.332516056e+03 7.332516056e+03 1.12 6.584604386e+03 6.584604386e+03 1.14 5.917542810e+03 5.917542810e+03 1.16 5.321804626e+03 5.321804626e+03 1.18 4.788982809e+03 4.788982809e+03 1.20 4.311394563e+03 4.311394563e+03 1.22 3.882227266e+03 3.882227266e+03 1.24 3.495874163e+03 3.495874163e+03 1.26 3.148034510e+03 3.148034510e+03 1.28 2.835425041e+03 2.835425041e+03 1.30 2.555576543e+03 2.555576543e+03 1.32 2.306404797e+03 2.306404797e+03 1.34 2.085758734e+03 2.085758734e+03 1.36 1.891287651e+03 1.891287651e+03 1.38 1.720380356e+03 1.720380356e+03 1.40 1.570150586e+03 1.570150586e+03 1.42 1.437550181e+03 1.437550181e+03 1.44 1.319575430e+03 1.319575430e+03 1.46 1.213487449e+03 1.213487449e+03 1.48 1.116975315e+03 1.116975315e+03 1.50 1.028229871e+03 1.028229871e+03 1.52 9.459415441e+02 9.459415441e+02 1.54 8.692478084e+02 8.692478084e+02 1.56 7.976422339e+02 7.976422339e+02 1.58 7.308521139e+02 7.308521139e+02 1.60 6.687274193e+02 6.687274193e+02 1.62 6.111595358e+02 6.111595358e+02 1.64 5.580366976e+02 5.580366976e+02 1.66 5.092322861e+02 5.092322861e+02 1.68 4.646028718e+02 4.646028718e+02 1.70 4.239875085e+02 4.239875085e+02 1.72 3.872087238e+02 3.872087238e+02 1.74 3.540740316e+02 3.540740316e+02 1.76 3.243752670e+02 3.243752670e+02 1.78 2.978842215e+02 2.978842215e+02 1.80 2.743462242e+02 2.743462242e+02 1.82 2.534766127e+02 2.534766127e+02 1.84 2.349640786e+02 2.349640786e+02 1.86 2.184812348e+02 2.184812348e+02 1.88 2.037018460e+02 2.037018460e+02 1.90 1.903226490e+02 1.903226490e+02 1.92 1.780832406e+02 1.780832406e+02 1.94 1.667745244e+02 1.667745244e+02 1.96 1.562326578e+02 1.562326578e+02 1.98 1.463304640e+02 1.463304640e+02 2.00 1.369777083e+02 1.369777083e+02 2.02 1.281213145e+02 1.281213145e+02 2.04 1.197354314e+02 1.197354314e+02 2.06 1.118065829e+02 1.118065829e+02 2.08 1.043240369e+02 1.043240369e+02 2.10 9.727660035e+01 9.727660035e+01 2.12 9.065191553e+01 9.065191553e+01 2.14 8.443632721e+01 8.443632721e+01 2.16 7.861483353e+01 7.861483353e+01 2.18 7.317108635e+01 7.317108635e+01 2.20 6.808745753e+01 6.808745753e+01 2.22 6.334518280e+01 6.334518280e+01 2.24 5.892458712e+01 5.892458712e+01 2.26 5.480538249e+01 5.480538249e+01 2.28 5.096700853e+01 5.096700853e+01 2.30 4.738896557e+01 4.738896557e+01 2.32 4.405108025e+01 4.405108025e+01 2.34 4.093366671e+01 4.093366671e+01 2.36 3.801761571e+01 3.801761571e+01 2.38 3.528453154e+01 3.528453154e+01 2.40 3.271705069e+01 3.271705069e+01 2.42 3.029934386e+01 3.029934386e+01 2.44 2.801762999e+01 2.801762999e+01 2.46 2.586049161e+01 2.586049161e+01 2.48 2.381884431e+01 2.381884431e+01 2.50 2.188551890e+01 2.188551890e+01 2.52 2.005458806e+01 2.005458806e+01 2.54 1.832073946e+01 1.832073946e+01 2.56 1.667897747e+01 1.667897747e+01 2.58 1.512466489e+01 1.512466489e+01 2.60 1.365368793e+01 1.365368793e+01 2.62 1.226259062e+01 1.226259062e+01 2.64 1.094864174e+01 1.094864174e+01 2.66 9.709811287e+00 9.709811287e+00 2.68 8.544641275e+00 8.544641275e+00 2.70 7.452030588e+00 7.452030588e+00 2.72 6.430998195e+00 6.430998195e+00 2.74 5.480507570e+00 5.480507570e+00 2.76 4.599392502e+00 4.599392502e+00 2.78 3.786348676e+00 3.786348676e+00 2.80 3.039934576e+00 3.039934576e+00 2.82 2.358565436e+00 2.358565436e+00 2.84 1.740505759e+00 1.740505759e+00 2.86 1.183862927e+00 1.183862927e+00 2.88 6.865823274e-01 6.865823274e-01 2.90 2.464442936e-01 2.464442936e-01 2.92 -1.389367998e-01 -1.389367998e-01 2.94 -4.721109359e-01 -4.721109359e-01 2.96 -7.557879607e-01 -7.557879607e-01 2.98 -9.928298015e-01 -9.928298015e-01 3.00 -1.186238998e+00 -1.186238998e+00 3.02 -1.339143165e+00 -1.339143165e+00 3.04 -1.454775051e+00 -1.454775051e+00 3.06 -1.536447926e+00 -1.536447926e+00 3.08 -1.587526162e+00 -1.587526162e+00 3.10 -1.611391067e+00 -1.611391067e+00 3.12 -1.611402271e+00 -1.611402271e+00 3.14 -1.590855364e+00 -1.590855364e+00 3.16 -1.552936962e+00 -1.552936962e+00 3.18 -1.500678981e+00 -1.500678981e+00 3.20 -1.436914680e+00 -1.436914680e+00 3.22 -1.364239817e+00 -1.364239817e+00 3.24 -1.284983013e+00 -1.284983013e+00 3.26 -1.201189760e+00 -1.201189760e+00 3.28 -1.114624006e+00 -1.114624006e+00 3.30 -1.026789220e+00 -1.026789220e+00 3.32 -9.389666972e-01 -9.389666972e-01 3.34 -8.522627703e-01 -8.522627703e-01 3.36 -7.676506600e-01 -7.676506600e-01 3.38 -6.859916592e-01 -6.859916592e-01 3.40 -6.080297430e-01 -6.080297430e-01 3.42 -5.343716307e-01 -5.343716307e-01 3.44 -4.654746561e-01 -4.654746561e-01 3.46 -4.016532418e-01 -4.016532418e-01 3.48 -3.430974566e-01 -3.430974566e-01 3.50 -2.898949287e-01 -2.898949287e-01 3.52 -2.420511045e-01 -2.420511045e-01 3.54 -1.995039250e-01 -1.995039250e-01 3.56 -1.621301077e-01 -1.621301077e-01 3.58 -1.297431859e-01 -1.297431859e-01 3.60 -1.020878755e-01 -1.020878755e-01 3.62 -7.883882329e-02 -7.883882329e-02 3.64 -5.961075856e-02 -5.961075856e-02 3.66 -4.398062257e-02 -4.398062257e-02 3.68 -3.151514471e-02 -3.151514471e-02 3.70 -2.179490142e-02 -2.179490142e-02 3.72 -1.442763390e-02 -1.442763390e-02 3.74 -9.047865543e-03 -9.047865543e-03 3.76 -5.307006055e-03 -5.307006055e-03 3.78 -2.865016489e-03 -2.865016489e-03 3.80 -1.394013410e-03 -1.394013410e-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 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