# 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 = HgSe2Zn # 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 1.470319938e+04 1.470319938e+04 0.96 1.290499945e+04 1.290499945e+04 0.98 1.136451105e+04 1.136451105e+04 1.00 1.004635685e+04 1.004635685e+04 1.02 8.915033952e+03 8.915033952e+03 1.04 7.936418485e+03 7.936418485e+03 1.06 7.082698921e+03 7.082698921e+03 1.08 6.333467548e+03 6.333467548e+03 1.10 5.674212056e+03 5.674212056e+03 1.12 5.093321131e+03 5.093321131e+03 1.14 4.579541249e+03 4.579541249e+03 1.16 4.121905117e+03 4.121905117e+03 1.18 3.711025380e+03 3.711025380e+03 1.20 3.340195220e+03 3.340195220e+03 1.22 3.005015302e+03 3.005015302e+03 1.24 2.702675373e+03 2.702675373e+03 1.26 2.431413151e+03 2.431413151e+03 1.28 2.189653465e+03 2.189653465e+03 1.30 1.975507184e+03 1.975507184e+03 1.32 1.786679080e+03 1.786679080e+03 1.34 1.620494016e+03 1.620494016e+03 1.36 1.473976512e+03 1.473976512e+03 1.38 1.344009247e+03 1.344009247e+03 1.40 1.227607413e+03 1.227607413e+03 1.42 1.122247065e+03 1.122247065e+03 1.44 1.026045916e+03 1.026045916e+03 1.46 9.377228008e+02 9.377228008e+02 1.48 8.564456187e+02 8.564456187e+02 1.50 7.816106430e+02 7.816106430e+02 1.52 7.126827613e+02 7.126827613e+02 1.54 6.491809010e+02 6.491809010e+02 1.56 5.907175553e+02 5.907175553e+02 1.58 5.370173583e+02 5.370173583e+02 1.60 4.878898682e+02 4.878898682e+02 1.62 4.431728061e+02 4.431728061e+02 1.64 4.026913286e+02 4.026913286e+02 1.66 3.662465090e+02 3.662465090e+02 1.68 3.336133144e+02 3.336133144e+02 1.70 3.045400178e+02 3.045400178e+02 1.72 2.787496793e+02 2.787496793e+02 1.74 2.559433028e+02 2.559433028e+02 1.76 2.358034192e+02 2.358034192e+02 1.78 2.179983073e+02 2.179983073e+02 1.80 2.021898410e+02 2.021898410e+02 1.82 1.880492783e+02 1.880492783e+02 1.84 1.752797051e+02 1.752797051e+02 1.86 1.636341821e+02 1.636341821e+02 1.88 1.529183544e+02 1.529183544e+02 1.90 1.429812002e+02 1.429812002e+02 1.92 1.337090381e+02 1.337090381e+02 1.94 1.250223032e+02 1.250223032e+02 1.96 1.168650586e+02 1.168650586e+02 1.98 1.091925684e+02 1.091925684e+02 2.00 1.019667356e+02 1.019667356e+02 2.02 9.515674628e+01 9.515674628e+01 2.04 8.873925972e+01 8.873925972e+01 2.06 8.269691459e+01 8.269691459e+01 2.08 7.701589454e+01 7.701589454e+01 2.10 7.168383350e+01 7.168383350e+01 2.12 6.668852978e+01 6.668852978e+01 2.14 6.201714286e+01 6.201714286e+01 2.16 5.765578672e+01 5.765578672e+01 2.18 5.358945997e+01 5.358945997e+01 2.20 4.980211411e+01 4.980211411e+01 2.22 4.627678970e+01 4.627678970e+01 2.24 4.299582231e+01 4.299582231e+01 2.26 3.994111275e+01 3.994111275e+01 2.28 3.709443850e+01 3.709443850e+01 2.30 3.443776683e+01 3.443776683e+01 2.32 3.195352283e+01 3.195352283e+01 2.34 2.962478554e+01 2.962478554e+01 2.36 2.743544198e+01 2.743544198e+01 2.38 2.537039753e+01 2.537039753e+01 2.40 2.341594367e+01 2.341594367e+01 2.42 2.156026359e+01 2.156026359e+01 2.44 1.979390864e+01 1.979390864e+01 2.46 1.811004816e+01 1.811004816e+01 2.48 1.650435489e+01 1.650435489e+01 2.50 1.497449027e+01 1.497449027e+01 2.52 1.351932580e+01 1.351932580e+01 2.54 1.213820035e+01 1.213820035e+01 2.56 1.083048889e+01 1.083048889e+01 2.58 9.595492181e+00 9.595492181e+00 2.60 8.432444806e+00 8.432444806e+00 2.62 7.340515691e+00 7.340515691e+00 2.64 6.318798442e+00 6.318798442e+00 2.66 5.366300811e+00 5.366300811e+00 2.68 4.481934487e+00 4.481934487e+00 2.70 3.664505294e+00 3.664505294e+00 2.72 2.912703935e+00 2.912703935e+00 2.74 2.225097413e+00 2.225097413e+00 2.76 1.600121281e+00 1.600121281e+00 2.78 1.036072923e+00 1.036072923e+00 2.80 5.311060559e-01 5.311060559e-01 2.82 8.322669231e-02 8.322669231e-02 2.84 -3.097091975e-01 -3.097091975e-01 2.86 -6.499960510e-01 -6.499960510e-01 2.88 -9.400768342e-01 -9.400768342e-01 2.90 -1.182538640e+00 -1.182538640e+00 2.92 -1.380105490e+00 -1.380105490e+00 2.94 -1.535628099e+00 -1.535628099e+00 2.96 -1.652070395e+00 -1.652070395e+00 2.98 -1.732492663e+00 -1.732492663e+00 3.00 -1.780031284e+00 -1.780031284e+00 3.02 -1.797875176e+00 -1.797875176e+00 3.04 -1.789239227e+00 -1.789239227e+00 3.06 -1.757335247e+00 -1.757335247e+00 3.08 -1.705341225e+00 -1.705341225e+00 3.10 -1.636370005e+00 -1.636370005e+00 3.12 -1.553438770e+00 -1.553438770e+00 3.14 -1.459440991e+00 -1.459440991e+00 3.16 -1.357122554e+00 -1.357122554e+00 3.18 -1.249063565e+00 -1.249063565e+00 3.20 -1.137666565e+00 -1.137666565e+00 3.22 -1.025150555e+00 -1.025150555e+00 3.24 -9.135482633e-01 -9.135482633e-01 3.26 -8.047021433e-01 -8.047021433e-01 3.28 -7.002538884e-01 -7.002538884e-01 3.30 -6.016244672e-01 -6.016244672e-01 3.32 -5.099872505e-01 -5.099872505e-01 3.34 -4.262423621e-01 -4.262423621e-01 3.36 -3.510002480e-01 -3.510002480e-01 3.38 -2.845768720e-01 -2.845768720e-01 3.40 -2.269997423e-01 -2.269997423e-01 3.42 -1.780250750e-01 -1.780250750e-01 3.44 -1.371673230e-01 -1.371673230e-01 3.46 -1.037419327e-01 -1.037419327e-01 3.48 -7.692098131e-02 -7.692098131e-02 3.50 -5.579914612e-02 -5.579914612e-02 3.52 -3.946415696e-02 -3.946415696e-02 3.54 -2.706195512e-02 -2.706195512e-02 3.56 -1.784387104e-02 -1.784387104e-02 3.58 -1.118430632e-02 -1.118430632e-02 3.60 -6.565929080e-03 -6.565929080e-03 3.62 -3.544701336e-03 -3.544701336e-03 3.64 -1.719622120e-03 -1.719622120e-03 3.66 -7.269927115e-04 -7.269927115e-04 3.68 -2.565298598e-04 -2.565298598e-04 3.70 -7.092453400e-05 -7.092453400e-05 3.72 -1.394863228e-05 -1.394863228e-05 3.74 -1.670354468e-06 -1.670354468e-06 3.76 -9.323618252e-08 -9.323618252e-08 3.78 -1.469686594e-09 -1.469686594e-09 3.80 -2.260383407e-12 -2.260383407e-12 3.82 -2.240201171e-17 -2.240201171e-17 3.84 -9.263858034e-29 -9.263858034e-29 3.86 -3.736128518e-80 -3.736128518e-80 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 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 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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