# 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 = SeTeZn2 # 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 1.493666742e+04 1.493666742e+04 0.96 1.311888530e+04 1.311888530e+04 0.98 1.155866669e+04 1.155866669e+04 1.00 1.021500041e+04 1.021500041e+04 1.02 9.054120063e+03 9.054120063e+03 1.04 8.048397773e+03 8.048397773e+03 1.06 7.173951220e+03 7.173951220e+03 1.08 6.408722570e+03 6.408722570e+03 1.10 5.733926756e+03 5.733926756e+03 1.12 5.136865863e+03 5.136865863e+03 1.14 4.608445007e+03 4.608445007e+03 1.16 4.139771228e+03 4.139771228e+03 1.18 3.722243076e+03 3.722243076e+03 1.20 3.348721899e+03 3.348721899e+03 1.22 3.013623926e+03 3.013623926e+03 1.24 2.712515844e+03 2.712515844e+03 1.26 2.442229724e+03 2.442229724e+03 1.28 2.200564973e+03 2.200564973e+03 1.30 1.985500305e+03 1.985500305e+03 1.32 1.794914768e+03 1.794914768e+03 1.34 1.626577875e+03 1.626577875e+03 1.36 1.478085161e+03 1.478085161e+03 1.38 1.346842073e+03 1.346842073e+03 1.40 1.230207925e+03 1.230207925e+03 1.42 1.125705628e+03 1.125705628e+03 1.44 1.031118562e+03 1.031118562e+03 1.46 9.445184253e+02 9.445184253e+02 1.48 8.644182089e+02 8.644182089e+02 1.50 7.899202255e+02 7.899202255e+02 1.52 7.206018993e+02 7.206018993e+02 1.54 6.562456210e+02 6.562456210e+02 1.56 5.967053927e+02 5.967053927e+02 1.58 5.418668516e+02 5.418668516e+02 1.60 4.916115941e+02 4.916115941e+02 1.62 4.457991268e+02 4.457991268e+02 1.64 4.042651630e+02 4.042651630e+02 1.66 3.668237772e+02 3.668237772e+02 1.68 3.332695871e+02 3.332695871e+02 1.70 3.033783860e+02 3.033783860e+02 1.72 2.769050384e+02 2.769050384e+02 1.74 2.535795181e+02 2.535795181e+02 1.76 2.331047191e+02 2.331047191e+02 1.78 2.151594224e+02 2.151594224e+02 1.80 1.994074992e+02 1.994074992e+02 1.82 1.855139391e+02 1.855139391e+02 1.84 1.731648893e+02 1.731648893e+02 1.86 1.620823210e+02 1.620823210e+02 1.88 1.520249293e+02 1.520249293e+02 1.90 1.427818289e+02 1.427818289e+02 1.92 1.341759785e+02 1.341759785e+02 1.94 1.260758482e+02 1.260758482e+02 1.96 1.183989951e+02 1.183989951e+02 1.98 1.111005772e+02 1.111005772e+02 2.00 1.041537989e+02 1.041537989e+02 2.02 9.753704403e+01 9.753704403e+01 2.04 9.123157721e+01 9.123157721e+01 2.06 8.522238492e+01 8.522238492e+01 2.08 7.949854226e+01 7.949854226e+01 2.10 7.405258999e+01 7.405258999e+01 2.12 6.887909163e+01 6.887909163e+01 2.14 6.397312678e+01 6.397312678e+01 2.16 5.932944621e+01 5.932944621e+01 2.18 5.494224035e+01 5.494224035e+01 2.20 5.080508462e+01 5.080508462e+01 2.22 4.691089810e+01 4.691089810e+01 2.24 4.325191451e+01 4.325191451e+01 2.26 3.981967203e+01 3.981967203e+01 2.28 3.660502788e+01 3.660502788e+01 2.30 3.359820488e+01 3.359820488e+01 2.32 3.078887731e+01 3.078887731e+01 2.34 2.816630341e+01 2.816630341e+01 2.36 2.571950854e+01 2.571950854e+01 2.38 2.343751689e+01 2.343751689e+01 2.40 2.130961854e+01 2.130961854e+01 2.42 1.932564238e+01 1.932564238e+01 2.44 1.747618742e+01 1.747618742e+01 2.46 1.575275206e+01 1.575275206e+01 2.48 1.414770937e+01 1.414770937e+01 2.50 1.265412067e+01 1.265412067e+01 2.52 1.126546040e+01 1.126546040e+01 2.54 9.975396719e+00 9.975396719e+00 2.56 8.777750175e+00 8.777750175e+00 2.58 7.666618555e+00 7.666618555e+00 2.60 6.636552772e+00 6.636552772e+00 2.62 5.682701376e+00 5.682701376e+00 2.64 4.800891659e+00 4.800891659e+00 2.66 3.987619575e+00 3.987619575e+00 2.68 3.239932892e+00 3.239932892e+00 2.70 2.555228708e+00 2.555228708e+00 2.72 1.931032607e+00 1.931032607e+00 2.74 1.364845701e+00 1.364845701e+00 2.76 8.541013635e-01 8.541013635e-01 2.78 3.961945403e-01 3.961945403e-01 2.80 -1.147634285e-02 -1.147634285e-02 2.82 -3.714749534e-01 -3.714749534e-01 2.84 -6.862985142e-01 -6.862985142e-01 2.86 -9.583572405e-01 -9.583572405e-01 2.88 -1.189966421e+00 -1.189966421e+00 2.90 -1.383355408e+00 -1.383355408e+00 2.92 -1.540695510e+00 -1.540695510e+00 2.94 -1.664144266e+00 -1.664144266e+00 2.96 -1.755897342e+00 -1.755897342e+00 2.98 -1.818233482e+00 -1.818233482e+00 3.00 -1.853537197e+00 -1.853537197e+00 3.02 -1.864291903e+00 -1.864291903e+00 3.04 -1.853050623e+00 -1.853050623e+00 3.06 -1.822399769e+00 -1.822399769e+00 3.08 -1.774925227e+00 -1.774925227e+00 3.10 -1.713179774e+00 -1.713179774e+00 3.12 -1.639649407e+00 -1.639649407e+00 3.14 -1.556718849e+00 -1.556718849e+00 3.16 -1.466637718e+00 -1.466637718e+00 3.18 -1.371489388e+00 -1.371489388e+00 3.20 -1.273164996e+00 -1.273164996e+00 3.22 -1.173345355e+00 -1.173345355e+00 3.24 -1.073493555e+00 -1.073493555e+00 3.26 -9.748604343e-01 -9.748604343e-01 3.28 -8.785036222e-01 -8.785036222e-01 3.30 -7.853180570e-01 -7.853180570e-01 3.32 -6.960719430e-01 -6.960719430e-01 3.34 -6.114379284e-01 -6.114379284e-01 3.36 -5.320075391e-01 -5.320075391e-01 3.38 -4.582813292e-01 -4.582813292e-01 3.40 -3.906393745e-01 -3.906393745e-01 3.42 -3.293099679e-01 -3.293099679e-01 3.44 -2.743549054e-01 -2.743549054e-01 3.46 -2.256758379e-01 -2.256758379e-01 3.48 -1.830363626e-01 -1.830363626e-01 3.50 -1.460956933e-01 -1.460956933e-01 3.52 -1.144504473e-01 -1.144504473e-01 3.54 -8.767809407e-02 -8.767809407e-02 3.56 -6.537196038e-02 -6.537196038e-02 3.58 -4.715646219e-02 -4.715646219e-02 3.60 -3.267608368e-02 -3.267608368e-02 3.62 -2.156413245e-02 -2.156413245e-02 3.64 -1.341125820e-02 -1.341125820e-02 3.66 -7.754978475e-03 -7.754978475e-03 3.68 -4.095418471e-03 -4.095418471e-03 3.70 -1.927830117e-03 -1.927830117e-03 3.72 -7.819511281e-04 -7.819511281e-04 3.74 -2.603120519e-04 -2.603120519e-04 3.76 -6.614885770e-05 -6.614885770e-05 3.78 -1.146041510e-05 -1.146041510e-05 3.80 -1.123699377e-06 -1.123699377e-06 3.82 -4.481313773e-08 -4.481313773e-08 3.84 -3.804942374e-10 -3.804942374e-10 3.86 -1.590469208e-13 -1.590469208e-13 3.88 -5.083738867e-20 -5.083738867e-20 3.90 -1.248983543e-37 -1.248983543e-37 3.92 -1.231028686e-263 -1.231028686e-263 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 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