# 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 = CdSSe2 # 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 1.920542043e+04 1.920542043e+04 0.96 1.686410099e+04 1.686410099e+04 0.98 1.484682327e+04 1.484682327e+04 1.00 1.311473379e+04 1.311473379e+04 1.02 1.162962361e+04 1.162962361e+04 1.04 1.035151981e+04 1.035151981e+04 1.06 9.240698912e+03 9.240698912e+03 1.08 8.264282091e+03 8.264282091e+03 1.10 7.398443089e+03 7.398443089e+03 1.12 6.626524856e+03 6.626524856e+03 1.14 5.937636158e+03 5.937636158e+03 1.16 5.323496477e+03 5.323496477e+03 1.18 4.776266307e+03 4.776266307e+03 1.20 4.288455950e+03 4.288455950e+03 1.22 3.852993712e+03 3.852993712e+03 1.24 3.463661743e+03 3.463661743e+03 1.26 3.115622739e+03 3.115622739e+03 1.28 2.805445830e+03 2.805445830e+03 1.30 2.530569056e+03 2.530569056e+03 1.32 2.288393725e+03 2.288393725e+03 1.34 2.075840333e+03 2.075840333e+03 1.36 1.889378155e+03 1.889378155e+03 1.38 1.725195055e+03 1.725195055e+03 1.40 1.579495337e+03 1.579495337e+03 1.42 1.448910289e+03 1.448910289e+03 1.44 1.330799320e+03 1.330799320e+03 1.46 1.223152185e+03 1.223152185e+03 1.48 1.124324156e+03 1.124324156e+03 1.50 1.032978613e+03 1.032978613e+03 1.52 9.481265961e+02 9.481265961e+02 1.54 8.691244455e+02 8.691244455e+02 1.56 7.955679834e+02 7.955679834e+02 1.58 7.271922018e+02 7.271922018e+02 1.60 6.638196693e+02 6.638196693e+02 1.62 6.053030002e+02 6.053030002e+02 1.64 5.514859813e+02 5.514859813e+02 1.66 5.021967090e+02 5.021967090e+02 1.68 4.572506540e+02 4.572506540e+02 1.70 4.164521339e+02 4.164521339e+02 1.72 3.795925474e+02 3.795925474e+02 1.74 3.464459325e+02 3.464459325e+02 1.76 3.167646329e+02 3.167646329e+02 1.78 2.902781827e+02 2.902781827e+02 1.80 2.666967248e+02 2.666967248e+02 1.82 2.457207951e+02 2.457207951e+02 1.84 2.270540318e+02 2.270540318e+02 1.86 2.104078625e+02 2.104078625e+02 1.88 1.954967774e+02 1.954967774e+02 1.90 1.820403180e+02 1.820403180e+02 1.92 1.697773813e+02 1.697773813e+02 1.94 1.584819386e+02 1.584819386e+02 1.96 1.479732190e+02 1.479732190e+02 1.98 1.381203541e+02 1.381203541e+02 2.00 1.288425981e+02 1.288425981e+02 2.02 1.200996237e+02 1.200996237e+02 2.04 1.118722956e+02 1.118722956e+02 2.06 1.041479543e+02 1.041479543e+02 2.08 9.691477490e+01 9.691477490e+01 2.10 9.015968943e+01 9.015968943e+01 2.12 8.386765789e+01 8.386765789e+01 2.14 7.802146658e+01 7.802146658e+01 2.16 7.260161662e+01 7.260161662e+01 2.18 6.758627196e+01 6.758627196e+01 2.20 6.295129513e+01 6.295129513e+01 2.22 5.867040081e+01 5.867040081e+01 2.24 5.471545846e+01 5.471545846e+01 2.26 5.105697110e+01 5.105697110e+01 2.28 4.766474217e+01 4.766474217e+01 2.30 4.450871379e+01 4.450871379e+01 2.32 4.155991716e+01 4.155991716e+01 2.34 3.879142970e+01 3.879142970e+01 2.36 3.617920525e+01 3.617920525e+01 2.38 3.370266024e+01 3.370266024e+01 2.40 3.134495804e+01 3.134495804e+01 2.42 2.909299247e+01 2.909299247e+01 2.44 2.693711069e+01 2.693711069e+01 2.46 2.487069292e+01 2.487069292e+01 2.48 2.288971263e+01 2.288971263e+01 2.50 2.099218638e+01 2.099218638e+01 2.52 1.917740653e+01 1.917740653e+01 2.54 1.744517611e+01 1.744517611e+01 2.56 1.579534803e+01 1.579534803e+01 2.58 1.422769581e+01 1.422769581e+01 2.60 1.274191276e+01 1.274191276e+01 2.62 1.133760707e+01 1.133760707e+01 2.64 1.001428657e+01 1.001428657e+01 2.66 8.771342172e+00 8.771342172e+00 2.68 7.608031137e+00 7.608031137e+00 2.70 6.523460240e+00 6.523460240e+00 2.72 5.516569144e+00 5.516569144e+00 2.74 4.586114145e+00 4.586114145e+00 2.76 3.730652645e+00 3.730652645e+00 2.78 2.948528738e+00 2.948528738e+00 2.80 2.237860401e+00 2.237860401e+00 2.82 1.596528889e+00 1.596528889e+00 2.84 1.022171039e+00 1.022171039e+00 2.86 5.121753377e-01 5.121753377e-01 2.88 6.368273869e-02 6.368273869e-02 2.90 -3.264066538e-01 -3.264066538e-01 2.92 -6.614197625e-01 -6.614197625e-01 2.94 -9.448882256e-01 -9.448882256e-01 2.96 -1.180516214e+00 -1.180516214e+00 2.98 -1.372137116e+00 -1.372137116e+00 3.00 -1.523658190e+00 -1.523658190e+00 3.02 -1.638993075e+00 -1.638993075e+00 3.04 -1.721983421e+00 -1.721983421e+00 3.06 -1.776313234e+00 -1.776313234e+00 3.08 -1.805422877e+00 -1.805422877e+00 3.10 -1.812434085e+00 -1.812434085e+00 3.12 -1.800101851e+00 -1.800101851e+00 3.14 -1.770811341e+00 -1.770811341e+00 3.16 -1.726633600e+00 -1.726633600e+00 3.18 -1.669437293e+00 -1.669437293e+00 3.20 -1.601024190e+00 -1.601024190e+00 3.22 -1.523228275e+00 -1.523228275e+00 3.24 -1.437927752e+00 -1.437927752e+00 3.26 -1.346984171e+00 -1.346984171e+00 3.28 -1.252177457e+00 -1.252177457e+00 3.30 -1.155171224e+00 -1.155171224e+00 3.32 -1.057493328e+00 -1.057493328e+00 3.34 -9.605205465e-01 -9.605205465e-01 3.36 -8.654667910e-01 -8.654667910e-01 3.38 -7.733757937e-01 -7.733757937e-01 3.40 -6.851191492e-01 -6.851191492e-01 3.42 -6.014003295e-01 -6.014003295e-01 3.44 -5.227648315e-01 -5.227648315e-01 3.46 -4.496158920e-01 -4.496158920e-01 3.48 -3.822342154e-01 -3.822342154e-01 3.50 -3.207990037e-01 -3.207990037e-01 3.52 -2.654065288e-01 -2.654065288e-01 3.54 -2.160821055e-01 -2.160821055e-01 3.56 -1.727823531e-01 -1.727823531e-01 3.58 -1.353876785e-01 -1.353876785e-01 3.60 -1.036895101e-01 -1.036895101e-01 3.62 -7.738063035e-02 -7.738063035e-02 3.64 -5.605648216e-02 -5.605648216e-02 3.66 -3.922970269e-02 -3.922970269e-02 3.68 -2.635399513e-02 -2.635399513e-02 3.70 -1.685161731e-02 -1.685161731e-02 3.72 -1.013981864e-02 -1.013981864e-02 3.74 -5.652910433e-03 -5.652910433e-03 3.76 -2.859086516e-03 -2.859086516e-03 3.78 -1.274817850e-03 -1.274817850e-03 3.80 -4.815773529e-04 -4.815773529e-04 3.82 -1.455561231e-04 -1.455561231e-04 3.84 -3.228709637e-05 -3.228709637e-05 3.86 -4.580933050e-06 -4.580933050e-06 3.88 -3.292778715e-07 -3.292778715e-07 3.90 -7.804639476e-09 -7.804639476e-09 3.92 -2.511210752e-11 -2.511210752e-11 3.94 -1.241810042e-15 -1.241810042e-15 3.96 -7.348174536e-25 -7.348174536e-25 3.98 -1.062858113e-58 -1.062858113e-58 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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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