# 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 = Cd2HgS # 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 1.193819745e+04 1.193819745e+04 0.96 1.048951795e+04 1.048951795e+04 0.98 9.242518348e+03 9.242518348e+03 1.00 8.169451629e+03 8.169451629e+03 1.02 7.243949352e+03 7.243949352e+03 1.04 6.440598367e+03 6.440598367e+03 1.06 5.735424779e+03 5.735424779e+03 1.08 5.109235583e+03 5.109235583e+03 1.10 4.551304003e+03 4.551304003e+03 1.12 4.055720114e+03 4.055720114e+03 1.14 3.617535601e+03 3.617535601e+03 1.16 3.231727034e+03 3.231727034e+03 1.18 2.892552582e+03 2.892552582e+03 1.20 2.593709430e+03 2.593709430e+03 1.22 2.329422158e+03 2.329422158e+03 1.24 2.095577164e+03 2.095577164e+03 1.26 1.889341752e+03 1.889341752e+03 1.28 1.708013994e+03 1.708013994e+03 1.30 1.548767175e+03 1.548767175e+03 1.32 1.408714245e+03 1.408714245e+03 1.34 1.285005693e+03 1.285005693e+03 1.36 1.175064612e+03 1.175064612e+03 1.38 1.076776319e+03 1.076776319e+03 1.40 9.883824077e+02 9.883824077e+02 1.42 9.082202442e+02 9.082202442e+02 1.44 8.346971123e+02 8.346971123e+02 1.46 7.665431939e+02 7.665431939e+02 1.48 7.030073464e+02 7.030073464e+02 1.50 6.437136623e+02 6.437136623e+02 1.52 5.884305298e+02 5.884305298e+02 1.54 5.369926777e+02 5.369926777e+02 1.56 4.892744901e+02 4.892744901e+02 1.58 4.451597448e+02 4.451597448e+02 1.60 4.045199619e+02 4.045199619e+02 1.62 3.672124931e+02 3.672124931e+02 1.64 3.330863448e+02 3.330863448e+02 1.66 3.019877376e+02 3.019877376e+02 1.68 2.737629294e+02 2.737629294e+02 1.70 2.482582323e+02 2.482582323e+02 1.72 2.253191896e+02 2.253191896e+02 1.74 2.047900113e+02 2.047900113e+02 1.76 1.865129092e+02 1.865129092e+02 1.78 1.703246197e+02 1.703246197e+02 1.80 1.560461862e+02 1.560461862e+02 1.82 1.434716178e+02 1.434716178e+02 1.84 1.323663940e+02 1.323663940e+02 1.86 1.224783704e+02 1.224783704e+02 1.88 1.135600794e+02 1.135600794e+02 1.90 1.053994979e+02 1.053994979e+02 1.92 9.784648713e+01 9.784648713e+01 1.94 9.081441143e+01 9.081441143e+01 1.96 8.425377204e+01 8.425377204e+01 1.98 7.812773066e+01 7.812773066e+01 2.00 7.240669332e+01 7.240669332e+01 2.02 6.706880030e+01 6.706880030e+01 2.04 6.209853763e+01 6.209853763e+01 2.06 5.748342576e+01 5.748342576e+01 2.08 5.321087488e+01 5.321087488e+01 2.10 4.926675408e+01 4.926675408e+01 2.12 4.563509689e+01 4.563509689e+01 2.14 4.229805735e+01 4.229805735e+01 2.16 3.923594272e+01 3.923594272e+01 2.18 3.642734495e+01 3.642734495e+01 2.20 3.384940167e+01 3.384940167e+01 2.22 3.147821698e+01 3.147821698e+01 2.24 2.928946314e+01 2.928946314e+01 2.26 2.725916188e+01 2.725916188e+01 2.28 2.536460392e+01 2.536460392e+01 2.30 2.358530908e+01 2.358530908e+01 2.32 2.190387084e+01 2.190387084e+01 2.34 2.030650272e+01 2.030650272e+01 2.36 1.878315110e+01 1.878315110e+01 2.38 1.732717214e+01 1.732717214e+01 2.40 1.593470765e+01 1.593470765e+01 2.42 1.460390640e+01 1.460390640e+01 2.44 1.333407344e+01 1.333407344e+01 2.46 1.212491840e+01 1.212491840e+01 2.48 1.097615355e+01 1.097615355e+01 2.50 9.887415733e+00 9.887415733e+00 2.52 8.858270547e+00 8.858270547e+00 2.54 7.888204156e+00 7.888204156e+00 2.56 6.976610785e+00 6.976610785e+00 2.58 6.122780184e+00 6.122780184e+00 2.60 5.325885370e+00 5.325885370e+00 2.62 4.584970833e+00 4.584970833e+00 2.64 3.898941464e+00 3.898941464e+00 2.66 3.266552516e+00 3.266552516e+00 2.68 2.686400963e+00 2.686400963e+00 2.70 2.156918736e+00 2.156918736e+00 2.72 1.676368355e+00 1.676368355e+00 2.74 1.242841617e+00 1.242841617e+00 2.76 8.542620597e-01 8.542620597e-01 2.78 5.083920353e-01 5.083920353e-01 2.80 2.028453086e-01 2.028453086e-01 2.82 -6.489389159e-02 -6.489389159e-02 2.84 -2.974444585e-01 -2.974444585e-01 2.86 -4.974939097e-01 -4.974939097e-01 2.88 -6.677554736e-01 -6.677554736e-01 2.90 -8.109171501e-01 -8.109171501e-01 2.92 -9.295843053e-01 -9.295843053e-01 2.94 -1.026219102e+00 -1.026219102e+00 2.96 -1.103082381e+00 -1.103082381e+00 2.98 -1.162186242e+00 -1.162186242e+00 3.00 -1.205267771e+00 -1.205267771e+00 3.02 -1.233794553e+00 -1.233794553e+00 3.04 -1.249008488e+00 -1.249008488e+00 3.06 -1.252003759e+00 -1.252003759e+00 3.08 -1.243818438e+00 -1.243818438e+00 3.10 -1.225505268e+00 -1.225505268e+00 3.12 -1.198151865e+00 -1.198151865e+00 3.14 -1.162852897e+00 -1.162852897e+00 3.16 -1.120670586e+00 -1.120670586e+00 3.18 -1.072612571e+00 -1.072612571e+00 3.20 -1.019625149e+00 -1.019625149e+00 3.22 -9.625932441e-01 -9.625932441e-01 3.24 -9.023452965e-01 -9.023452965e-01 3.26 -8.396630097e-01 -8.396630097e-01 3.28 -7.752951867e-01 -7.752951867e-01 3.30 -7.099737011e-01 -7.099737011e-01 3.32 -6.444283455e-01 -6.444283455e-01 3.34 -5.793963456e-01 -5.793963456e-01 3.36 -5.156224391e-01 -5.156224391e-01 3.38 -4.538473239e-01 -4.538473239e-01 3.40 -3.947859273e-01 -3.947859273e-01 3.42 -3.391006193e-01 -3.391006193e-01 3.44 -2.873752770e-01 -2.873752770e-01 3.46 -2.400930004e-01 -2.400930004e-01 3.48 -1.976168366e-01 -1.976168366e-01 3.50 -1.601726995e-01 -1.601726995e-01 3.52 -1.278353406e-01 -1.278353406e-01 3.54 -1.005193779e-01 -1.005193779e-01 3.56 -7.797806662e-02 -7.797806662e-02 3.58 -5.981299149e-02 -5.981299149e-02 3.60 -4.549792345e-02 -4.549792345e-02 3.62 -3.441912958e-02 -3.441912958e-02 3.64 -2.593160787e-02 -2.593160787e-02 3.66 -1.942532477e-02 -1.942532477e-02 3.68 -1.438799082e-02 -1.438799082e-02 3.70 -1.044460166e-02 -1.044460166e-02 3.72 -7.356312312e-03 -7.356312312e-03 3.74 -4.979226332e-03 -4.979226332e-03 3.76 -3.210047958e-03 -3.210047958e-03 3.78 -1.951677869e-03 -1.951677869e-03 3.80 -1.105219682e-03 -1.105219682e-03 3.82 -5.735658283e-04 -5.735658283e-04 3.84 -2.669493341e-04 -2.669493341e-04 3.86 -1.081977682e-04 -1.081977682e-04 3.88 -3.665446958e-05 -3.665446958e-05 3.90 -9.783510046e-06 -9.783510046e-06 3.92 -1.883610320e-06 -1.883610320e-06 3.94 -2.278738403e-07 -2.278738403e-07 3.96 -1.378475803e-08 -1.378475803e-08 3.98 -2.774036614e-10 -2.774036614e-10 4.00 -8.302802831e-13 -8.302802831e-13 4.02 -5.850983290e-17 -5.850983290e-17 4.04 -4.601368580e-25 -4.601368580e-25 4.06 -6.938677934e-48 -6.938677934e-48 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 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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