# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Ward-D-K-Zhou-X-W-Wong-B-M-et-al--Cd-Te-Zn # implementation = 2012--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = Cd2TeZn # 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 2.00 2.716847494e+01 2.716847494e+01 2.02 2.527460063e+01 2.527460063e+01 2.04 2.349651412e+01 2.349651412e+01 2.06 2.182739206e+01 2.182739206e+01 2.08 2.026066095e+01 2.026066095e+01 2.10 1.878987362e+01 1.878987362e+01 2.12 1.740873307e+01 1.740873307e+01 2.14 1.611143347e+01 1.611143347e+01 2.16 1.489291516e+01 1.489291516e+01 2.18 1.374810236e+01 1.374810236e+01 2.20 1.267408188e+01 1.267408188e+01 2.22 1.166621566e+01 1.166621566e+01 2.24 1.072058901e+01 1.072058901e+01 2.26 9.833598428e+00 9.833598428e+00 2.28 9.001879842e+00 9.001879842e+00 2.30 8.222325850e+00 8.222325850e+00 2.32 7.492096305e+00 7.492096305e+00 2.34 6.808581472e+00 6.808581472e+00 2.36 6.169293963e+00 6.169293963e+00 2.38 5.571772936e+00 5.571772936e+00 2.40 5.013569914e+00 5.013569914e+00 2.42 4.492348688e+00 4.492348688e+00 2.44 4.006016095e+00 4.006016095e+00 2.46 3.552669139e+00 3.552669139e+00 2.48 3.130494437e+00 3.130494437e+00 2.50 2.737753254e+00 2.737753254e+00 2.52 2.372774646e+00 2.372774646e+00 2.54 2.033960599e+00 2.033960599e+00 2.56 1.719799499e+00 1.719799499e+00 2.58 1.428899715e+00 1.428899715e+00 2.60 1.159818748e+00 1.159818748e+00 2.62 9.113786434e-01 9.113786434e-01 2.64 6.818947693e-01 6.818947693e-01 2.66 4.703172128e-01 4.703172128e-01 2.68 2.753139528e-01 2.753139528e-01 2.70 9.571039864e-02 9.571039864e-02 2.72 -6.939440700e-02 -6.939440700e-02 2.74 -2.210340891e-01 -2.210340891e-01 2.76 -3.596178419e-01 -3.596178419e-01 2.78 -4.859514801e-01 -4.859514801e-01 2.80 -6.007769462e-01 -6.007769462e-01 2.82 -7.047985883e-01 -7.047985883e-01 2.84 -7.986849834e-01 -7.986849834e-01 2.86 -8.830705391e-01 -8.830705391e-01 2.88 -9.585568854e-01 -9.585568854e-01 2.90 -1.025714550e+00 -1.025714550e+00 2.92 -1.085084150e+00 -1.085084150e+00 2.94 -1.137177948e+00 -1.137177948e+00 2.96 -1.182481023e+00 -1.182481023e+00 2.98 -1.221452504e+00 -1.221452504e+00 3.00 -1.254526845e+00 -1.254526845e+00 3.02 -1.282114852e+00 -1.282114852e+00 3.04 -1.304604787e+00 -1.304604787e+00 3.06 -1.322363477e+00 -1.322363477e+00 3.08 -1.335737266e+00 -1.335737266e+00 3.10 -1.345052976e+00 -1.345052976e+00 3.12 -1.350618864e+00 -1.350618864e+00 3.14 -1.352725487e+00 -1.352725487e+00 3.16 -1.351646594e+00 -1.351646594e+00 3.18 -1.347639952e+00 -1.347639952e+00 3.20 -1.340948178e+00 -1.340948178e+00 3.22 -1.331799530e+00 -1.331799530e+00 3.24 -1.320408697e+00 -1.320408697e+00 3.26 -1.306977595e+00 -1.306977595e+00 3.28 -1.291696105e+00 -1.291696105e+00 3.30 -1.274742895e+00 -1.274742895e+00 3.32 -1.256286163e+00 -1.256286163e+00 3.34 -1.236484433e+00 -1.236484433e+00 3.36 -1.215487355e+00 -1.215487355e+00 3.38 -1.193436517e+00 -1.193436517e+00 3.40 -1.170466213e+00 -1.170466213e+00 3.42 -1.146704263e+00 -1.146704263e+00 3.44 -1.122272755e+00 -1.122272755e+00 3.46 -1.097288712e+00 -1.097288712e+00 3.48 -1.071864628e+00 -1.071864628e+00 3.50 -1.046108808e+00 -1.046108808e+00 3.52 -1.020125346e+00 -1.020125346e+00 3.54 -9.940136845e-01 -9.940136845e-01 3.56 -9.678676060e-01 -9.678676060e-01 3.58 -9.417735833e-01 -9.417735833e-01 3.60 -9.158085995e-01 -9.158085995e-01 3.62 -8.900377318e-01 -8.900377318e-01 3.64 -8.645121057e-01 -8.645121057e-01 3.66 -8.392679795e-01 -8.392679795e-01 3.68 -8.143274409e-01 -8.143274409e-01 3.70 -7.897007069e-01 -7.897007069e-01 3.72 -7.653500489e-01 -7.653500489e-01 3.74 -7.413756998e-01 -7.413756998e-01 3.76 -7.176948013e-01 -7.176948013e-01 3.78 -6.942997891e-01 -6.942997891e-01 3.80 -6.712195622e-01 -6.712195622e-01 3.82 -6.484161967e-01 -6.484161967e-01 3.84 -6.258938538e-01 -6.258938538e-01 3.86 -6.036647316e-01 -6.036647316e-01 3.88 -5.817414740e-01 -5.817414740e-01 3.90 -5.601386144e-01 -5.601386144e-01 3.92 -5.388742298e-01 -5.388742298e-01 3.94 -5.179716492e-01 -5.179716492e-01 3.96 -4.974609446e-01 -4.974609446e-01 3.98 -4.773796894e-01 -4.773796894e-01 4.00 -4.577723084e-01 -4.577723084e-01 4.02 -4.386872965e-01 -4.386872965e-01 4.04 -4.201717215e-01 -4.201717215e-01 4.06 -4.022632186e-01 -4.022632186e-01 4.08 -3.849808096e-01 -3.849808096e-01 4.10 -3.683174718e-01 -3.683174718e-01 4.12 -3.519267292e-01 -3.519267292e-01 4.14 -3.366160186e-01 -3.366160186e-01 4.16 -3.216336910e-01 -3.216336910e-01 4.18 -3.069770604e-01 -3.069770604e-01 4.20 -2.926390126e-01 -2.926390126e-01 4.22 -2.786086550e-01 -2.786086550e-01 4.24 -2.648746796e-01 -2.648746796e-01 4.26 -2.514255488e-01 -2.514255488e-01 4.28 -2.382497203e-01 -2.382497203e-01 4.30 -2.253359032e-01 -2.253359032e-01 4.32 -2.126733565e-01 -2.126733565e-01 4.34 -2.002522324e-01 -2.002522324e-01 4.36 -1.880639663e-01 -1.880639663e-01 4.38 -1.761017214e-01 -1.761017214e-01 4.40 -1.643608811e-01 -1.643608811e-01 4.42 -1.528395884e-01 -1.528395884e-01 4.44 -1.415393263e-01 -1.415393263e-01 4.46 -1.304655156e-01 -1.304655156e-01 4.48 -1.196281094e-01 -1.196281094e-01 4.50 -1.090421469e-01 -1.090421469e-01 4.52 -9.872820839e-02 -9.872820839e-02 4.54 -8.871271141e-02 -8.871271141e-02 4.56 -7.902795233e-02 -7.902795233e-02 4.58 -6.971180051e-02 -6.971180051e-02 4.60 -6.080692186e-02 -6.080692186e-02 4.62 -5.235942046e-02 -5.235942046e-02 4.64 -4.441679478e-02 -4.441679478e-02 4.66 -3.702516365e-02 -3.702516365e-02 4.68 -3.022585218e-02 -3.022585218e-02 4.70 -2.405177482e-02 -2.405177482e-02 4.72 -1.852486173e-02 -1.852486173e-02 4.74 -1.365764704e-02 -1.365764704e-02 4.76 -9.465072410e-03 -9.465072410e-03 4.78 -5.991010165e-03 -5.991010165e-03 4.80 -3.326570595e-03 -3.326570595e-03 4.82 -1.546987808e-03 -1.546987808e-03 4.84 2.551395473e-05 2.551395473e-05 4.86 1.264844911e-05 1.264844911e-05 4.88 4.612654695e-06 4.612654695e-06 4.90 7.593686627e-18 7.598397368e-18 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