# 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 = CdTeZn2 # 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 1.761560741e+01 1.761560741e+01 2.02 1.627918933e+01 1.627918933e+01 2.04 1.502477808e+01 1.502477808e+01 2.06 1.384757705e+01 1.384757705e+01 2.08 1.274290638e+01 1.274290638e+01 2.10 1.170615331e+01 1.170615331e+01 2.12 1.073287728e+01 1.073287728e+01 2.14 9.819134866e+00 9.819134866e+00 2.16 8.962059689e+00 8.962059689e+00 2.18 8.158375358e+00 8.158375358e+00 2.20 7.406771125e+00 7.406771125e+00 2.22 6.704302462e+00 6.704302462e+00 2.24 6.048106752e+00 6.048106752e+00 2.26 5.435387679e+00 5.435387679e+00 2.28 4.863495096e+00 4.863495096e+00 2.30 4.330187576e+00 4.330187576e+00 2.32 3.833155349e+00 3.833155349e+00 2.34 3.370696592e+00 3.370696592e+00 2.36 2.941154055e+00 2.941154055e+00 2.38 2.542761888e+00 2.542761888e+00 2.40 2.173572915e+00 2.173572915e+00 2.42 1.831717642e+00 1.831717642e+00 2.44 1.515480152e+00 1.515480152e+00 2.46 1.223378725e+00 1.223378725e+00 2.48 9.539306693e-01 9.539306693e-01 2.50 7.058088233e-01 7.058088233e-01 2.52 4.778245706e-01 4.778245706e-01 2.54 2.688381813e-01 2.688381813e-01 2.56 7.774745209e-02 7.774745209e-02 2.58 -9.652525738e-02 -9.652525738e-02 2.60 -2.550460209e-01 -2.550460209e-01 2.62 -3.988099763e-01 -3.988099763e-01 2.64 -5.290522971e-01 -5.290522971e-01 2.66 -6.466321120e-01 -6.466321120e-01 2.68 -7.525071230e-01 -7.525071230e-01 2.70 -8.475074830e-01 -8.475074830e-01 2.72 -9.322607658e-01 -9.322607658e-01 2.74 -1.007578458e+00 -1.007578458e+00 2.76 -1.073691527e+00 -1.073691527e+00 2.78 -1.131230904e+00 -1.131230904e+00 2.80 -1.180773005e+00 -1.180773005e+00 2.82 -1.222865216e+00 -1.222865216e+00 2.84 -1.258026859e+00 -1.258026859e+00 2.86 -1.286750042e+00 -1.286750042e+00 2.88 -1.309500481e+00 -1.309500481e+00 2.90 -1.326718282e+00 -1.326718282e+00 2.92 -1.338818672e+00 -1.338818672e+00 2.94 -1.346192714e+00 -1.346192714e+00 2.96 -1.349208007e+00 -1.349208007e+00 2.98 -1.348209509e+00 -1.348209509e+00 3.00 -1.343520432e+00 -1.343520432e+00 3.02 -1.335443428e+00 -1.335443428e+00 3.04 -1.324262191e+00 -1.324262191e+00 3.06 -1.310243712e+00 -1.310243712e+00 3.08 -1.293641410e+00 -1.293641410e+00 3.10 -1.274699475e+00 -1.274699475e+00 3.12 -1.253658525e+00 -1.253658525e+00 3.14 -1.230762468e+00 -1.230762468e+00 3.16 -1.206265652e+00 -1.206265652e+00 3.18 -1.180438363e+00 -1.180438363e+00 3.20 -1.153567187e+00 -1.153567187e+00 3.22 -1.125945650e+00 -1.125945650e+00 3.24 -1.097851706e+00 -1.097851706e+00 3.26 -1.069513811e+00 -1.069513811e+00 3.28 -1.041077102e+00 -1.041077102e+00 3.30 -1.012590133e+00 -1.012590133e+00 3.32 -9.840289248e-01 -9.840289248e-01 3.34 -9.553520329e-01 -9.553520329e-01 3.36 -9.265231312e-01 -9.265231312e-01 3.38 -8.976727729e-01 -8.976727729e-01 3.40 -8.687814601e-01 -8.687814601e-01 3.42 -8.399658198e-01 -8.399658198e-01 3.44 -8.112845237e-01 -8.112845237e-01 3.46 -7.827893980e-01 -7.827893980e-01 3.48 -7.545257661e-01 -7.545257661e-01 3.50 -7.265327545e-01 -7.265327545e-01 3.52 -6.988436193e-01 -6.988436193e-01 3.54 -6.714860489e-01 -6.714860489e-01 3.56 -6.444824746e-01 -6.444824746e-01 3.58 -6.178503903e-01 -6.178503903e-01 3.60 -5.916026666e-01 -5.916026666e-01 3.62 -5.657479079e-01 -5.657479079e-01 3.64 -5.402908048e-01 -5.402908048e-01 3.66 -5.152325486e-01 -5.152325486e-01 3.68 -4.905712779e-01 -4.905712779e-01 3.70 -4.663025878e-01 -4.663025878e-01 3.72 -4.424201206e-01 -4.424201206e-01 3.74 -4.189162489e-01 -4.189162489e-01 3.76 -3.957828841e-01 -3.957828841e-01 3.78 -3.730123915e-01 -3.730123915e-01 3.80 -3.505986778e-01 -3.505986778e-01 3.82 -3.285384064e-01 -3.285384064e-01 3.84 -3.068323612e-01 -3.068323612e-01 3.86 -2.854869030e-01 -2.854869030e-01 3.88 -2.645154432e-01 -2.645154432e-01 3.90 -2.439398222e-01 -2.439398222e-01 3.92 -2.237914281e-01 -2.237914281e-01 3.94 -2.041119055e-01 -2.041119055e-01 3.96 -1.849533958e-01 -1.849533958e-01 3.98 -1.663784807e-01 -1.663784807e-01 4.00 -1.484602643e-01 -1.484602643e-01 4.02 -1.312830211e-01 -1.312830211e-01 4.04 -1.149428413e-01 -1.149428413e-01 4.06 -9.954558806e-02 -9.954558806e-02 4.08 -8.519786853e-02 -8.519786853e-02 4.10 -7.198939582e-02 -7.198939582e-02 4.12 -5.956781289e-02 -5.956781289e-02 4.14 -4.907116208e-02 -4.907116208e-02 4.16 -3.956105928e-02 -3.956105928e-02 4.18 -3.108335329e-02 -3.108335329e-02 4.20 -2.357862426e-02 -2.357862426e-02 4.22 -1.720595575e-02 -1.720595575e-02 4.24 -1.178403096e-02 -1.178403096e-02 4.26 -7.332572486e-03 -7.332572486e-03 4.28 -3.940167242e-03 -3.940167242e-03 4.30 -1.711749255e-03 -1.711749255e-03 4.32 2.873196014e-05 2.873196014e-05 4.34 1.282685476e-05 1.282685476e-05 4.36 2.939921649e-06 2.939921649e-06 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 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