# 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 = S2SeZn # 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 1.616360835e+04 1.616360835e+04 0.96 1.420735785e+04 1.420735785e+04 0.98 1.253205177e+04 1.253205177e+04 1.00 1.109233765e+04 1.109233765e+04 1.02 9.846985405e+03 9.846985405e+03 1.04 8.762954372e+03 8.762954372e+03 1.06 7.814209780e+03 7.814209780e+03 1.08 6.978522168e+03 6.978522168e+03 1.10 6.238419167e+03 6.238419167e+03 1.12 5.580382837e+03 5.580382837e+03 1.14 4.993349220e+03 4.993349220e+03 1.16 4.468686318e+03 4.468686318e+03 1.18 3.999534512e+03 3.999534512e+03 1.20 3.580137086e+03 3.580137086e+03 1.22 3.205839054e+03 3.205839054e+03 1.24 2.873158058e+03 2.873158058e+03 1.26 2.579303438e+03 2.579303438e+03 1.28 2.321359564e+03 2.321359564e+03 1.30 2.095815512e+03 2.095815512e+03 1.32 1.898577070e+03 1.898577070e+03 1.34 1.725235387e+03 1.725235387e+03 1.36 1.571547037e+03 1.571547037e+03 1.38 1.433983463e+03 1.433983463e+03 1.40 1.309972808e+03 1.309972808e+03 1.42 1.197616237e+03 1.197616237e+03 1.44 1.095301803e+03 1.095301803e+03 1.46 1.001628335e+03 1.001628335e+03 1.48 9.154781813e+02 9.154781813e+02 1.50 8.360386651e+02 8.360386651e+02 1.52 7.627669937e+02 7.627669937e+02 1.54 6.953380004e+02 6.953380004e+02 1.56 6.335427261e+02 6.335427261e+02 1.58 5.771760718e+02 5.771760718e+02 1.60 5.259930774e+02 5.259930774e+02 1.62 4.797058897e+02 4.797058897e+02 1.64 4.379887139e+02 4.379887139e+02 1.66 4.004872022e+02 4.004872022e+02 1.68 3.668315177e+02 3.668315177e+02 1.70 3.366499988e+02 3.366499988e+02 1.72 3.095789499e+02 3.095789499e+02 1.74 2.852678555e+02 2.852678555e+02 1.76 2.633863418e+02 2.633863418e+02 1.78 2.436348292e+02 2.436348292e+02 1.80 2.257493695e+02 2.257493695e+02 1.82 2.094966002e+02 2.094966002e+02 1.84 1.946647120e+02 1.946647120e+02 1.86 1.810547483e+02 1.810547483e+02 1.88 1.684781637e+02 1.684781637e+02 1.90 1.567661831e+02 1.567661831e+02 1.92 1.457842065e+02 1.457842065e+02 1.94 1.354400398e+02 1.354400398e+02 1.96 1.256795679e+02 1.256795679e+02 1.98 1.164726500e+02 1.164726500e+02 2.00 1.077995610e+02 1.077995610e+02 2.02 9.964375126e+01 9.964375126e+01 2.04 9.198954383e+01 9.198954383e+01 2.06 8.482205738e+01 8.482205738e+01 2.08 7.812723511e+01 7.812723511e+01 2.10 7.189135227e+01 7.189135227e+01 2.12 6.610009193e+01 6.610009193e+01 2.14 6.073760304e+01 6.073760304e+01 2.16 5.578593796e+01 5.578593796e+01 2.18 5.122485804e+01 5.122485804e+01 2.20 4.703179398e+01 4.703179398e+01 2.22 4.318189933e+01 4.318189933e+01 2.24 3.964823287e+01 3.964823287e+01 2.26 3.640211896e+01 3.640211896e+01 2.28 3.341373844e+01 3.341373844e+01 2.30 3.065299394e+01 3.065299394e+01 2.32 2.809065971e+01 2.809065971e+01 2.34 2.569975339e+01 2.569975339e+01 2.36 2.345694889e+01 2.345694889e+01 2.38 2.134370923e+01 2.134370923e+01 2.40 1.934673584e+01 1.934673584e+01 2.42 1.745745401e+01 1.745745401e+01 2.44 1.567068619e+01 1.567068619e+01 2.46 1.398319482e+01 1.398319482e+01 2.48 1.239277279e+01 1.239277279e+01 2.50 1.089784059e+01 1.089784059e+01 2.52 9.497125525e+00 9.497125525e+00 2.54 8.189360086e+00 8.189360086e+00 2.56 6.973118285e+00 6.973118285e+00 2.58 5.846782471e+00 5.846782471e+00 2.60 4.808547129e+00 4.808547129e+00 2.62 3.856412707e+00 3.856412707e+00 2.64 2.988174959e+00 2.988174959e+00 2.66 2.201415764e+00 2.201415764e+00 2.68 1.493496468e+00 1.493496468e+00 2.70 8.615542735e-01 8.615542735e-01 2.72 3.025022698e-01 3.025022698e-01 2.74 -1.869662612e-01 -1.869662612e-01 2.76 -6.103685935e-01 -6.103685935e-01 2.78 -9.714176689e-01 -9.714176689e-01 2.80 -1.274000915e+00 -1.274000915e+00 2.82 -1.522152184e+00 -1.522152184e+00 2.84 -1.720016406e+00 -1.720016406e+00 2.86 -1.871806832e+00 -1.871806832e+00 2.88 -1.981755216e+00 -1.981755216e+00 2.90 -2.054056013e+00 -2.054056013e+00 2.92 -2.092806671e+00 -2.092806671e+00 2.94 -2.101947500e+00 -2.101947500e+00 2.96 -2.085206298e+00 -2.085206298e+00 2.98 -2.046054728e+00 -2.046054728e+00 3.00 -1.987684825e+00 -1.987684825e+00 3.02 -1.913013834e+00 -1.913013834e+00 3.04 -1.824722157e+00 -1.824722157e+00 3.06 -1.725320848e+00 -1.725320848e+00 3.08 -1.617231584e+00 -1.617231584e+00 3.10 -1.502848343e+00 -1.502848343e+00 3.12 -1.384548331e+00 -1.384548331e+00 3.14 -1.264643067e+00 -1.264643067e+00 3.16 -1.145299842e+00 -1.145299842e+00 3.18 -1.028476359e+00 -1.028476359e+00 3.20 -9.158801362e-01 -9.158801362e-01 3.22 -8.089406054e-01 -8.089406054e-01 3.24 -7.087879921e-01 -7.087879921e-01 3.26 -6.162400166e-01 -6.162400166e-01 3.28 -5.317986579e-01 -5.317986579e-01 3.30 -4.556593118e-01 -4.556593118e-01 3.32 -3.877344305e-01 -3.877344305e-01 3.34 -3.276929375e-01 -3.276929375e-01 3.36 -2.750150595e-01 -2.750150595e-01 3.38 -2.290594379e-01 -2.290594379e-01 3.40 -1.891355898e-01 -1.891355898e-01 3.42 -1.545709153e-01 -1.545709153e-01 3.44 -1.247597774e-01 -1.247597774e-01 3.46 -9.918578376e-02 -9.918578376e-02 3.48 -7.741838750e-02 -7.741838750e-02 3.50 -5.909586797e-02 -5.909586797e-02 3.52 -4.390745959e-02 -4.390745959e-02 3.54 -3.157588392e-02 -3.157588392e-02 3.56 -2.183504086e-02 -2.183504086e-02 3.58 -1.440590126e-02 -1.440590126e-02 3.60 -8.981349037e-03 -8.981349037e-03 3.62 -5.226779321e-03 -5.226779321e-03 3.64 -2.794106842e-03 -2.794106842e-03 3.66 -1.342854912e-03 -1.342854912e-03 3.68 -5.633751052e-04 -5.633751052e-04 3.70 -1.979433400e-04 -1.979433400e-04 3.72 -5.483852137e-05 -5.483852137e-05 3.74 -1.093647388e-05 -1.093647388e-05 3.76 -1.358863274e-06 -1.358863274e-06 3.78 -8.244301285e-08 -8.244301285e-08 3.80 -1.564023127e-09 -1.564023127e-09 3.82 -3.727576534e-12 -3.727576534e-12 3.84 -1.232725013e-16 -1.232725013e-16 3.86 -4.989285977e-26 -4.989285977e-26 3.88 -3.316719950e-58 -3.316719950e-58 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 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 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