# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = ClKRb2 # 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 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 1.972669932e+06 1.972669932e+06 1.32 nan nan 1.34 nan nan 1.36 9.883849552e+05 9.883849552e+05 1.38 7.903500060e+05 7.903500060e+05 1.40 6.340303021e+05 6.340303021e+05 1.42 5.102206104e+05 5.102206104e+05 1.44 4.118370813e+05 4.118370813e+05 1.46 3.334079579e+05 3.334079579e+05 1.48 2.706915202e+05 2.706915202e+05 1.50 2.203882322e+05 2.203882322e+05 1.52 1.799222660e+05 1.799222660e+05 1.54 1.472764709e+05 1.472764709e+05 1.56 1.208662301e+05 1.208662301e+05 1.58 9.944230447e+04 9.944230447e+04 1.60 8.201717299e+04 8.201717299e+04 1.62 6.780797525e+04 6.780797525e+04 1.64 5.619193325e+04 5.619193325e+04 1.66 4.667241320e+04 4.667241320e+04 1.68 3.885231575e+04 3.885231575e+04 1.70 3.241330897e+04 3.241330897e+04 1.72 2.709932037e+04 2.709932037e+04 1.74 2.270395287e+04 2.270395287e+04 1.76 1.906048342e+04 1.906048342e+04 1.78 1.603384711e+04 1.603384711e+04 1.80 1.351443697e+04 1.351443697e+04 1.82 1.141289495e+04 1.141289495e+04 1.84 9.656408608e+03 9.656408608e+03 1.86 8.185451932e+03 8.185451932e+03 1.88 6.951252340e+03 6.951252340e+03 1.90 5.913772030e+03 5.913772030e+03 1.92 5.040037015e+03 5.040037015e+03 1.94 4.302876547e+03 4.302876547e+03 1.96 3.679841708e+03 3.679841708e+03 1.98 3.152346010e+03 3.152346010e+03 2.00 2.704978568e+03 2.704978568e+03 2.02 2.324952993e+03 2.324952993e+03 2.04 2.001580079e+03 2.001580079e+03 2.06 1.725971430e+03 1.725971430e+03 2.08 1.490690106e+03 1.490690106e+03 2.10 1.289516976e+03 1.289516976e+03 2.12 1.117237961e+03 1.117237961e+03 2.14 9.694769832e+02 9.694769832e+02 2.16 8.425565242e+02 8.425565242e+02 2.18 7.333763088e+02 7.333763088e+02 2.20 6.393113316e+02 6.393113316e+02 2.22 5.581510987e+02 5.581510987e+02 2.24 4.880251555e+02 4.880251555e+02 2.26 4.273423550e+02 4.273423550e+02 2.28 3.747560363e+02 3.747560363e+02 2.30 3.291213130e+02 3.291213130e+02 2.32 2.894633868e+02 2.894633868e+02 2.34 2.549499890e+02 2.549499890e+02 2.36 2.248737579e+02 2.248737579e+02 2.38 1.986260530e+02 1.986260530e+02 2.40 1.756865962e+02 1.756865962e+02 2.42 1.556099343e+02 1.556099343e+02 2.44 1.380145236e+02 1.380145236e+02 2.46 1.225733643e+02 1.225733643e+02 2.48 1.090033126e+02 1.090033126e+02 2.50 9.705968770e+01 9.705968770e+01 2.52 8.653272165e+01 8.653272165e+01 2.54 7.724145594e+01 7.724145594e+01 2.56 6.902933655e+01 6.902933655e+01 2.58 6.176095555e+01 6.176095555e+01 2.60 5.531877571e+01 5.531877571e+01 2.62 4.960285097e+01 4.960285097e+01 2.64 4.452276047e+01 4.452276047e+01 2.66 4.000168498e+01 4.000168498e+01 2.68 3.597297078e+01 3.597297078e+01 2.70 3.237824872e+01 3.237824872e+01 2.72 2.916651967e+01 2.916651967e+01 2.74 2.629326572e+01 2.629326572e+01 2.76 2.371976860e+01 2.371976860e+01 2.78 2.141197464e+01 2.141197464e+01 2.80 1.934001388e+01 1.934001388e+01 2.82 1.747764091e+01 1.747764091e+01 2.84 1.580170693e+01 1.580170693e+01 2.86 1.429144210e+01 1.429144210e+01 2.88 1.292930007e+01 1.292930007e+01 2.90 1.169979037e+01 1.169979037e+01 2.92 1.058885608e+01 1.058885608e+01 2.94 9.584057210e+00 9.584057210e+00 2.96 8.674375961e+00 8.674375961e+00 2.98 7.850174247e+00 7.850174247e+00 3.00 7.102445127e+00 7.102445127e+00 3.02 6.423633658e+00 6.423633658e+00 3.04 5.806864777e+00 5.806864777e+00 3.06 5.245997067e+00 5.245997067e+00 3.08 4.735558971e+00 4.735558971e+00 3.10 4.270699138e+00 4.270699138e+00 3.12 3.847052223e+00 3.847052223e+00 3.14 3.460719002e+00 3.460719002e+00 3.16 3.108196524e+00 3.108196524e+00 3.18 2.786309532e+00 2.786309532e+00 3.20 2.492242448e+00 2.492242448e+00 3.22 2.223522765e+00 2.223522765e+00 3.24 1.977870318e+00 1.977870318e+00 3.26 1.753231169e+00 1.753231169e+00 3.28 1.547769267e+00 1.547769267e+00 3.30 1.359850967e+00 1.359850967e+00 3.32 1.187907319e+00 1.187907319e+00 3.34 1.030539375e+00 1.030539375e+00 3.36 8.865026198e-01 8.865026198e-01 3.38 7.546641911e-01 7.546641911e-01 3.40 6.339910478e-01 6.339910478e-01 3.42 5.235397986e-01 5.235397986e-01 3.44 4.224472955e-01 4.224472955e-01 3.46 3.299230441e-01 3.299230441e-01 3.48 2.452425340e-01 2.452425340e-01 3.50 1.677324539e-01 1.677324539e-01 3.52 9.678037547e-02 9.678037547e-02 3.54 3.183253338e-02 3.183253338e-02 3.56 -2.762229538e-02 -2.762229538e-02 3.58 -8.204759414e-02 -8.204759414e-02 3.60 -1.318738537e-01 -1.318738537e-01 3.62 -1.774948703e-01 -1.774948703e-01 3.64 -2.192703908e-01 -2.192703908e-01 3.66 -2.575285783e-01 -2.575285783e-01 3.68 -2.926588241e-01 -2.926588241e-01 3.70 -3.248321340e-01 -3.248321340e-01 3.72 -3.542854471e-01 -3.542854471e-01 3.74 -3.812466468e-01 -3.812466468e-01 3.76 -4.060154588e-01 -4.060154588e-01 3.78 -4.288476457e-01 -4.288476457e-01 3.80 -4.496882273e-01 -4.496882273e-01 3.82 -4.687001267e-01 -4.687001267e-01 3.84 -4.860296876e-01 -4.860296876e-01 3.86 -5.018083549e-01 -5.018083549e-01 3.88 -5.161542246e-01 -5.161542246e-01 3.90 -5.291734646e-01 -5.291734646e-01 3.92 -5.409616073e-01 -5.409616073e-01 3.94 -5.516047203e-01 -5.516047203e-01 3.96 -5.611804594e-01 -5.611804594e-01 3.98 -5.697590144e-01 -5.697590144e-01 4.00 -5.774039543e-01 -5.774039543e-01 4.02 -5.841729806e-01 -5.841729806e-01 4.04 -5.903492115e-01 -5.903492115e-01 4.06 -5.957297186e-01 -5.957297186e-01 4.08 -6.003295535e-01 -6.003295535e-01 4.10 -6.041981848e-01 -6.041981848e-01 4.12 -6.073804509e-01 -6.073804509e-01 4.14 -6.099171023e-01 -6.099171023e-01 4.16 -6.118452978e-01 -6.118452978e-01 4.18 -6.131982379e-01 -6.131982379e-01 4.20 -6.140079779e-01 -6.140079779e-01 4.22 -6.143035590e-01 -6.143035590e-01 4.24 -6.141117704e-01 -6.141117704e-01 4.26 -6.134574527e-01 -6.134574527e-01 4.28 -6.123641470e-01 -6.123641470e-01 4.30 -6.108539013e-01 -6.108539013e-01 4.32 -6.089542758e-01 -6.089542758e-01 4.34 -6.067269705e-01 -6.067269705e-01 4.36 -6.041310081e-01 -6.041310081e-01 4.38 -6.011860088e-01 -6.011860088e-01 4.40 -5.979105570e-01 -5.979105570e-01 4.42 -5.943222733e-01 -5.943222733e-01 4.44 -5.904378799e-01 -5.904378799e-01 4.46 -5.862732562e-01 -5.862732562e-01 4.48 -5.818434855e-01 -5.818434855e-01 4.50 -5.772573469e-01 -5.772573469e-01 4.52 -5.724485351e-01 -5.724485351e-01 4.54 -5.673930416e-01 -5.673930416e-01 4.56 -5.621067420e-01 -5.621067420e-01 4.58 -5.566043895e-01 -5.566043895e-01 4.60 -5.508996990e-01 -5.508996990e-01 4.62 -5.450048475e-01 -5.450048475e-01 4.64 -5.389276947e-01 -5.389276947e-01 4.66 -5.326887827e-01 -5.326887827e-01 4.68 -5.262935413e-01 -5.262935413e-01 4.70 -5.197516780e-01 -5.197516780e-01 4.72 -5.131062959e-01 -5.131062959e-01 4.74 -5.063501480e-01 -5.063501480e-01 4.76 -4.994648212e-01 -4.994648212e-01 4.78 -4.924591031e-01 -4.924591031e-01 4.80 -4.853413123e-01 -4.853413123e-01 4.82 -4.781193573e-01 -4.781193573e-01 4.84 -4.708007186e-01 -4.708007186e-01 4.86 -4.633927542e-01 -4.633927542e-01 4.88 -4.559024749e-01 -4.559024749e-01 4.90 -4.483366842e-01 -4.483366842e-01 4.92 -4.407020154e-01 -4.407020154e-01 4.94 -4.330049654e-01 -4.330049654e-01 4.96 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