# 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 = CsLiRb2 # 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 2.321653185e+03 2.321653185e+03 1.26 2.178562949e+03 2.178562949e+03 1.28 2.045379150e+03 2.045379150e+03 1.30 1.921309563e+03 1.921309563e+03 1.32 1.805638300e+03 1.805638300e+03 1.34 1.697713374e+03 1.697713374e+03 1.36 1.596938743e+03 1.596938743e+03 1.38 1.502775512e+03 1.502775512e+03 1.40 1.414730793e+03 1.414730793e+03 1.42 1.332353979e+03 1.332353979e+03 1.44 1.255233384e+03 1.255233384e+03 1.46 1.182992110e+03 1.182992110e+03 1.48 1.115283579e+03 1.115283579e+03 1.50 1.051789161e+03 1.051789161e+03 1.52 9.922140676e+02 9.922140676e+02 1.54 9.362895603e+02 9.362895603e+02 1.56 8.837666968e+02 8.837666968e+02 1.58 8.344169486e+02 8.344169486e+02 1.60 7.880266446e+02 7.880266446e+02 1.62 7.443981575e+02 7.443981575e+02 1.64 7.033478968e+02 7.033478968e+02 1.66 6.647077620e+02 6.647077620e+02 1.68 6.283212823e+02 6.283212823e+02 1.70 5.940430077e+02 5.940430077e+02 1.72 5.617372811e+02 5.617372811e+02 1.74 5.312798874e+02 5.312798874e+02 1.76 5.025542684e+02 5.025542684e+02 1.78 4.754510587e+02 4.754510587e+02 1.80 4.498707984e+02 4.498707984e+02 1.82 4.257206049e+02 4.257206049e+02 1.84 4.029135362e+02 4.029135362e+02 1.86 3.813684991e+02 3.813684991e+02 1.88 3.610101899e+02 3.610101899e+02 1.90 3.417684622e+02 3.417684622e+02 1.92 3.235775497e+02 3.235775497e+02 1.94 3.063763702e+02 3.063763702e+02 1.96 2.901081276e+02 2.901081276e+02 1.98 2.747185943e+02 2.747185943e+02 2.00 2.601587416e+02 2.601587416e+02 2.02 2.463817643e+02 2.463817643e+02 2.04 2.333441994e+02 2.333441994e+02 2.06 2.210047567e+02 2.210047567e+02 2.08 2.093244510e+02 2.093244510e+02 2.10 1.982665998e+02 1.982665998e+02 2.12 1.877964523e+02 1.877964523e+02 2.14 1.778812541e+02 1.778812541e+02 2.16 1.684905493e+02 1.684905493e+02 2.18 1.595956484e+02 1.595956484e+02 2.20 1.511691049e+02 1.511691049e+02 2.22 1.431849810e+02 1.431849810e+02 2.24 1.356185451e+02 1.356185451e+02 2.26 1.284469650e+02 1.284469650e+02 2.28 1.216488791e+02 1.216488791e+02 2.30 1.152044173e+02 1.152044173e+02 2.32 1.090944086e+02 1.090944086e+02 2.34 1.033008360e+02 1.033008360e+02 2.36 9.780679356e+01 9.780679356e+01 2.38 9.259641347e+01 9.259641347e+01 2.40 8.765451632e+01 8.765451632e+01 2.42 8.296746797e+01 8.296746797e+01 2.44 7.852207191e+01 7.852207191e+01 2.46 7.430590232e+01 7.430590232e+01 2.48 7.030724897e+01 7.030724897e+01 2.50 6.651506126e+01 6.651506126e+01 2.52 6.291889682e+01 6.291889682e+01 2.54 5.950887439e+01 5.950887439e+01 2.56 5.627563113e+01 5.627563113e+01 2.58 5.321028409e+01 5.321028409e+01 2.60 5.030416694e+01 5.030416694e+01 2.62 4.754937536e+01 4.754937536e+01 2.64 4.493843370e+01 4.493843370e+01 2.66 4.246404290e+01 4.246404290e+01 2.68 4.011895009e+01 4.011895009e+01 2.70 3.789696161e+01 3.789696161e+01 2.72 3.579160300e+01 3.579160300e+01 2.74 3.379709045e+01 3.379709045e+01 2.76 3.190763666e+01 3.190763666e+01 2.78 3.011772877e+01 3.011772877e+01 2.80 2.842211905e+01 2.842211905e+01 2.82 2.681581344e+01 2.681581344e+01 2.84 2.529399485e+01 2.529399485e+01 2.86 2.385191959e+01 2.385191959e+01 2.88 2.248570142e+01 2.248570142e+01 2.90 2.119124135e+01 2.119124135e+01 2.92 1.996465732e+01 1.996465732e+01 2.94 1.880227631e+01 1.880227631e+01 2.96 1.770062665e+01 1.770062665e+01 2.98 1.665643053e+01 1.665643053e+01 3.00 1.566659641e+01 1.566659641e+01 3.02 1.472821152e+01 1.472821152e+01 3.04 1.383853416e+01 1.383853416e+01 3.06 1.299498592e+01 1.299498592e+01 3.08 1.219511460e+01 1.219511460e+01 3.10 1.143663532e+01 1.143663532e+01 3.12 1.071746893e+01 1.071746893e+01 3.14 1.003560519e+01 1.003560519e+01 3.16 9.389157348e+00 9.389157348e+00 3.18 8.776315239e+00 8.776315239e+00 3.20 8.195415470e+00 8.195415470e+00 3.22 7.644951481e+00 7.644951481e+00 3.24 7.123444585e+00 7.123444585e+00 3.26 6.629501226e+00 6.629501226e+00 3.28 6.161805948e+00 6.161805948e+00 3.30 5.719114827e+00 5.719114827e+00 3.32 5.300249384e+00 5.300249384e+00 3.34 4.904091003e+00 4.904091003e+00 3.36 4.529575860e+00 4.529575860e+00 3.38 4.175690360e+00 4.175690360e+00 3.40 3.841467073e+00 3.841467073e+00 3.42 3.525981142e+00 3.525981142e+00 3.44 3.228347143e+00 3.228347143e+00 3.46 2.947716360e+00 2.947716360e+00 3.48 2.683274440e+00 2.683274440e+00 3.50 2.434083772e+00 2.434083772e+00 3.52 2.199370004e+00 2.199370004e+00 3.54 1.978667601e+00 1.978667601e+00 3.56 1.771094388e+00 1.771094388e+00 3.58 1.576167097e+00 1.576167097e+00 3.60 1.393256302e+00 1.393256302e+00 3.62 1.221728821e+00 1.221728821e+00 3.64 1.060979640e+00 1.060979640e+00 3.66 9.104308739e-01 9.104308739e-01 3.68 7.694403319e-01 7.694403319e-01 3.70 6.375824751e-01 6.375824751e-01 3.72 5.142848123e-01 5.142848123e-01 3.74 3.991420441e-01 3.991420441e-01 3.76 2.917168714e-01 2.917168714e-01 3.78 1.915713585e-01 1.915713585e-01 3.80 9.829016909e-02 9.829016909e-02 3.82 1.147976753e-02 1.147976753e-02 3.84 -6.925984783e-02 -6.925984783e-02 3.86 -1.442493711e-01 -1.442493711e-01 3.88 -2.138191212e-01 -2.138191212e-01 3.90 -2.782848815e-01 -2.782848815e-01 3.92 -3.379443666e-01 -3.379443666e-01 3.94 -3.930780856e-01 -3.930780856e-01 3.96 -4.439502000e-01 -4.439502000e-01 3.98 -4.908093732e-01 -4.908093732e-01 4.00 -5.338896091e-01 -5.338896091e-01 4.02 -5.734110735e-01 -5.734110735e-01 4.04 -6.095808958e-01 -6.095808958e-01 4.06 -6.425939466e-01 -6.425939466e-01 4.08 -6.726335862e-01 -6.726335862e-01 4.10 -6.998723820e-01 -6.998723820e-01 4.12 -7.244727916e-01 -7.244727916e-01 4.14 -7.465878076e-01 -7.465878076e-01 4.16 -7.663615658e-01 -7.663615658e-01 4.18 -7.839299121e-01 -7.839299121e-01 4.20 -7.994209307e-01 -7.994209307e-01 4.22 -8.129554329e-01 -8.129554329e-01 4.24 -8.246474067e-01 -8.246474067e-01 4.26 -8.346044310e-01 -8.346044310e-01 4.28 -8.429280543e-01 -8.429280543e-01 4.30 -8.497141416e-01 -8.497141416e-01 4.32 -8.550531915e-01 -8.550531915e-01 4.34 -8.590306277e-01 -8.590306277e-01 4.36 -8.617270661e-01 -8.617270661e-01 4.38 -8.632185620e-01 -8.632185620e-01 4.40 -8.635768400e-01 -8.635768400e-01 4.42 -8.628695094e-01 -8.628695094e-01 4.44 -8.611602674e-01 -8.611602674e-01 4.46 -8.585090928e-01 -8.585090928e-01 4.48 -8.549724330e-01 -8.549724330e-01 4.50 -8.506978366e-01 -8.506978366e-01 4.52 -8.456553134e-01 -8.456553134e-01 4.54 -8.398548581e-01 -8.398548581e-01 4.56 -8.333441774e-01 -8.333441774e-01 4.58 -8.261678237e-01 -8.261678237e-01 4.60 -8.183674181e-01 -8.183674181e-01 4.62 -8.099818683e-01 -8.099818683e-01 4.64 -8.010475822e-01 -8.010475822e-01 4.66 -7.915986760e-01 -7.915986760e-01 4.68 -7.816671762e-01 -7.816671762e-01 4.70 -7.712832157e-01 -7.712832157e-01 4.72 -7.604752211e-01 -7.604752211e-01 4.74 -7.492700944e-01 -7.492700944e-01 4.76 -7.376933838e-01 -7.376933838e-01 4.78 -7.257694474e-01 -7.257694474e-01 4.80 -7.135216064e-01 -7.135216064e-01 4.82 -7.009722884e-01 -7.009722884e-01 4.84 -6.881431604e-01 -6.881431604e-01 4.86 -6.750552511e-01 -6.750552511e-01 4.88 -6.617290616e-01 -6.617290616e-01 4.90 -6.481846659e-01 -6.481846659e-01 4.92 -6.344417992e-01 -6.344417992e-01 4.94 -6.205199351e-01 -6.205199351e-01 4.96 -6.064383513e-01 -6.064383513e-01 4.98 -5.922161844e-01 -5.922161844e-01 5.00 -5.778724736e-01 -5.778724736e-01 5.02 -5.634261937e-01 -5.634261937e-01 5.04 -5.488962772e-01 -5.488962772e-01 5.06 -5.343016278e-01 -5.343016278e-01 5.08 -5.196611228e-01 -5.196611228e-01 5.10 -5.049936081e-01 -5.049936081e-01 5.12 -4.903178841e-01 -4.903178841e-01 5.14 -4.756526844e-01 -4.756526844e-01 5.16 -4.610166473e-01 -4.610166473e-01 5.18 -4.464282815e-01 -4.464282815e-01 5.20 -4.319059263e-01 -4.319059263e-01 5.22 -4.174677070e-01 -4.174677070e-01 5.24 -4.031314870e-01 -4.031314870e-01 5.26 -3.889148164e-01 -3.889148164e-01 5.28 -3.748348786e-01 -3.748348786e-01 5.30 -3.609084357e-01 -3.609084357e-01 5.32 -3.471517867e-01 -3.471517867e-01 5.34 -3.336112570e-01 -3.336112570e-01 5.36 -3.202704609e-01 -3.202704609e-01 5.38 -3.071397183e-01 -3.071397183e-01 5.40 -2.942335637e-01 -2.942335637e-01 5.42 -2.815657132e-01 -2.815657132e-01 5.44 -2.691490281e-01 -2.691490281e-01 5.46 -2.569954804e-01 -2.569954804e-01 5.48 -2.451161233e-01 -2.451161233e-01 5.50 -2.335210651e-01 -2.335210651e-01 5.52 -2.222194480e-01 -2.222194480e-01 5.54 -2.112194310e-01 -2.112194310e-01 5.56 -2.005281780e-01 -2.005281780e-01 5.58 -1.901518514e-01 -1.901518514e-01 5.60 -1.800956100e-01 -1.800956100e-01 5.62 -1.703636123e-01 -1.703636123e-01 5.64 -1.609590253e-01 -1.609590253e-01 5.66 -1.518840373e-01 -1.518840373e-01 5.68 -1.431398772e-01 -1.431398772e-01 5.70 -1.347268363e-01 -1.347268363e-01 5.72 -1.266442967e-01 -1.266442967e-01 5.74 -1.188907620e-01 -1.188907620e-01 5.76 -1.114638935e-01 -1.114638935e-01 5.78 -1.043605483e-01 -1.043605483e-01 5.80 -9.757682182e-02 -9.757682182e-02 5.82 -9.110809264e-02 -9.110809264e-02 5.84 -8.494906943e-02 -8.494906943e-02 5.86 -7.909384024e-02 -7.909384024e-02 5.88 -7.353592311e-02 -7.353592311e-02 5.90 -6.826831792e-02 -6.826831792e-02 5.92 -6.328355889e-02 -6.328355889e-02 5.94 -5.857376742e-02 -5.857376742e-02 5.96 -5.413070487e-02 -5.413070487e-02 5.98 -4.994582489e-02 -4.994582489e-02 6.00 -4.601032496e-02 -4.601032496e-02