# 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 = KLiRb2 # 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 1.138056694e+03 1.28 1.072068643e+03 1.072068643e+03 1.30 1.010406577e+03 1.010406577e+03 1.32 9.527390468e+02 9.527390468e+02 1.34 8.987674083e+02 8.987674083e+02 1.36 8.482151981e+02 8.482151981e+02 1.38 8.008314816e+02 8.008314816e+02 1.40 7.563872291e+02 7.563872291e+02 1.42 7.146744232e+02 7.146744232e+02 1.44 6.755004199e+02 6.755004199e+02 1.46 6.386882731e+02 6.386882731e+02 1.48 6.040774652e+02 6.040774652e+02 1.50 5.715185953e+02 5.715185953e+02 1.52 5.408721063e+02 5.408721063e+02 1.54 5.120127917e+02 5.120127917e+02 1.56 4.848241360e+02 4.848241360e+02 1.58 4.591986112e+02 4.591986112e+02 1.60 4.350349936e+02 4.350349936e+02 1.62 4.122403034e+02 4.122403034e+02 1.64 3.907244582e+02 3.907244582e+02 1.66 3.704107187e+02 3.704107187e+02 1.68 3.512238260e+02 3.512238260e+02 1.70 3.330935884e+02 3.330935884e+02 1.72 3.159540263e+02 3.159540263e+02 1.74 2.997458607e+02 2.997458607e+02 1.76 2.844120102e+02 2.844120102e+02 1.78 2.699000731e+02 2.699000731e+02 1.80 2.561627049e+02 2.561627049e+02 1.82 2.431545353e+02 2.431545353e+02 1.84 2.308330791e+02 2.308330791e+02 1.86 2.191588713e+02 2.191588713e+02 1.88 2.080953067e+02 2.080953067e+02 1.90 1.976077969e+02 1.976077969e+02 1.92 1.876637990e+02 1.876637990e+02 1.94 1.782342098e+02 1.782342098e+02 1.96 1.692909457e+02 1.692909457e+02 1.98 1.608066290e+02 1.608066290e+02 2.00 1.527575460e+02 1.527575460e+02 2.02 1.451195292e+02 1.451195292e+02 2.04 1.378705893e+02 1.378705893e+02 2.06 1.309897582e+02 1.309897582e+02 2.08 1.244570891e+02 1.244570891e+02 2.10 1.182537800e+02 1.182537800e+02 2.12 1.123611741e+02 1.123611741e+02 2.14 1.067632401e+02 1.067632401e+02 2.16 1.014446408e+02 1.014446408e+02 2.18 9.639066800e+01 9.639066800e+01 2.20 9.158731353e+01 9.158731353e+01 2.22 8.702127585e+01 8.702127585e+01 2.24 8.267961891e+01 8.267961891e+01 2.26 7.855066819e+01 7.855066819e+01 2.28 7.462396497e+01 7.462396497e+01 2.30 7.088905589e+01 7.088905589e+01 2.32 6.733607973e+01 6.733607973e+01 2.34 6.395576511e+01 6.395576511e+01 2.36 6.073939042e+01 6.073939042e+01 2.38 5.767874662e+01 5.767874662e+01 2.40 5.476597651e+01 5.476597651e+01 2.42 5.199354863e+01 5.199354863e+01 2.44 4.935514269e+01 4.935514269e+01 2.46 4.684422787e+01 4.684422787e+01 2.48 4.445464637e+01 4.445464637e+01 2.50 4.218051284e+01 4.218051284e+01 2.52 4.001631980e+01 4.001631980e+01 2.54 3.795692584e+01 3.795692584e+01 2.56 3.599712960e+01 3.599712960e+01 2.58 3.413271044e+01 3.413271044e+01 2.60 3.235895225e+01 3.235895225e+01 2.62 3.067170762e+01 3.067170762e+01 2.64 2.906707428e+01 2.906707428e+01 2.66 2.754115157e+01 2.754115157e+01 2.68 2.608991783e+01 2.608991783e+01 2.70 2.471031271e+01 2.471031271e+01 2.72 2.339890066e+01 2.339890066e+01 2.74 2.215239915e+01 2.215239915e+01 2.76 2.096766923e+01 2.096766923e+01 2.78 1.984170756e+01 1.984170756e+01 2.80 1.877163969e+01 1.877163969e+01 2.82 1.775471446e+01 1.775471446e+01 2.84 1.678823280e+01 1.678823280e+01 2.86 1.586937356e+01 1.586937356e+01 2.88 1.499595538e+01 1.499595538e+01 2.90 1.416600468e+01 1.416600468e+01 2.92 1.337728241e+01 1.337728241e+01 2.94 1.262766161e+01 1.262766161e+01 2.96 1.191512324e+01 1.191512324e+01 2.98 1.123775219e+01 1.123775219e+01 3.00 1.059373355e+01 1.059373355e+01 3.02 9.981349049e+00 9.981349049e+00 3.04 9.398973552e+00 9.398973552e+00 3.06 8.845057211e+00 8.845057211e+00 3.08 8.318145366e+00 8.318145366e+00 3.10 7.816901715e+00 7.816901715e+00 3.12 7.340037534e+00 7.340037534e+00 3.14 6.886340453e+00 6.886340453e+00 3.16 6.454670763e+00 6.454670763e+00 3.18 6.043919047e+00 6.043919047e+00 3.20 5.653080621e+00 5.653080621e+00 3.22 5.281269603e+00 5.281269603e+00 3.24 4.927593614e+00 4.927593614e+00 3.26 4.591214334e+00 4.591214334e+00 3.28 4.271310533e+00 4.271310533e+00 3.30 3.967093671e+00 3.967093671e+00 3.32 3.677969350e+00 3.677969350e+00 3.34 3.403270365e+00 3.403270365e+00 3.36 3.142365121e+00 3.142365121e+00 3.38 2.894654202e+00 2.894654202e+00 3.40 2.659567220e+00 2.659567220e+00 3.42 2.436559938e+00 2.436559938e+00 3.44 2.225111699e+00 2.225111699e+00 3.46 2.024723164e+00 2.024723164e+00 3.48 1.834914355e+00 1.834914355e+00 3.50 1.655067376e+00 1.655067376e+00 3.52 1.484713251e+00 1.484713251e+00 3.54 1.323677812e+00 1.323677812e+00 3.56 1.171530388e+00 1.171530388e+00 3.58 1.027856311e+00 1.027856311e+00 3.60 8.922561789e-01 8.922561789e-01 3.62 7.643452981e-01 7.643452981e-01 3.64 6.437532766e-01 6.437532766e-01 3.66 5.301237335e-01 5.301237335e-01 3.68 4.230236091e-01 4.230236091e-01 3.70 3.222248415e-01 3.222248415e-01 3.72 2.273414517e-01 2.273414517e-01 3.74 1.381443441e-01 1.381443441e-01 3.76 5.426913118e-02 5.426913118e-02 3.78 -2.463422120e-02 -2.463422120e-02 3.80 -9.860904749e-02 -9.860904749e-02 3.82 -1.679192455e-01 -1.679192455e-01 3.84 -2.328135604e-01 -2.328135604e-01 3.86 -2.935261874e-01 -2.935261874e-01 3.88 -3.502774007e-01 -3.502774007e-01 3.90 -4.032742059e-01 -4.032742059e-01 3.92 -4.527110120e-01 -4.527110120e-01 3.94 -4.987703179e-01 -4.987703179e-01 3.96 -5.416234076e-01 -5.416234076e-01 3.98 -5.814310480e-01 -5.814310480e-01 4.00 -6.183441840e-01 -6.183441840e-01 4.02 -6.525046239e-01 -6.525046239e-01 4.04 -6.840457089e-01 -6.840457089e-01 4.06 -7.130929624e-01 -7.130929624e-01 4.08 -7.397647121e-01 -7.397647121e-01 4.10 -7.641726825e-01 -7.641726825e-01 4.12 -7.864225519e-01 -7.864225519e-01 4.14 -8.066144728e-01 -8.066144728e-01 4.16 -8.248435523e-01 -8.248435523e-01 4.18 -8.412002921e-01 -8.412002921e-01 4.20 -8.557709865e-01 -8.557709865e-01 4.22 -8.686380802e-01 -8.686380802e-01 4.24 -8.798804849e-01 -8.798804849e-01 4.26 -8.895738585e-01 -8.895738585e-01 4.28 -8.977908474e-01 -8.977908474e-01 4.30 -9.046012947e-01 -9.046012947e-01 4.32 -9.100791651e-01 -9.100791651e-01 4.34 -9.143311606e-01 -9.143311606e-01 4.36 -9.173599306e-01 -9.173599306e-01 4.38 -9.192273514e-01 -9.192273514e-01 4.40 -9.199929144e-01 -9.199929144e-01 4.42 -9.197138138e-01 -9.197138138e-01 4.44 -9.184450294e-01 -9.184450294e-01 4.46 -9.162393987e-01 -9.162393987e-01 4.48 -9.131476819e-01 -9.131476819e-01 4.50 -9.093130718e-01 -9.093130718e-01 4.52 -9.047024326e-01 -9.047024326e-01 4.54 -8.993237010e-01 -8.993237010e-01 4.56 -8.932234939e-01 -8.932234939e-01 4.58 -8.864461241e-01 -8.864461241e-01 4.60 -8.790337071e-01 -8.790337071e-01 4.62 -8.710262669e-01 -8.710262669e-01 4.64 -8.624618402e-01 -8.624618402e-01 4.66 -8.533765801e-01 -8.533765801e-01 4.68 -8.438048583e-01 -8.438048583e-01 4.70 -8.337793657e-01 -8.337793657e-01 4.72 -8.233312118e-01 -8.233312118e-01 4.74 -8.124900220e-01 -8.124900220e-01 4.76 -8.012840329e-01 -8.012840329e-01 4.78 -7.897401854e-01 -7.897401854e-01 4.80 -7.778842141e-01 -7.778842141e-01 4.82 -7.657407352e-01 -7.657407352e-01 4.84 -7.533333291e-01 -7.533333291e-01 4.86 -7.406846207e-01 -7.406846207e-01 4.88 -7.278163547e-01 -7.278163547e-01 4.90 -7.147494665e-01 -7.147494665e-01 4.92 -7.015041493e-01 -7.015041493e-01 4.94 -6.880999147e-01 -6.880999147e-01 4.96 -6.745556495e-01 -6.745556495e-01 4.98 -6.608896666e-01 -6.608896666e-01 5.00 -6.471197502e-01 -6.471197502e-01 5.02 -6.332631964e-01 -6.332631964e-01 5.04 -6.193368474e-01 -6.193368474e-01 5.06 -6.053571209e-01 -6.053571209e-01 5.08 -5.913400344e-01 -5.913400344e-01 5.10 -5.773012235e-01 -5.773012235e-01 5.12 -5.632559566e-01 -5.632559566e-01 5.14 -5.492191439e-01 -5.492191439e-01 5.16 -5.352053428e-01 -5.352053428e-01 5.18 -5.212287594e-01 -5.212287594e-01 5.20 -5.073032457e-01 -5.073032457e-01 5.22 -4.934422950e-01 -4.934422950e-01 5.24 -4.796590333e-01 -4.796590333e-01 5.26 -4.659662095e-01 -4.659662095e-01 5.28 -4.523761829e-01 -4.523761829e-01 5.30 -4.389009103e-01 -4.389009103e-01 5.32 -4.255519313e-01 -4.255519313e-01 5.34 -4.123403534e-01 -4.123403534e-01 5.36 -3.992768377e-01 -3.992768377e-01 5.38 -3.863715835e-01 -3.863715835e-01 5.40 -3.736343146e-01 -3.736343146e-01 5.42 -3.610742661e-01 -3.610742661e-01 5.44 -3.487001724e-01 -3.487001724e-01 5.46 -3.365202568e-01 -3.365202568e-01 5.48 -3.245422221e-01 -3.245422221e-01 5.50 -3.127732439e-01 -3.127732439e-01 5.52 -3.012199649e-01 -3.012199649e-01 5.54 -2.898884917e-01 -2.898884917e-01 5.56 -2.787843931e-01 -2.787843931e-01 5.58 -2.679127010e-01 -2.679127010e-01 5.60 -2.572779127e-01 -2.572779127e-01 5.62 -2.468839950e-01 -2.468839950e-01 5.64 -2.367343910e-01 -2.367343910e-01 5.66 -2.268320274e-01 -2.268320274e-01 5.68 -2.172008626e-01 -2.172008626e-01 5.70 -2.078513445e-01 -2.078513445e-01 5.72 -1.987474623e-01 -1.987474623e-01 5.74 -1.898910186e-01 -1.898910186e-01 5.76 -1.812832818e-01 -1.812832818e-01 5.78 -1.729250070e-01 -1.729250070e-01 5.80 -1.648164575e-01 -1.648164575e-01 5.82 -1.569574270e-01 -1.569574270e-01 5.84 -1.493472615e-01 -1.493472615e-01 5.86 -1.419848818e-01 -1.419848818e-01 5.88 -1.348688054e-01 -1.348688054e-01 5.90 -1.279971687e-01 -1.279971687e-01 5.92 -1.213677492e-01 -1.213677492e-01 5.94 -1.149779863e-01 -1.149779863e-01 5.96 -1.088250033e-01 -1.088250033e-01 5.98 -1.029056273e-01 -1.029056273e-01 6.00 -9.721641028e-02 -9.721641028e-02