# 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 = Cl2LiNa # 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 1.648449857e+04 1.648449857e+04 1.22 1.345535741e+04 1.345535741e+04 1.24 1.102555845e+04 1.102555845e+04 1.26 9.068486358e+03 9.068486358e+03 1.28 7.485954059e+03 7.485954059e+03 1.30 6.201528732e+03 6.201528732e+03 1.32 5.155028834e+03 5.155028834e+03 1.34 4.299347542e+03 4.299347542e+03 1.36 3.597160494e+03 3.597160494e+03 1.38 3.018985911e+03 3.018985911e+03 1.40 2.541405248e+03 2.541405248e+03 1.42 2.145568359e+03 2.145568359e+03 1.44 1.816499960e+03 1.816499960e+03 1.46 1.542137575e+03 1.542137575e+03 1.48 1.312674177e+03 1.312674177e+03 1.50 1.120202528e+03 1.120202528e+03 1.52 9.583056034e+02 9.583056034e+02 1.54 8.217911257e+02 8.217911257e+02 1.56 7.063520725e+02 7.063520725e+02 1.58 6.084512853e+02 6.084512853e+02 1.60 5.252279523e+02 5.252279523e+02 1.62 4.543223514e+02 4.543223514e+02 1.64 3.937603843e+02 3.937603843e+02 1.66 3.419040675e+02 3.419040675e+02 1.68 2.974033504e+02 2.974033504e+02 1.70 2.591207066e+02 2.591207066e+02 1.72 2.261289677e+02 2.261289677e+02 1.74 1.976454890e+02 1.976454890e+02 1.76 1.729890193e+02 1.729890193e+02 1.78 1.516023866e+02 1.516023866e+02 1.80 1.330191188e+02 1.330191188e+02 1.82 1.168414033e+02 1.168414033e+02 1.84 1.027315872e+02 1.027315872e+02 1.86 9.041263542e+01 9.041263542e+01 1.88 7.963761547e+01 7.963761547e+01 1.90 7.019681705e+01 7.019681705e+01 1.92 6.191102599e+01 6.191102599e+01 1.94 5.462991756e+01 5.462991756e+01 1.96 4.822140045e+01 4.822140045e+01 1.98 4.257419329e+01 4.257419329e+01 2.00 3.758910471e+01 3.758910471e+01 2.02 3.318215716e+01 3.318215716e+01 2.04 2.927995370e+01 2.927995370e+01 2.06 2.581932198e+01 2.581932198e+01 2.08 2.274749957e+01 2.274749957e+01 2.10 2.001609566e+01 2.001609566e+01 2.12 1.758430174e+01 1.758430174e+01 2.14 1.541590249e+01 1.541590249e+01 2.16 1.347928386e+01 1.347928386e+01 2.18 1.174765930e+01 1.174765930e+01 2.20 1.019753821e+01 1.019753821e+01 2.22 8.807572518e+00 8.807572518e+00 2.24 7.560624370e+00 7.560624370e+00 2.26 6.440127464e+00 6.440127464e+00 2.28 5.431836039e+00 5.431836039e+00 2.30 4.523598603e+00 4.523598603e+00 2.32 3.704676579e+00 3.704676579e+00 2.34 2.964303798e+00 2.964303798e+00 2.36 2.296439656e+00 2.296439656e+00 2.38 1.694029295e+00 1.694029295e+00 2.40 1.151023433e+00 1.151023433e+00 2.42 6.621770327e-01 6.621770327e-01 2.44 2.219897196e-01 2.219897196e-01 2.46 -1.735780659e-01 -1.735780659e-01 2.48 -5.286195294e-01 -5.286195294e-01 2.50 -8.467797603e-01 -8.467797603e-01 2.52 -1.131136930e+00 -1.131136930e+00 2.54 -1.384608666e+00 -1.384608666e+00 2.56 -1.611869050e+00 -1.611869050e+00 2.58 -1.813341770e+00 -1.813341770e+00 2.60 -1.990667618e+00 -1.990667618e+00 2.62 -2.145991534e+00 -2.145991534e+00 2.64 -2.281282331e+00 -2.281282331e+00 2.66 -2.398240424e+00 -2.398240424e+00 2.68 -2.498388822e+00 -2.498388822e+00 2.70 -2.583254253e+00 -2.583254253e+00 2.72 -2.654214457e+00 -2.654214457e+00 2.74 -2.712503798e+00 -2.712503798e+00 2.76 -2.759344327e+00 -2.759344327e+00 2.78 -2.796002174e+00 -2.796002174e+00 2.80 -2.823121598e+00 -2.823121598e+00 2.82 -2.841632637e+00 -2.841632637e+00 2.84 -2.852358976e+00 -2.852358976e+00 2.86 -2.856372036e+00 -2.856372036e+00 2.88 -2.854083695e+00 -2.854083695e+00 2.90 -2.846074456e+00 -2.846074456e+00 2.92 -2.832950931e+00 -2.832950931e+00 2.94 -2.815200351e+00 -2.815200351e+00 2.96 -2.793360029e+00 -2.793360029e+00 2.98 -2.767845505e+00 -2.767845505e+00 3.00 -2.739015632e+00 -2.739015632e+00 3.02 -2.707180498e+00 -2.707180498e+00 3.04 -2.672661093e+00 -2.672661093e+00 3.06 -2.635638134e+00 -2.635638134e+00 3.08 -2.596303090e+00 -2.596303090e+00 3.10 -2.554832392e+00 -2.554832392e+00 3.12 -2.511383021e+00 -2.511383021e+00 3.14 -2.466253764e+00 -2.466253764e+00 3.16 -2.419436350e+00 -2.419436350e+00 3.18 -2.371017032e+00 -2.371017032e+00 3.20 -2.321137106e+00 -2.321137106e+00 3.22 -2.269939227e+00 -2.269939227e+00 3.24 -2.217571431e+00 -2.217571431e+00 3.26 -2.164206296e+00 -2.164206296e+00 3.28 -2.109992532e+00 -2.109992532e+00 3.30 -2.055419109e+00 -2.055419109e+00 3.32 -2.000323165e+00 -2.000323165e+00 3.34 -1.944798586e+00 -1.944798586e+00 3.36 -1.889050383e+00 -1.889050383e+00 3.38 -1.833281242e+00 -1.833281242e+00 3.40 -1.777689900e+00 -1.777689900e+00 3.42 -1.722469301e+00 -1.722469301e+00 3.44 -1.667804596e+00 -1.667804596e+00 3.46 -1.613871113e+00 -1.613871113e+00 3.48 -1.560832363e+00 -1.560832363e+00 3.50 -1.508838190e+00 -1.508838190e+00 3.52 -1.458023138e+00 -1.458023138e+00 3.54 -1.408505111e+00 -1.408505111e+00 3.56 -1.360384378e+00 -1.360384378e+00 3.58 -1.313742963e+00 -1.313742963e+00 3.60 -1.268644432e+00 -1.268644432e+00 3.62 -1.225134062e+00 -1.225134062e+00 3.64 -1.183322588e+00 -1.183322588e+00 3.66 -1.143135338e+00 -1.143135338e+00 3.68 -1.104557858e+00 -1.104557858e+00 3.70 -1.067572841e+00 -1.067572841e+00 3.72 -1.032231105e+00 -1.032231105e+00 3.74 -9.984154950e-01 -9.984154950e-01 3.76 -9.660558297e-01 -9.660558297e-01 3.78 -9.350967942e-01 -9.350967942e-01 3.80 -9.054795015e-01 -9.054795015e-01 3.82 -8.771433215e-01 -8.771433215e-01 3.84 -8.500230962e-01 -8.500230962e-01 3.86 -8.240528073e-01 -8.240528073e-01 3.88 -7.991667615e-01 -7.991667615e-01 3.90 -7.753005692e-01 -7.753005692e-01 3.92 -7.523919175e-01 -7.523919175e-01 3.94 -7.303811470e-01 -7.303811470e-01 3.96 -7.092229653e-01 -7.092229653e-01 3.98 -6.889103034e-01 -6.889103034e-01 4.00 -6.693383091e-01 -6.693383091e-01 4.02 -6.504441953e-01 -6.504441953e-01 4.04 -6.326478843e-01 -6.326478843e-01 4.06 -6.154096771e-01 -6.154096771e-01 4.08 -5.986349567e-01 -5.986349567e-01 4.10 -5.823084322e-01 -5.823084322e-01 4.12 -5.664139791e-01 -5.664139791e-01 4.14 -5.509347291e-01 -5.509347291e-01 4.16 -5.358531632e-01 -5.358531632e-01 4.18 -5.211512085e-01 -5.211512085e-01 4.20 -5.068103392e-01 -5.068103392e-01 4.22 -4.928116841e-01 -4.928116841e-01 4.24 -4.791361387e-01 -4.791361387e-01 4.26 -4.657644845e-01 -4.657644845e-01 4.28 -4.526775144e-01 -4.526775144e-01 4.30 -4.398561635e-01 -4.398561635e-01 4.32 -4.272816468e-01 -4.272816468e-01 4.34 -4.149353352e-01 -4.149353352e-01 4.36 -4.027996406e-01 -4.027996406e-01 4.38 -3.908575861e-01 -3.908575861e-01 4.40 -3.790929453e-01 -3.790929453e-01 4.42 -3.674905006e-01 -3.674905006e-01 4.44 -3.560361857e-01 -3.560361857e-01 4.46 -3.447172215e-01 -3.447172215e-01 4.48 -3.335222431e-01 -3.335222431e-01 4.50 -3.224439042e-01 -3.224439042e-01 4.52 -3.116472170e-01 -3.116472170e-01 4.54 -3.009270269e-01 -3.009270269e-01 4.56 -2.902784825e-01 -2.902784825e-01 4.58 -2.797019091e-01 -2.797019091e-01 4.60 -2.691986167e-01 -2.691986167e-01 4.62 -2.587712931e-01 -2.587712931e-01 4.64 -2.484226453e-01 -2.484226453e-01 4.66 -2.381610609e-01 -2.381610609e-01 4.68 -2.279940517e-01 -2.279940517e-01 4.70 -2.179305338e-01 -2.179305338e-01 4.72 -2.079807104e-01 -2.079807104e-01 4.74 -1.981559324e-01 -1.981559324e-01 4.76 -1.884685371e-01 -1.884685371e-01 4.78 -1.789316685e-01 -1.789316685e-01 4.80 -1.695590828e-01 -1.695590828e-01 4.82 -1.603649419e-01 -1.603649419e-01 4.84 -1.513635998e-01 -1.513635998e-01 4.86 -1.425693847e-01 -1.425693847e-01 4.88 -1.340583996e-01 -1.340583996e-01 4.90 -1.259091830e-01 -1.259091830e-01 4.92 -1.179826437e-01 -1.179826437e-01 4.94 -1.102935842e-01 -1.102935842e-01 4.96 -1.028555376e-01 -1.028555376e-01 4.98 -9.568062772e-02 -9.568062772e-02 5.00 -8.877945035e-02 -8.877945035e-02 5.02 -8.216097703e-02 -8.216097703e-02 5.04 -7.583248291e-02 -7.583248291e-02 5.06 -6.979949965e-02 -6.979949965e-02 5.08 -6.406579368e-02 -6.406579368e-02 5.10 -5.863336944e-02 -5.863336944e-02 5.12 -5.350249697e-02 -5.350249697e-02 5.14 -4.867176232e-02 -4.867176232e-02 5.16 -4.413813930e-02 -4.413813930e-02 5.18 -3.989708016e-02 -3.989708016e-02 5.20 -3.594262309e-02 -3.594262309e-02 5.22 -3.226751355e-02 -3.226751355e-02 5.24 -2.886333683e-02 -2.886333683e-02 5.26 -2.572065888e-02 -2.572065888e-02 5.28 -2.282917251e-02 -2.282917251e-02 5.30 -2.017784613e-02 -2.017784613e-02 5.32 -1.775507232e-02 -1.775507232e-02 5.34 -1.554881386e-02 -1.554881386e-02 5.36 -1.354674470e-02 -1.354674470e-02 5.38 -1.173638422e-02 -1.173638422e-02 5.40 -1.010522274e-02 -1.010522274e-02 5.42 -8.649831692e-03 -8.649831692e-03 5.44 -7.394835433e-03 -7.394835433e-03 5.46 -6.274641936e-03 -6.274641936e-03 5.48 -5.278537640e-03 -5.278537640e-03 5.50 -4.396163032e-03 -4.396163032e-03 5.52 -3.617571576e-03 -3.617571576e-03 5.54 -2.933279668e-03 -2.933279668e-03 5.56 -2.334305006e-03 -2.334305006e-03 5.58 -1.812194085e-03 -1.812194085e-03 5.60 -1.359039626e-03 -1.359039626e-03 5.62 -9.674888621e-04 -9.674888621e-04 5.64 -6.307436749e-04 -6.307436749e-04 5.66 -3.425535984e-04 -3.425535984e-04 5.68 -9.720272845e-05 -9.720272845e-05 5.70 1.329051433e-07 1.329051433e-07 5.72 6.418885872e-07 6.418885872e-07 5.74 1.054517086e-06 1.054517086e-06 5.76 1.383422834e-06 1.383422834e-06 5.78 1.639900352e-06 1.639900352e-06 5.80 1.834022256e-06 1.834022256e-06 5.82 1.974747430e-06 1.974747430e-06 5.84 2.070021858e-06 2.070021858e-06 5.86 2.126872390e-06 2.126872390e-06 5.88 2.151493734e-06 2.151493734e-06 5.90 2.149328975e-06 2.149328975e-06 5.92 2.125143916e-06 2.125143916e-06 5.94 2.083095568e-06 2.083095568e-06 5.96 2.026795091e-06 2.026795091e-06 5.98 1.932266750e-06 1.932266750e-06 6.00 1.762497323e-06 1.762497323e-06