# 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 = Cl2IdLi # 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 3.729702151e+05 3.729702151e+05 1.30 2.847479860e+05 2.847479860e+05 1.32 2.182752823e+05 2.182752823e+05 1.34 1.679778639e+05 1.679778639e+05 1.36 1.297637375e+05 1.297637375e+05 1.38 1.006146451e+05 1.006146451e+05 1.40 7.829449690e+04 7.829449690e+04 1.42 6.113955741e+04 6.113955741e+04 1.44 4.790668467e+04 4.790668467e+04 1.46 3.766325538e+04 3.766325538e+04 1.48 2.970677532e+04 2.970677532e+04 1.50 2.350612438e+04 2.350612438e+04 1.52 1.865820578e+04 1.865820578e+04 1.54 1.485597093e+04 1.485597093e+04 1.56 1.186469995e+04 1.186469995e+04 1.58 9.504374137e+03 9.504374137e+03 1.60 7.636514006e+03 7.636514006e+03 1.62 6.154176109e+03 6.154176109e+03 1.64 4.974499552e+03 4.974499552e+03 1.66 4.033132710e+03 4.033132710e+03 1.68 3.279918672e+03 3.279918672e+03 1.70 2.675642507e+03 2.675642507e+03 1.72 2.189607480e+03 2.189607480e+03 1.74 1.797658664e+03 1.797658664e+03 1.76 1.480792685e+03 1.480792685e+03 1.78 1.223978940e+03 1.223978940e+03 1.80 1.015311009e+03 1.015311009e+03 1.82 8.453327904e+02 8.453327904e+02 1.84 7.065188587e+02 7.065188587e+02 1.86 5.928609420e+02 5.928609420e+02 1.88 4.995670335e+02 4.995670335e+02 1.90 4.227874422e+02 4.227874422e+02 1.92 3.594284240e+02 3.594284240e+02 1.94 3.070023395e+02 3.070023395e+02 1.96 2.634998488e+02 2.634998488e+02 1.98 2.272924775e+02 2.272924775e+02 2.00 1.970666030e+02 1.970666030e+02 2.02 1.717533792e+02 1.717533792e+02 2.04 1.504808559e+02 1.504808559e+02 2.06 1.325413584e+02 1.325413584e+02 2.08 1.173620310e+02 1.173620310e+02 2.10 1.044686158e+02 1.044686158e+02 2.12 9.347273163e+01 9.347273163e+01 2.14 8.405505268e+01 8.405505268e+01 2.16 7.595239160e+01 7.595239160e+01 2.18 6.895174474e+01 6.895174474e+01 2.20 6.287497045e+01 6.287497045e+01 2.22 5.757467966e+01 5.757467966e+01 2.24 5.292889141e+01 5.292889141e+01 2.26 4.883611386e+01 4.883611386e+01 2.28 4.521236169e+01 4.521236169e+01 2.30 4.198754029e+01 4.198754029e+01 2.32 3.910188074e+01 3.910188074e+01 2.34 3.650414475e+01 3.650414475e+01 2.36 3.415741297e+01 3.415741297e+01 2.38 3.202559145e+01 3.202559145e+01 2.40 3.008186429e+01 3.008186429e+01 2.42 2.830198966e+01 2.830198966e+01 2.44 2.666524846e+01 2.666524846e+01 2.46 2.515419801e+01 2.515419801e+01 2.48 2.375394499e+01 2.375394499e+01 2.50 2.245214773e+01 2.245214773e+01 2.52 2.123851012e+01 2.123851012e+01 2.54 2.010403811e+01 2.010403811e+01 2.56 1.903984426e+01 1.903984426e+01 2.58 1.804084913e+01 1.804084913e+01 2.60 1.710150573e+01 1.710150573e+01 2.62 1.621700921e+01 1.621700921e+01 2.64 1.538318285e+01 1.538318285e+01 2.66 1.459635358e+01 1.459635358e+01 2.68 1.385321964e+01 1.385321964e+01 2.70 1.315083040e+01 1.315083040e+01 2.72 1.248654975e+01 1.248654975e+01 2.74 1.185800334e+01 1.185800334e+01 2.76 1.126293269e+01 1.126293269e+01 2.78 1.069810072e+01 1.069810072e+01 2.80 1.016340274e+01 1.016340274e+01 2.82 9.657056344e+00 9.657056344e+00 2.84 9.177385529e+00 9.177385529e+00 2.86 8.722545108e+00 8.722545108e+00 2.88 8.291383986e+00 8.291383986e+00 2.90 7.882595437e+00 7.882595437e+00 2.92 7.494868578e+00 7.494868578e+00 2.94 7.126980268e+00 7.126980268e+00 2.96 6.777758638e+00 6.777758638e+00 2.98 6.446107841e+00 6.446107841e+00 3.00 6.130992928e+00 6.130992928e+00 3.02 5.831435758e+00 5.831435758e+00 3.04 5.546512198e+00 5.546512198e+00 3.06 5.275350225e+00 5.275350225e+00 3.08 5.017130090e+00 5.017130090e+00 3.10 4.771076535e+00 4.771076535e+00 3.12 4.536469762e+00 4.536469762e+00 3.14 4.312579631e+00 4.312579631e+00 3.16 4.098834051e+00 4.098834051e+00 3.18 3.894485198e+00 3.894485198e+00 3.20 3.699070663e+00 3.699070663e+00 3.22 3.512218126e+00 3.512218126e+00 3.24 3.333466590e+00 3.333466590e+00 3.26 3.162384023e+00 3.162384023e+00 3.28 2.998574302e+00 2.998574302e+00 3.30 2.841337633e+00 2.841337633e+00 3.32 2.690675928e+00 2.690675928e+00 3.34 2.546362372e+00 2.546362372e+00 3.36 2.408083641e+00 2.408083641e+00 3.38 2.275548279e+00 2.275548279e+00 3.40 2.148483328e+00 2.148483328e+00 3.42 2.026631456e+00 2.026631456e+00 3.44 1.909748613e+00 1.909748613e+00 3.46 1.797602243e+00 1.797602243e+00 3.48 1.689970029e+00 1.689970029e+00 3.50 1.586639104e+00 1.586639104e+00 3.52 1.487405996e+00 1.487405996e+00 3.54 1.392075637e+00 1.392075637e+00 3.56 1.300462297e+00 1.300462297e+00 3.58 1.212389786e+00 1.212389786e+00 3.60 1.127691646e+00 1.127691646e+00 3.62 1.046211418e+00 1.046211418e+00 3.64 9.672165258e-01 9.672165258e-01 3.66 8.909943467e-01 8.909943467e-01 3.68 8.177708493e-01 8.177708493e-01 3.70 7.473914012e-01 7.473914012e-01 3.72 6.796368947e-01 6.796368947e-01 3.74 6.144601730e-01 6.144601730e-01 3.76 5.517714194e-01 5.517714194e-01 3.78 4.914691771e-01 4.914691771e-01 3.80 4.334620806e-01 4.334620806e-01 3.82 3.776674052e-01 3.776674052e-01 3.84 3.240107049e-01 3.240107049e-01 3.86 2.724241597e-01 2.724241597e-01 3.88 2.228455591e-01 2.228455591e-01 3.90 1.752174318e-01 1.752174318e-01 3.92 1.294863199e-01 1.294863199e-01 3.94 8.560218673e-02 8.560218673e-02 3.96 4.351794221e-02 4.351794221e-02 3.98 3.189071534e-03 3.189071534e-03 4.00 -3.542665309e-02 -3.542665309e-02 4.02 -7.236940162e-02 -7.236940162e-02 4.04 -1.081387998e-01 -1.081387998e-01 4.06 -1.422703538e-01 -1.422703538e-01 4.08 -1.747404156e-01 -1.747404156e-01 4.10 -2.056020657e-01 -2.056020657e-01 4.12 -2.349026953e-01 -2.349026953e-01 4.14 -2.626840122e-01 -2.626840122e-01 4.16 -2.889863280e-01 -2.889863280e-01 4.18 -3.138469509e-01 -3.138469509e-01 4.20 -3.373006120e-01 -3.373006120e-01 4.22 -3.593798732e-01 -3.593798732e-01 4.24 -3.801155117e-01 -3.801155117e-01 4.26 -3.995368796e-01 -3.995368796e-01 4.28 -4.176722376e-01 -4.176722376e-01 4.30 -4.345490606e-01 -4.345490606e-01 4.32 -4.501943172e-01 -4.501943172e-01 4.34 -4.646340360e-01 -4.646340360e-01 4.36 -4.778954433e-01 -4.778954433e-01 4.38 -4.900056746e-01 -4.900056746e-01 4.40 -5.009919311e-01 -5.009919311e-01 4.42 -5.108819249e-01 -5.108819249e-01 4.44 -5.197040142e-01 -5.197040142e-01 4.46 -5.274873174e-01 -5.274873174e-01 4.48 -5.342618074e-01 -5.342618074e-01 4.50 -5.401456627e-01 -5.401456627e-01 4.52 -5.452748804e-01 -5.452748804e-01 4.54 -5.494455597e-01 -5.494455597e-01 4.56 -5.527028335e-01 -5.527028335e-01 4.58 -5.550796884e-01 -5.550796884e-01 4.60 -5.566173728e-01 -5.566173728e-01 4.62 -5.573573319e-01 -5.573573319e-01 4.64 -5.573409648e-01 -5.573409648e-01 4.66 -5.566106513e-01 -5.566106513e-01 4.68 -5.552084982e-01 -5.552084982e-01 4.70 -5.531767031e-01 -5.531767031e-01 4.72 -5.505574498e-01 -5.505574498e-01 4.74 -5.473927807e-01 -5.473927807e-01 4.76 -5.437244477e-01 -5.437244477e-01 4.78 -5.395937446e-01 -5.395937446e-01 4.80 -5.350413254e-01 -5.350413254e-01 4.82 -5.301070119e-01 -5.301070119e-01 4.84 -5.248295942e-01 -5.248295942e-01 4.86 -5.192466295e-01 -5.192466295e-01 4.88 -5.133942433e-01 -5.133942433e-01 4.90 -5.073069367e-01 -5.073069367e-01 4.92 -5.010174051e-01 -5.010174051e-01 4.94 -4.945563713e-01 -4.945563713e-01 4.96 -4.879524175e-01 -4.879524175e-01 4.98 -4.812318351e-01 -4.812318351e-01 5.00 -4.744187355e-01 -4.744187355e-01 5.02 -4.675347023e-01 -4.675347023e-01 5.04 -4.605988508e-01 -4.605988508e-01 5.06 -4.536278108e-01 -4.536278108e-01 5.08 -4.466357400e-01 -4.466357400e-01 5.10 -4.396343658e-01 -4.396343658e-01 5.12 -4.326330570e-01 -4.326330570e-01 5.14 -4.256389217e-01 -4.256389217e-01 5.16 -4.186569308e-01 -4.186569308e-01 5.18 -4.116900640e-01 -4.116900640e-01 5.20 -4.047394764e-01 -4.047394764e-01 5.22 -3.978046815e-01 -3.978046815e-01 5.24 -3.908837479e-01 -3.908837479e-01 5.26 -3.839735066e-01 -3.839735066e-01 5.28 -3.770697647e-01 -3.770697647e-01 5.30 -3.701675224e-01 -3.701675224e-01 5.32 -3.632611901e-01 -3.632611901e-01 5.34 -3.563448015e-01 -3.563448015e-01 5.36 -3.494122216e-01 -3.494122216e-01 5.38 -3.424573439e-01 -3.424573439e-01 5.40 -3.354742775e-01 -3.354742775e-01 5.42 -3.284575196e-01 -3.284575196e-01 5.44 -3.214021127e-01 -3.214021127e-01 5.46 -3.143037846e-01 -3.143037846e-01 5.48 -3.071590704e-01 -3.071590704e-01 5.50 -2.999654158e-01 -2.999654158e-01 5.52 -2.927212602e-01 -2.927212602e-01 5.54 -2.854263164e-01 -2.854263164e-01 5.56 -2.780809695e-01 -2.780809695e-01 5.58 -2.706869045e-01 -2.706869045e-01 5.60 -2.632469919e-01 -2.632469919e-01 5.62 -2.557652274e-01 -2.557652274e-01 5.64 -2.482467050e-01 -2.482467050e-01 5.66 -2.406975753e-01 -2.406975753e-01 5.68 -2.331249895e-01 -2.331249895e-01 5.70 -2.256474069e-01 -2.256474069e-01 5.72 -2.182272812e-01 -2.182272812e-01 5.74 -2.107818195e-01 -2.107818195e-01 5.76 -2.033251726e-01 -2.033251726e-01 5.78 -1.958716448e-01 -1.958716448e-01 5.80 -1.884356158e-01 -1.884356158e-01 5.82 -1.810314591e-01 -1.810314591e-01 5.84 -1.736734589e-01 -1.736734589e-01 5.86 -1.663757261e-01 -1.663757261e-01 5.88 -1.591521137e-01 -1.591521137e-01 5.90 -1.520161336e-01 -1.520161336e-01 5.92 -1.449808755e-01 -1.449808755e-01 5.94 -1.380589288e-01 -1.380589288e-01 5.96 -1.312623084e-01 -1.312623084e-01 5.98 -1.246023986e-01 -1.246023986e-01 6.00 -1.180898820e-01 -1.180898820e-01