# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlCoPd2 # 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 2024-04-11 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 2.000309249e+02 2.000309249e+02 1.30 1.851964679e+02 1.851964679e+02 1.32 1.714458284e+02 1.714458284e+02 1.34 1.586929981e+02 1.586929981e+02 1.36 1.468594341e+02 1.468594341e+02 1.38 1.358723602e+02 1.358723602e+02 1.40 1.256642869e+02 1.256642869e+02 1.42 1.161733046e+02 1.161733046e+02 1.44 1.073437040e+02 1.073437040e+02 1.46 9.912643615e+01 9.912643615e+01 1.48 9.147843736e+01 9.147843736e+01 1.50 8.436057931e+01 8.436057931e+01 1.52 7.773553317e+01 7.773553317e+01 1.54 7.156688432e+01 7.156688432e+01 1.56 6.581945933e+01 6.581945933e+01 1.58 6.046004281e+01 6.046004281e+01 1.60 5.545798218e+01 5.545798218e+01 1.62 5.078564823e+01 5.078564823e+01 1.64 4.642847346e+01 4.642847346e+01 1.66 4.239274798e+01 4.239274798e+01 1.68 3.865921187e+01 3.865921187e+01 1.70 3.520823772e+01 3.520823772e+01 1.72 3.201972640e+01 3.201972640e+01 1.74 2.907413148e+01 2.907413148e+01 1.76 2.635265573e+01 2.635265573e+01 1.78 2.383767057e+01 2.383767057e+01 1.80 2.151307458e+01 2.151307458e+01 1.82 1.936442521e+01 1.936442521e+01 1.84 1.737881396e+01 1.737881396e+01 1.86 1.554456448e+01 1.554456448e+01 1.88 1.385089110e+01 1.385089110e+01 1.90 1.228764924e+01 1.228764924e+01 1.92 1.084524715e+01 1.084524715e+01 1.94 9.514696599e+00 9.514696599e+00 1.96 8.287710210e+00 8.287710210e+00 1.98 7.156745025e+00 7.156745025e+00 2.00 6.114947946e+00 6.114947946e+00 2.02 5.156032811e+00 5.156032811e+00 2.04 4.274153609e+00 4.274153609e+00 2.06 3.463817611e+00 3.463817611e+00 2.08 2.719843169e+00 2.719843169e+00 2.10 2.037346378e+00 2.037346378e+00 2.12 1.411741138e+00 1.411741138e+00 2.14 8.387441820e-01 8.387441820e-01 2.16 3.143815258e-01 3.143815258e-01 2.18 -1.650056969e-01 -1.650056969e-01 2.20 -6.027588740e-01 -6.027588740e-01 2.22 -1.001907052e+00 -1.001907052e+00 2.24 -1.365182305e+00 -1.365182305e+00 2.26 -1.695044908e+00 -1.695044908e+00 2.28 -1.993715286e+00 -1.993715286e+00 2.30 -2.263209205e+00 -2.263209205e+00 2.32 -2.505373743e+00 -2.505373743e+00 2.34 -2.721922144e+00 -2.721922144e+00 2.36 -2.914466116e+00 -2.914466116e+00 2.38 -3.084543821e+00 -3.084543821e+00 2.40 -3.233642358e+00 -3.233642358e+00 2.42 -3.363214520e+00 -3.363214520e+00 2.44 -3.474690391e+00 -3.474690391e+00 2.46 -3.569483785e+00 -3.569483785e+00 2.48 -3.648991866e+00 -3.648991866e+00 2.50 -3.714621124e+00 -3.714621124e+00 2.52 -3.767701222e+00 -3.767701222e+00 2.54 -3.809452646e+00 -3.809452646e+00 2.56 -3.841039538e+00 -3.841039538e+00 2.58 -3.863707966e+00 -3.863707966e+00 2.60 -3.879153245e+00 -3.879153245e+00 2.62 -3.888059569e+00 -3.888059569e+00 2.64 -3.891331589e+00 -3.891331589e+00 2.66 -3.889828736e+00 -3.889828736e+00 2.68 -3.883616293e+00 -3.883616293e+00 2.70 -3.872751277e+00 -3.872751277e+00 2.72 -3.857287409e+00 -3.857287409e+00 2.74 -3.837280274e+00 -3.837280274e+00 2.76 -3.812850972e+00 -3.812850972e+00 2.78 -3.784143085e+00 -3.784143085e+00 2.80 -3.751300138e+00 -3.751300138e+00 2.82 -3.714490768e+00 -3.714490768e+00 2.84 -3.673911520e+00 -3.673911520e+00 2.86 -3.629788294e+00 -3.629788294e+00 2.88 -3.582380789e+00 -3.582380789e+00 2.90 -3.531982445e+00 -3.531982445e+00 2.92 -3.478915751e+00 -3.478915751e+00 2.94 -3.423523583e+00 -3.423523583e+00 2.96 -3.366158430e+00 -3.366158430e+00 2.98 -3.307172105e+00 -3.307172105e+00 3.00 -3.246908095e+00 -3.246908095e+00 3.02 -3.185697120e+00 -3.185697120e+00 3.04 -3.123854566e+00 -3.123854566e+00 3.06 -3.061677545e+00 -3.061677545e+00 3.08 -2.999439759e+00 -2.999439759e+00 3.10 -2.937384337e+00 -2.937384337e+00 3.12 -2.875716312e+00 -2.875716312e+00 3.14 -2.814597265e+00 -2.814597265e+00 3.16 -2.754143889e+00 -2.754143889e+00 3.18 -2.694431088e+00 -2.694431088e+00 3.20 -2.635498654e+00 -2.635498654e+00 3.22 -2.577359966e+00 -2.577359966e+00 3.24 -2.520011048e+00 -2.520011048e+00 3.26 -2.463438720e+00 -2.463438720e+00 3.28 -2.407627120e+00 -2.407627120e+00 3.30 -2.352562354e+00 -2.352562354e+00 3.32 -2.298235394e+00 -2.298235394e+00 3.34 -2.244643487e+00 -2.244643487e+00 3.36 -2.191790431e+00 -2.191790431e+00 3.38 -2.139686040e+00 -2.139686040e+00 3.40 -2.088345099e+00 -2.088345099e+00 3.42 -2.037786042e+00 -2.037786042e+00 3.44 -1.988029506e+00 -1.988029506e+00 3.46 -1.939096927e+00 -1.939096927e+00 3.48 -1.891009216e+00 -1.891009216e+00 3.50 -1.843785591e+00 -1.843785591e+00 3.52 -1.797442578e+00 -1.797442578e+00 3.54 -1.751993192e+00 -1.751993192e+00 3.56 -1.707446292e+00 -1.707446292e+00 3.58 -1.663806114e+00 -1.663806114e+00 3.60 -1.621071966e+00 -1.621071966e+00 3.62 -1.579238093e+00 -1.579238093e+00 3.64 -1.538293695e+00 -1.538293695e+00 3.66 -1.498223106e+00 -1.498223106e+00 3.68 -1.459006125e+00 -1.459006125e+00 3.70 -1.420618479e+00 -1.420618479e+00 3.72 -1.383032416e+00 -1.383032416e+00 3.74 -1.346217386e+00 -1.346217386e+00 3.76 -1.310140785e+00 -1.310140785e+00 3.78 -1.274768722e+00 -1.274768722e+00 3.80 -1.240066771e+00 -1.240066771e+00 3.82 -1.206000690e+00 -1.206000690e+00 3.84 -1.172537065e+00 -1.172537065e+00 3.86 -1.139643887e+00 -1.139643887e+00 3.88 -1.107291066e+00 -1.107291066e+00 3.90 -1.075450891e+00 -1.075450891e+00 3.92 -1.044098455e+00 -1.044098455e+00 3.94 -1.013212103e+00 -1.013212103e+00 3.96 -9.827738529e-01 -9.827738529e-01 3.98 -9.527698680e-01 -9.527698680e-01 4.00 -9.231909082e-01 -9.231909082e-01 4.02 -8.940327373e-01 -8.940327373e-01 4.04 -8.652964168e-01 -8.652964168e-01 4.06 -8.369884109e-01 -8.369884109e-01 4.08 -8.091204294e-01 -8.091204294e-01 4.10 -7.817089579e-01 -7.817089579e-01 4.12 -7.547745321e-01 -7.547745321e-01 4.14 -7.283406746e-01 -7.283406746e-01 4.16 -7.024328028e-01 -7.024328028e-01 4.18 -6.770770960e-01 -6.770770960e-01 4.20 -6.522995111e-01 -6.522995111e-01 4.22 -6.281250105e-01 -6.281250105e-01 4.24 -6.045769947e-01 -6.045769947e-01 4.26 -5.816768560e-01 -5.816768560e-01 4.28 -5.594435181e-01 -5.594435181e-01 4.30 -5.378928345e-01 -5.378928345e-01 4.32 -5.170367729e-01 -5.170367729e-01 4.34 -4.968824081e-01 -4.968824081e-01 4.36 -4.774308388e-01 -4.774308388e-01 4.38 -4.586762077e-01 -4.586762077e-01 4.40 -4.406050147e-01 -4.406050147e-01 4.42 -4.231958768e-01 -4.231958768e-01 4.44 -4.064198103e-01 -4.064198103e-01 4.46 -3.902410278e-01 -3.902410278e-01 4.48 -3.746181712e-01 -3.746181712e-01 4.50 -3.595058556e-01 -3.595058556e-01 4.52 -3.448563864e-01 -3.448563864e-01 4.54 -3.306215231e-01 -3.306215231e-01 4.56 -3.167541844e-01 -3.167541844e-01 4.58 -3.032100205e-01 -3.032100205e-01 4.60 -2.899488016e-01 -2.899488016e-01 4.62 -2.769355885e-01 -2.769355885e-01 4.64 -2.641416584e-01 -2.641416584e-01 4.66 -2.515451630e-01 -2.515451630e-01 4.68 -2.391314979e-01 -2.391314979e-01 4.70 -2.268933661e-01 -2.268933661e-01 4.72 -2.148305311e-01 -2.148305311e-01 4.74 -2.029492735e-01 -2.029492735e-01 4.76 -1.912615913e-01 -1.912615913e-01 4.78 -1.797842108e-01 -1.797842108e-01 4.80 -1.685374895e-01 -1.685374895e-01 4.82 -1.575443469e-01 -1.575443469e-01 4.84 -1.468292188e-01 -1.468292188e-01 4.86 -1.364172261e-01 -1.364172261e-01 4.88 -1.263334866e-01 -1.263334866e-01 4.90 -1.166025992e-01 -1.166025992e-01 4.92 -1.072482226e-01 -1.072482226e-01 4.94 -9.829269544e-02 -9.829269544e-02 4.96 -8.975661317e-02 -8.975661317e-02 4.98 -8.165834103e-02 -8.165834103e-02 5.00 -7.401343999e-02 -7.401343999e-02 5.02 -6.683403527e-02 -6.683403527e-02 5.04 -6.012797167e-02 -6.012797167e-02 5.06 -5.389857465e-02 -5.389857465e-02 5.08 -4.814474904e-02 -4.814474904e-02 5.10 -4.286021825e-02 -4.286021825e-02 5.12 -3.803370855e-02 -3.803370855e-02 5.14 -3.364936465e-02 -3.364936465e-02 5.16 -2.968737296e-02 -2.968737296e-02 5.18 -2.612471251e-02 -2.612471251e-02 5.20 -2.293598496e-02 -2.293598496e-02 5.22 -2.009424136e-02 -2.009424136e-02 5.24 -1.757175908e-02 -1.757175908e-02 5.26 -1.534074890e-02 -1.534074890e-02 5.28 -1.337391862e-02 -1.337391862e-02 5.30 -1.164483667e-02 -1.164483667e-02 5.32 -1.012874505e-02 -1.012874505e-02 5.34 -8.802488616e-03 -8.802488616e-03 5.36 -7.644623164e-03 -7.644623164e-03 5.38 -6.635503654e-03 -6.635503654e-03 5.40 -5.757299526e-03 -5.757299526e-03 5.42 -4.993955151e-03 -4.993955151e-03 5.44 -4.331111155e-03 -4.331111155e-03 5.46 -3.755999789e-03 -3.755999789e-03 5.48 -3.257324938e-03 -3.257324938e-03 5.50 -2.825134928e-03 -2.825134928e-03 5.52 -2.450694249e-03 -2.450694249e-03 5.54 -2.126358506e-03 -2.126358506e-03 5.56 -1.845455531e-03 -1.845455531e-03 5.58 -1.602174488e-03 -1.602174488e-03 5.60 -1.391463938e-03 -1.391463938e-03 5.62 -1.208939265e-03 -1.208939265e-03 5.64 -1.050799388e-03 -1.050799388e-03 5.66 -9.137524185e-04 -9.137524185e-04 5.68 -7.949497310e-04 -7.949497310e-04 5.70 -6.919277999e-04 -6.919277999e-04 5.72 -6.025571222e-04 -6.025571222e-04 5.74 -5.249975231e-04 -5.249975231e-04 5.76 -4.576591701e-04 -4.576591701e-04 5.78 -3.991686510e-04 -3.991686510e-04 5.80 -3.483395229e-04 -3.483395229e-04 5.82 -3.041467861e-04 -3.041467861e-04 5.84 -2.657047919e-04 -2.657047919e-04 5.86 -2.322481447e-04 -2.322481447e-04 5.88 -2.031152075e-04 -2.031152075e-04 5.90 -1.777338664e-04 -1.777338664e-04 5.92 -1.556092520e-04 -1.556092520e-04 5.94 -1.363131521e-04 -1.363131521e-04 5.96 -1.194748855e-04 -1.194748855e-04 5.98 -1.047734378e-04 -1.047734378e-04 6.00 -9.193068271e-05 -9.193068271e-05