# 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 = AgAl2Co # 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 1.252402195e+02 1.252402195e+02 1.30 1.160268936e+02 1.160268936e+02 1.32 1.074923336e+02 1.074923336e+02 1.34 9.958186818e+01 9.958186818e+01 1.36 9.224540849e+01 9.224540849e+01 1.38 8.543806890e+01 8.543806890e+01 1.40 7.911966315e+01 7.911966315e+01 1.42 7.325338378e+01 7.325338378e+01 1.44 6.780438757e+01 6.780438757e+01 1.46 6.273916211e+01 6.273916211e+01 1.48 5.802618453e+01 5.802618453e+01 1.50 5.363727016e+01 5.363727016e+01 1.52 4.954828716e+01 4.954828716e+01 1.54 4.573861579e+01 4.573861579e+01 1.56 4.218994295e+01 4.218994295e+01 1.58 3.888524878e+01 3.888524878e+01 1.60 3.580943775e+01 3.580943775e+01 1.62 3.294802164e+01 3.294802164e+01 1.64 3.028669826e+01 3.028669826e+01 1.66 2.781316381e+01 2.781316381e+01 1.68 2.551277552e+01 2.551277552e+01 1.70 2.337185053e+01 2.337185053e+01 1.72 2.137810612e+01 2.137810612e+01 1.74 1.952066942e+01 1.952066942e+01 1.76 1.778982531e+01 1.778982531e+01 1.78 1.617674959e+01 1.617674959e+01 1.80 1.467340000e+01 1.467340000e+01 1.82 1.327252729e+01 1.327252729e+01 1.84 1.196766895e+01 1.196766895e+01 1.86 1.075304779e+01 1.075304779e+01 1.88 9.623389061e+00 9.623389061e+00 1.90 8.573708579e+00 8.573708579e+00 1.92 7.599123771e+00 7.599123771e+00 1.94 6.694734179e+00 6.694734179e+00 1.96 5.855605144e+00 5.855605144e+00 1.98 5.076858229e+00 5.076858229e+00 2.00 4.353833563e+00 4.353833563e+00 2.02 3.682261314e+00 3.682261314e+00 2.04 3.058372575e+00 3.058372575e+00 2.06 2.478905374e+00 2.478905374e+00 2.08 1.941013883e+00 1.941013883e+00 2.10 1.442132874e+00 1.442132874e+00 2.12 9.798555671e-01 9.798555671e-01 2.14 5.518588292e-01 5.518588292e-01 2.16 1.558816157e-01 1.558816157e-01 2.18 -2.102556978e-01 -2.102556978e-01 2.20 -5.486114825e-01 -5.486114825e-01 2.22 -8.610838071e-01 -8.610838071e-01 2.24 -1.149387085e+00 -1.149387085e+00 2.26 -1.415048837e+00 -1.415048837e+00 2.28 -1.659421974e+00 -1.659421974e+00 2.30 -1.883704535e+00 -1.883704535e+00 2.32 -2.088960941e+00 -2.088960941e+00 2.34 -2.276142029e+00 -2.276142029e+00 2.36 -2.446104733e+00 -2.446104733e+00 2.38 -2.599632877e+00 -2.599632877e+00 2.40 -2.737460429e+00 -2.737460429e+00 2.42 -2.860296982e+00 -2.860296982e+00 2.44 -2.968853594e+00 -2.968853594e+00 2.46 -3.063881428e+00 -3.063881428e+00 2.48 -3.146185142e+00 -3.146185142e+00 2.50 -3.216558644e+00 -3.216558644e+00 2.52 -3.275855773e+00 -3.275855773e+00 2.54 -3.324996055e+00 -3.324996055e+00 2.56 -3.364964637e+00 -3.364964637e+00 2.58 -3.396806396e+00 -3.396806396e+00 2.60 -3.421605229e+00 -3.421605229e+00 2.62 -3.440439311e+00 -3.440439311e+00 2.64 -3.454841177e+00 -3.454841177e+00 2.66 -3.466573102e+00 -3.466573102e+00 2.68 -3.475738708e+00 -3.475738708e+00 2.70 -3.482334845e+00 -3.482334845e+00 2.72 -3.486297879e+00 -3.486297879e+00 2.74 -3.487511942e+00 -3.487511942e+00 2.76 -3.485830272e+00 -3.485830272e+00 2.78 -3.481101051e+00 -3.481101051e+00 2.80 -3.473255548e+00 -3.473255548e+00 2.82 -3.462167312e+00 -3.462167312e+00 2.84 -3.447714318e+00 -3.447714318e+00 2.86 -3.429817284e+00 -3.429817284e+00 2.88 -3.408434236e+00 -3.408434236e+00 2.90 -3.383558047e+00 -3.383558047e+00 2.92 -3.355216920e+00 -3.355216920e+00 2.94 -3.323478524e+00 -3.323478524e+00 2.96 -3.288457607e+00 -3.288457607e+00 2.98 -3.250325771e+00 -3.250325771e+00 3.00 -3.209322877e+00 -3.209322877e+00 3.02 -3.165761171e+00 -3.165761171e+00 3.04 -3.120018266e+00 -3.120018266e+00 3.06 -3.072522480e+00 -3.072522480e+00 3.08 -3.023727876e+00 -3.023727876e+00 3.10 -2.974082919e+00 -2.974082919e+00 3.12 -2.923998809e+00 -2.923998809e+00 3.14 -2.873824087e+00 -2.873824087e+00 3.16 -2.823829758e+00 -2.823829758e+00 3.18 -2.774206367e+00 -2.774206367e+00 3.20 -2.725070976e+00 -2.725070976e+00 3.22 -2.676480531e+00 -2.676480531e+00 3.24 -2.628447724e+00 -2.628447724e+00 3.26 -2.580956281e+00 -2.580956281e+00 3.28 -2.533973846e+00 -2.533973846e+00 3.30 -2.487461764e+00 -2.487461764e+00 3.32 -2.441381857e+00 -2.441381857e+00 3.34 -2.395700718e+00 -2.395700718e+00 3.36 -2.350392151e+00 -2.350392151e+00 3.38 -2.305438331e+00 -2.305438331e+00 3.40 -2.260830109e+00 -2.260830109e+00 3.42 -2.216566763e+00 -2.216566763e+00 3.44 -2.172655306e+00 -2.172655306e+00 3.46 -2.129109523e+00 -2.129109523e+00 3.48 -2.085948738e+00 -2.085948738e+00 3.50 -2.043196397e+00 -2.043196397e+00 3.52 -2.000878539e+00 -2.000878539e+00 3.54 -1.959022242e+00 -1.959022242e+00 3.56 -1.917654122e+00 -1.917654122e+00 3.58 -1.876798984e+00 -1.876798984e+00 3.60 -1.836478669e+00 -1.836478669e+00 3.62 -1.796711164e+00 -1.796711164e+00 3.64 -1.757509984e+00 -1.757509984e+00 3.66 -1.718883835e+00 -1.718883835e+00 3.68 -1.680836550e+00 -1.680836550e+00 3.70 -1.643367248e+00 -1.643367248e+00 3.72 -1.606470691e+00 -1.606470691e+00 3.74 -1.570137778e+00 -1.570137778e+00 3.76 -1.534356124e+00 -1.534356124e+00 3.78 -1.499110665e+00 -1.499110665e+00 3.80 -1.464384260e+00 -1.464384260e+00 3.82 -1.430158241e+00 -1.430158241e+00 3.84 -1.396412889e+00 -1.396412889e+00 3.86 -1.363127831e+00 -1.363127831e+00 3.88 -1.330282335e+00 -1.330282335e+00 3.90 -1.297855522e+00 -1.297855522e+00 3.92 -1.265826470e+00 -1.265826470e+00 3.94 -1.234174286e+00 -1.234174286e+00 3.96 -1.202878047e+00 -1.202878047e+00 3.98 -1.171916792e+00 -1.171916792e+00 4.00 -1.141269500e+00 -1.141269500e+00 4.02 -1.110915156e+00 -1.110915156e+00 4.04 -1.080832951e+00 -1.080832951e+00 4.06 -1.051002700e+00 -1.051002700e+00 4.08 -1.021405513e+00 -1.021405513e+00 4.10 -9.920247698e-01 -9.920247698e-01 4.12 -9.628475085e-01 -9.628475085e-01 4.14 -9.338659222e-01 -9.338659222e-01 4.16 -9.050792777e-01 -9.050792777e-01 4.18 -8.764958090e-01 -8.764958090e-01 4.20 -8.481345007e-01 -8.481345007e-01 4.22 -8.200264720e-01 -8.200264720e-01 4.24 -7.922156660e-01 -7.922156660e-01 4.26 -7.647585626e-01 -7.647585626e-01 4.28 -7.377227084e-01 -7.377227084e-01 4.30 -7.111839989e-01 -7.111839989e-01 4.32 -6.852228257e-01 -6.852228257e-01 4.34 -6.599194039e-01 -6.599194039e-01 4.36 -6.353487510e-01 -6.353487510e-01 4.38 -6.115758749e-01 -6.115758749e-01 4.40 -5.886517085e-01 -5.886517085e-01 4.42 -5.666102065e-01 -5.666102065e-01 4.44 -5.454668331e-01 -5.454668331e-01 4.46 -5.252184565e-01 -5.252184565e-01 4.48 -5.058444798e-01 -5.058444798e-01 4.50 -4.873089123e-01 -4.873089123e-01 4.52 -4.695630278e-01 -4.695630278e-01 4.54 -4.525482714e-01 -4.525482714e-01 4.56 -4.361991319e-01 -4.361991319e-01 4.58 -4.204457812e-01 -4.204457812e-01 4.60 -4.052163698e-01 -4.052163698e-01 4.62 -3.904389422e-01 -3.904389422e-01 4.64 -3.760429949e-01 -3.760429949e-01 4.66 -3.619607395e-01 -3.619607395e-01 4.68 -3.481281492e-01 -3.481281492e-01 4.70 -3.344858770e-01 -3.344858770e-01 4.72 -3.209801208e-01 -3.209801208e-01 4.74 -3.075635003e-01 -3.075635003e-01 4.76 -2.941959818e-01 -2.941959818e-01 4.78 -2.808458654e-01 -2.808458654e-01 4.80 -2.674907994e-01 -2.674907994e-01 4.82 -2.541188399e-01 -2.541188399e-01 4.84 -2.407292841e-01 -2.407292841e-01 4.86 -2.273334113e-01 -2.273334113e-01 4.88 -2.139548040e-01 -2.139548040e-01 4.90 -2.006291946e-01 -2.006291946e-01 4.92 -1.874037062e-01 -1.874037062e-01 4.94 -1.743354177e-01 -1.743354177e-01 4.96 -1.614892496e-01 -1.614892496e-01 4.98 -1.489352484e-01 -1.489352484e-01 5.00 -1.367454163e-01 -1.367454163e-01 5.02 -1.249903289e-01 -1.249903289e-01 5.04 -1.137358060e-01 -1.137358060e-01 5.06 -1.030398978e-01 -1.030398978e-01 5.08 -9.295045837e-02 -9.295045837e-02 5.10 -8.350344695e-02 -8.350344695e-02 5.12 -7.472204331e-02 -7.472204331e-02 5.14 -6.661654499e-02 -6.661654499e-02 5.16 -5.918464644e-02 -5.918464644e-02 5.18 -5.241362684e-02 -5.241362684e-02 5.20 -4.628150245e-02 -4.628150245e-02 5.22 -4.075863994e-02 -4.075863994e-02 5.24 -3.580969053e-02 -3.580969053e-02 5.26 -3.139544010e-02 -3.139544010e-02 5.28 -2.747448114e-02 -2.747448114e-02 5.30 -2.400464439e-02 -2.400464439e-02 5.32 -2.094417333e-02 -2.094417333e-02 5.34 -1.825263503e-02 -1.825263503e-02 5.36 -1.589158224e-02 -1.589158224e-02 5.38 -1.382466220e-02 -1.382466220e-02 5.40 -1.201864360e-02 -1.201864360e-02 5.42 -1.044332537e-02 -1.044332537e-02 5.44 -9.071216494e-03 -9.071216494e-03 5.46 -7.877517624e-03 -7.877517624e-03 5.48 -6.840024319e-03 -6.840024319e-03 5.50 -5.938979091e-03 -5.938979091e-03 5.52 -5.156893099e-03 -5.156893099e-03 5.54 -4.478352998e-03 -4.478352998e-03 5.56 -3.889824117e-03 -3.889824117e-03 5.58 -3.379457673e-03 -3.379457673e-03 5.60 -2.936907142e-03 -2.936907142e-03 5.62 -2.553156875e-03 -2.553156875e-03 5.64 -2.220364608e-03 -2.220364608e-03 5.66 -1.931718502e-03 -1.931718502e-03 5.68 -1.681308614e-03 -1.681308614e-03 5.70 -1.464012230e-03 -1.464012230e-03 5.72 -1.275392231e-03 -1.275392231e-03 5.74 -1.111607449e-03 -1.111607449e-03 5.76 -9.693339639e-04 -9.693339639e-04 5.78 -8.456962284e-04 -8.456962284e-04 5.80 -7.382069781e-04 -7.382069781e-04 5.82 -6.447149319e-04 -6.447149319e-04 5.84 -5.633593608e-04 -5.633593608e-04 5.86 -4.925306874e-04 -4.925306874e-04 5.88 -4.308363609e-04 -4.308363609e-04 5.90 -3.770713323e-04 -3.770713323e-04 5.92 -3.301925318e-04 -3.301925318e-04 5.94 -2.892968186e-04 -2.892968186e-04 5.96 -2.536019420e-04 -2.536019420e-04 5.98 -2.224301067e-04 -2.224301067e-04 6.00 -1.951937906e-04 -1.951937906e-04