# 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 = AgAlCo2 # 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 1.461521416e+02 1.461521416e+02 1.30 1.348743330e+02 1.348743330e+02 1.32 1.244584648e+02 1.244584648e+02 1.34 1.148334173e+02 1.148334173e+02 1.36 1.059345815e+02 1.059345815e+02 1.38 9.770403263e+01 9.770403263e+01 1.40 9.008970864e+01 9.008970864e+01 1.42 8.304399763e+01 8.304399763e+01 1.44 7.652228654e+01 7.652228654e+01 1.46 7.048229498e+01 7.048229498e+01 1.48 6.488461816e+01 6.488461816e+01 1.50 5.969374929e+01 5.969374929e+01 1.52 5.487841965e+01 5.487841965e+01 1.54 5.041098196e+01 5.041098196e+01 1.56 4.626647408e+01 4.626647408e+01 1.58 4.242191538e+01 4.242191538e+01 1.60 3.885604832e+01 3.885604832e+01 1.62 3.555036400e+01 3.555036400e+01 1.64 3.248736324e+01 3.248736324e+01 1.66 2.965058107e+01 2.965058107e+01 1.68 2.702292351e+01 2.702292351e+01 1.70 2.458806042e+01 2.458806042e+01 1.72 2.233119462e+01 2.233119462e+01 1.74 2.023901531e+01 2.023901531e+01 1.76 1.829945713e+01 1.829945713e+01 1.78 1.650149070e+01 1.650149070e+01 1.80 1.483506106e+01 1.483506106e+01 1.82 1.329109586e+01 1.329109586e+01 1.84 1.186145232e+01 1.186145232e+01 1.86 1.053876098e+01 1.053876098e+01 1.88 9.316206438e+00 9.316206438e+00 1.90 8.187303579e+00 8.187303579e+00 1.92 7.145720731e+00 7.145720731e+00 1.94 6.185194861e+00 6.185194861e+00 1.96 5.299559971e+00 5.299559971e+00 1.98 4.482866771e+00 4.482866771e+00 2.00 3.729539878e+00 3.729539878e+00 2.02 3.034514620e+00 3.034514620e+00 2.04 2.393306367e+00 2.393306367e+00 2.06 1.801989566e+00 1.801989566e+00 2.08 1.257101936e+00 1.257101936e+00 2.10 7.555184131e-01 7.555184131e-01 2.12 2.943399515e-01 2.943399515e-01 2.14 -1.291774738e-01 -1.291774738e-01 2.16 -5.176492584e-01 -5.176492584e-01 2.18 -8.735538609e-01 -8.735538609e-01 2.20 -1.199207541e+00 -1.199207541e+00 2.22 -1.496741192e+00 -1.496741192e+00 2.24 -1.768091788e+00 -1.768091788e+00 2.26 -2.015010584e+00 -2.015010584e+00 2.28 -2.239082410e+00 -2.239082410e+00 2.30 -2.441748458e+00 -2.441748458e+00 2.32 -2.624327405e+00 -2.624327405e+00 2.34 -2.788032870e+00 -2.788032870e+00 2.36 -2.933988177e+00 -2.933988177e+00 2.38 -3.063240317e+00 -3.063240317e+00 2.40 -3.176775083e+00 -3.176775083e+00 2.42 -3.275550943e+00 -3.275550943e+00 2.44 -3.360561738e+00 -3.360561738e+00 2.46 -3.432642156e+00 -3.432642156e+00 2.48 -3.492622393e+00 -3.492622393e+00 2.50 -3.541361081e+00 -3.541361081e+00 2.52 -3.579745498e+00 -3.579745498e+00 2.54 -3.608691913e+00 -3.608691913e+00 2.56 -3.629147022e+00 -3.629147022e+00 2.58 -3.642170787e+00 -3.642170787e+00 2.60 -3.649386261e+00 -3.649386261e+00 2.62 -3.651434769e+00 -3.651434769e+00 2.64 -3.648758060e+00 -3.648758060e+00 2.66 -3.641794974e+00 -3.641794974e+00 2.68 -3.630931099e+00 -3.630931099e+00 2.70 -3.616470554e+00 -3.616470554e+00 2.72 -3.598631810e+00 -3.598631810e+00 2.74 -3.577563900e+00 -3.577563900e+00 2.76 -3.553406265e+00 -3.553406265e+00 2.78 -3.526319454e+00 -3.526319454e+00 2.80 -3.496297700e+00 -3.496297700e+00 2.82 -3.463337130e+00 -3.463337130e+00 2.84 -3.427456267e+00 -3.427456267e+00 2.86 -3.388695451e+00 -3.388695451e+00 2.88 -3.347115545e+00 -3.347115545e+00 2.90 -3.302797602e+00 -3.302797602e+00 2.92 -3.255844794e+00 -3.255844794e+00 2.94 -3.206389153e+00 -3.206389153e+00 2.96 -3.154602361e+00 -3.154602361e+00 2.98 -3.100698119e+00 -3.100698119e+00 3.00 -3.044938027e+00 -3.044938027e+00 3.02 -2.987633761e+00 -2.987633761e+00 3.04 -2.929141234e+00 -2.929141234e+00 3.06 -2.869845355e+00 -2.869845355e+00 3.08 -2.810136774e+00 -2.810136774e+00 3.10 -2.750385078e+00 -2.750385078e+00 3.12 -2.690914185e+00 -2.690914185e+00 3.14 -2.631985166e+00 -2.631985166e+00 3.16 -2.573789037e+00 -2.573789037e+00 3.18 -2.516449350e+00 -2.516449350e+00 3.20 -2.460031933e+00 -2.460031933e+00 3.22 -2.404558375e+00 -2.404558375e+00 3.24 -2.350020147e+00 -2.350020147e+00 3.26 -2.296391168e+00 -2.296391168e+00 3.28 -2.243637753e+00 -2.243637753e+00 3.30 -2.191725680e+00 -2.191725680e+00 3.32 -2.140624692e+00 -2.140624692e+00 3.34 -2.090310933e+00 -2.090310933e+00 3.36 -2.040767914e+00 -2.040767914e+00 3.38 -1.991986454e+00 -1.991986454e+00 3.40 -1.943963995e+00 -1.943963995e+00 3.42 -1.896703549e+00 -1.896703549e+00 3.44 -1.850212429e+00 -1.850212429e+00 3.46 -1.804500922e+00 -1.804500922e+00 3.48 -1.759580951e+00 -1.759580951e+00 3.50 -1.715464801e+00 -1.715464801e+00 3.52 -1.672163956e+00 -1.672163956e+00 3.54 -1.629688080e+00 -1.629688080e+00 3.56 -1.588044181e+00 -1.588044181e+00 3.58 -1.547235982e+00 -1.547235982e+00 3.60 -1.507263505e+00 -1.507263505e+00 3.62 -1.468122893e+00 -1.468122893e+00 3.64 -1.429806456e+00 -1.429806456e+00 3.66 -1.392302931e+00 -1.392302931e+00 3.68 -1.355597932e+00 -1.355597932e+00 3.70 -1.319674528e+00 -1.319674528e+00 3.72 -1.284513919e+00 -1.284513919e+00 3.74 -1.250096109e+00 -1.250096109e+00 3.76 -1.216400546e+00 -1.216400546e+00 3.78 -1.183406640e+00 -1.183406640e+00 3.80 -1.151094139e+00 -1.151094139e+00 3.82 -1.119443336e+00 -1.119443336e+00 3.84 -1.088435119e+00 -1.088435119e+00 3.86 -1.058050885e+00 -1.058050885e+00 3.88 -1.028272349e+00 -1.028272349e+00 3.90 -9.990812959e-01 -9.990812959e-01 3.92 -9.704593086e-01 -9.704593086e-01 3.94 -9.423875230e-01 -9.423875230e-01 3.96 -9.148463950e-01 -9.148463950e-01 3.98 -8.878155772e-01 -8.878155772e-01 4.00 -8.612738753e-01 -8.612738753e-01 4.02 -8.351993382e-01 -8.351993382e-01 4.04 -8.095695070e-01 -8.095695070e-01 4.06 -7.843618527e-01 -7.843618527e-01 4.08 -7.595544300e-01 -7.595544300e-01 4.10 -7.351267556e-01 -7.351267556e-01 4.12 -7.110609654e-01 -7.110609654e-01 4.14 -6.873430760e-01 -6.873430760e-01 4.16 -6.639644825e-01 -6.639644825e-01 4.18 -6.409234231e-01 -6.409234231e-01 4.20 -6.182263062e-01 -6.182263062e-01 4.22 -5.958886842e-01 -5.958886842e-01 4.24 -5.739356479e-01 -5.739356479e-01 4.26 -5.524014355e-01 -5.524014355e-01 4.28 -5.313281229e-01 -5.313281229e-01 4.30 -5.107633779e-01 -5.107633779e-01 4.32 -4.907574138e-01 -4.907574138e-01 4.34 -4.713594287e-01 -4.713594287e-01 4.36 -4.526139230e-01 -4.526139230e-01 4.38 -4.345573308e-01 -4.345573308e-01 4.40 -4.172153452e-01 -4.172153452e-01 4.42 -4.006012035e-01 -4.006012035e-01 4.44 -3.847150317e-01 -3.847150317e-01 4.46 -3.695441921e-01 -3.695441921e-01 4.48 -3.550644510e-01 -3.550644510e-01 4.50 -3.412417158e-01 -3.412417158e-01 4.52 -3.280340740e-01 -3.280340740e-01 4.54 -3.153938975e-01 -3.153938975e-01 4.56 -3.032698332e-01 -3.032698332e-01 4.58 -2.916085640e-01 -2.916085640e-01 4.60 -2.803562907e-01 -2.803562907e-01 4.62 -2.694599306e-01 -2.694599306e-01 4.64 -2.588680696e-01 -2.588680696e-01 4.66 -2.485317219e-01 -2.485317219e-01 4.68 -2.384049624e-01 -2.384049624e-01 4.70 -2.284454946e-01 -2.284454946e-01 4.72 -2.186152107e-01 -2.186152107e-01 4.74 -2.088807845e-01 -2.088807845e-01 4.76 -1.992143208e-01 -1.992143208e-01 4.78 -1.895940640e-01 -1.895940640e-01 4.80 -1.800051339e-01 -1.800051339e-01 4.82 -1.704402787e-01 -1.704402787e-01 4.84 -1.609004708e-01 -1.609004708e-01 4.86 -1.513953824e-01 -1.513953824e-01 4.88 -1.419435286e-01 -1.419435286e-01 4.90 -1.325720197e-01 -1.325720197e-01 4.92 -1.233158236e-01 -1.233158236e-01 4.94 -1.142165054e-01 -1.142165054e-01 4.96 -1.053204616e-01 -1.053204616e-01 4.98 -9.667673252e-02 -9.667673252e-02 5.00 -8.833455117e-02 -8.833455117e-02 5.02 -8.034083338e-02 -8.034083338e-02 5.04 -7.273781742e-02 -7.273781742e-02 5.06 -6.556106225e-02 -6.556106225e-02 5.08 -5.883774953e-02 -5.883774953e-02 5.10 -5.258595228e-02 -5.258595228e-02 5.12 -4.681507862e-02 -4.681507862e-02 5.14 -4.152545159e-02 -4.152545159e-02 5.16 -3.670910931e-02 -3.670910931e-02 5.18 -3.235097257e-02 -3.235097257e-02 5.20 -2.843020232e-02 -2.843020232e-02 5.22 -2.492161729e-02 -2.492161729e-02 5.24 -2.179706443e-02 -2.179706443e-02 5.26 -1.902666938e-02 -1.902666938e-02 5.28 -1.657991494e-02 -1.657991494e-02 5.30 -1.442651477e-02 -1.442651477e-02 5.32 -1.253684762e-02 -1.253684762e-02 5.34 -1.088310202e-02 -1.088310202e-02 5.36 -9.439334701e-03 -9.439334701e-03 5.38 -8.181497983e-03 -8.181497983e-03 5.40 -7.087570868e-03 -7.087570868e-03 5.42 -6.137591973e-03 -6.137591973e-03 5.44 -5.313620428e-03 -5.313620428e-03 5.46 -4.599646667e-03 -4.599646667e-03 5.48 -3.981470799e-03 -3.981470799e-03 5.50 -3.446562323e-03 -3.446562323e-03 5.52 -2.983911549e-03 -2.983911549e-03 5.54 -2.583880205e-03 -2.583880205e-03 5.56 -2.238056431e-03 -2.238056431e-03 5.58 -1.939117570e-03 -1.939117570e-03 5.60 -1.680702768e-03 -1.680702768e-03 5.62 -1.457296449e-03 -1.457296449e-03 5.64 -1.264122941e-03 -1.264122941e-03 5.66 -1.097052106e-03 -1.097052106e-03 5.68 -9.525154475e-04 -9.525154475e-04 5.70 -8.274320012e-04 -8.274320012e-04 5.72 -7.191432117e-04 -7.191432117e-04 5.74 -6.253559366e-04 -6.253559366e-04 5.76 -5.440927474e-04 -5.440927474e-04 5.78 -4.736487151e-04 -4.736487151e-04 5.80 -4.125539263e-04 -4.125539263e-04 5.82 -3.595410343e-04 -3.595410343e-04 5.84 -3.135172130e-04 -3.135172130e-04 5.86 -2.735399499e-04 -2.735399499e-04 5.88 -2.387961729e-04 -2.387961729e-04 5.90 -2.085842683e-04 -2.085842683e-04 5.92 -1.822985977e-04 -1.822985977e-04 5.94 -1.594161745e-04 -1.594161745e-04 5.96 -1.394852012e-04 -1.394852012e-04 5.98 -1.221152102e-04 -1.221152102e-04 6.00 -1.069685847e-04 -1.069685847e-04