# 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 = AuMgTa2 # 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 4.587653641e+02 4.587653641e+02 1.30 4.260473695e+02 4.260473695e+02 1.32 3.957442319e+02 3.957442319e+02 1.34 3.676629951e+02 3.676629951e+02 1.36 3.416248330e+02 3.416248330e+02 1.38 3.174652462e+02 3.174652462e+02 1.40 2.950339143e+02 2.950339143e+02 1.42 2.741939471e+02 2.741939471e+02 1.44 2.548207864e+02 2.548207864e+02 1.46 2.368011381e+02 2.368011381e+02 1.48 2.200321083e+02 2.200321083e+02 1.50 2.044204173e+02 2.044204173e+02 1.52 1.898814177e+02 1.898814177e+02 1.54 1.763378489e+02 1.763378489e+02 1.56 1.637185603e+02 1.637185603e+02 1.58 1.519575519e+02 1.519575519e+02 1.60 1.409934823e+02 1.409934823e+02 1.62 1.307694952e+02 1.307694952e+02 1.64 1.212331041e+02 1.212331041e+02 1.66 1.123359679e+02 1.123359679e+02 1.68 1.040335584e+02 1.040335584e+02 1.70 9.628478068e+01 9.628478068e+01 1.72 8.905161820e+01 8.905161820e+01 1.74 8.229881730e+01 8.229881730e+01 1.76 7.599360304e+01 7.599360304e+01 1.78 7.010541132e+01 7.010541132e+01 1.80 6.460564586e+01 6.460564586e+01 1.82 5.946749570e+01 5.946749570e+01 1.84 5.466662285e+01 5.466662285e+01 1.86 5.018717377e+01 5.018717377e+01 1.88 4.600872716e+01 4.600872716e+01 1.90 4.211277588e+01 4.211277588e+01 1.92 3.848980269e+01 3.848980269e+01 1.94 3.512263120e+01 3.512263120e+01 1.96 3.199455320e+01 3.199455320e+01 1.98 2.909021281e+01 2.909021281e+01 2.00 2.639531605e+01 2.639531605e+01 2.02 2.389638828e+01 2.389638828e+01 2.04 2.158058471e+01 2.158058471e+01 2.06 1.943559667e+01 1.943559667e+01 2.08 1.744965518e+01 1.744965518e+01 2.10 1.561159426e+01 1.561159426e+01 2.12 1.391092885e+01 1.391092885e+01 2.14 1.233790834e+01 1.233790834e+01 2.16 1.088353052e+01 1.088353052e+01 2.18 9.539514558e+00 9.539514558e+00 2.20 8.298243743e+00 8.298243743e+00 2.22 7.152688118e+00 7.152688118e+00 2.24 6.096320123e+00 6.096320123e+00 2.26 5.123030646e+00 5.123030646e+00 2.28 4.227052350e+00 4.227052350e+00 2.30 3.402894995e+00 3.402894995e+00 2.32 2.645301360e+00 2.645301360e+00 2.34 1.949230856e+00 1.949230856e+00 2.36 1.309870820e+00 1.309870820e+00 2.38 7.226723716e-01 7.226723716e-01 2.40 1.833968726e-01 1.833968726e-01 2.42 -3.118434686e-01 -3.118434686e-01 2.44 -7.665632970e-01 -7.665632970e-01 2.46 -1.183907847e+00 -1.183907847e+00 2.48 -1.566679357e+00 -1.566679357e+00 2.50 -1.917378855e+00 -1.917378855e+00 2.52 -2.238104938e+00 -2.238104938e+00 2.54 -2.530872426e+00 -2.530872426e+00 2.56 -2.797798997e+00 -2.797798997e+00 2.58 -3.040810858e+00 -3.040810858e+00 2.60 -3.261675688e+00 -3.261675688e+00 2.62 -3.462024271e+00 -3.462024271e+00 2.64 -3.643362111e+00 -3.643362111e+00 2.66 -3.807068229e+00 -3.807068229e+00 2.68 -3.954183454e+00 -3.954183454e+00 2.70 -4.085389239e+00 -4.085389239e+00 2.72 -4.201358085e+00 -4.201358085e+00 2.74 -4.302764198e+00 -4.302764198e+00 2.76 -4.390271373e+00 -4.390271373e+00 2.78 -4.464525645e+00 -4.464525645e+00 2.80 -4.526151933e+00 -4.526151933e+00 2.82 -4.575751874e+00 -4.575751874e+00 2.84 -4.613904847e+00 -4.613904847e+00 2.86 -4.641169521e+00 -4.641169521e+00 2.88 -4.658086227e+00 -4.658086227e+00 2.90 -4.665179358e+00 -4.665179358e+00 2.92 -4.662959268e+00 -4.662959268e+00 2.94 -4.651923258e+00 -4.651923258e+00 2.96 -4.632555504e+00 -4.632555504e+00 2.98 -4.605325981e+00 -4.605325981e+00 3.00 -4.570733083e+00 -4.570733083e+00 3.02 -4.529225455e+00 -4.529225455e+00 3.04 -4.481159805e+00 -4.481159805e+00 3.06 -4.426884405e+00 -4.426884405e+00 3.08 -4.366737632e+00 -4.366737632e+00 3.10 -4.301049272e+00 -4.301049272e+00 3.12 -4.230143820e+00 -4.230143820e+00 3.14 -4.154347952e+00 -4.154347952e+00 3.16 -4.073998309e+00 -4.073998309e+00 3.18 -3.989452137e+00 -3.989452137e+00 3.20 -3.901096450e+00 -3.901096450e+00 3.22 -3.809363842e+00 -3.809363842e+00 3.24 -3.714741107e+00 -3.714741107e+00 3.26 -3.617771515e+00 -3.617771515e+00 3.28 -3.519050139e+00 -3.519050139e+00 3.30 -3.419211430e+00 -3.419211430e+00 3.32 -3.318909425e+00 -3.318909425e+00 3.34 -3.218792318e+00 -3.218792318e+00 3.36 -3.119474268e+00 -3.119474268e+00 3.38 -3.021507946e+00 -3.021507946e+00 3.40 -2.925361179e+00 -2.925361179e+00 3.42 -2.831400544e+00 -2.831400544e+00 3.44 -2.739882777e+00 -2.739882777e+00 3.46 -2.650954843e+00 -2.650954843e+00 3.48 -2.564661081e+00 -2.564661081e+00 3.50 -2.480955954e+00 -2.480955954e+00 3.52 -2.399720367e+00 -2.399720367e+00 3.54 -2.320779670e+00 -2.320779670e+00 3.56 -2.243921773e+00 -2.243921773e+00 3.58 -2.168914437e+00 -2.168914437e+00 3.60 -2.095545368e+00 -2.095545368e+00 3.62 -2.023573724e+00 -2.023573724e+00 3.64 -1.952751942e+00 -1.952751942e+00 3.66 -1.882866255e+00 -1.882866255e+00 3.68 -1.813745077e+00 -1.813745077e+00 3.70 -1.745263749e+00 -1.745263749e+00 3.72 -1.677277305e+00 -1.677277305e+00 3.74 -1.609610851e+00 -1.609610851e+00 3.76 -1.542160461e+00 -1.542160461e+00 3.78 -1.474903142e+00 -1.474903142e+00 3.80 -1.407897269e+00 -1.407897269e+00 3.82 -1.341279001e+00 -1.341279001e+00 3.84 -1.275254103e+00 -1.275254103e+00 3.86 -1.210085138e+00 -1.210085138e+00 3.88 -1.146074659e+00 -1.146074659e+00 3.90 -1.083545641e+00 -1.083545641e+00 3.92 -1.022820809e+00 -1.022820809e+00 3.94 -9.642033692e-01 -9.642033692e-01 3.96 -9.079594189e-01 -9.079594189e-01 3.98 -8.543055097e-01 -8.543055097e-01 4.00 -8.034004875e-01 -8.034004875e-01 4.02 -7.553423925e-01 -7.553423925e-01 4.04 -7.101698301e-01 -7.101698301e-01 4.06 -6.678669372e-01 -6.678669372e-01 4.08 -6.283708724e-01 -6.283708724e-01 4.10 -5.915803612e-01 -5.915803612e-01 4.12 -5.573666838e-01 -5.573666838e-01 4.14 -5.255802587e-01 -5.255802587e-01 4.16 -4.960606908e-01 -4.960606908e-01 4.18 -4.686434009e-01 -4.686434009e-01 4.20 -4.431654063e-01 -4.431654063e-01 4.22 -4.194697510e-01 -4.194697510e-01 4.24 -3.974086412e-01 -3.974086412e-01 4.26 -3.768454012e-01 -3.768454012e-01 4.28 -3.576553982e-01 -3.576553982e-01 4.30 -3.397261063e-01 -3.397261063e-01 4.32 -3.229564965e-01 -3.229564965e-01 4.34 -3.072559492e-01 -3.072559492e-01 4.36 -2.925428842e-01 -2.925428842e-01 4.38 -2.787432960e-01 -2.787432960e-01 4.40 -2.657893502e-01 -2.657893502e-01 4.42 -2.536181648e-01 -2.536181648e-01 4.44 -2.421708446e-01 -2.421708446e-01 4.46 -2.313917983e-01 -2.313917983e-01 4.48 -2.212283057e-01 -2.212283057e-01 4.50 -2.116302899e-01 -2.116302899e-01 4.52 -2.025502745e-01 -2.025502745e-01 4.54 -1.939434071e-01 -1.939434071e-01 4.56 -1.857666852e-01 -1.857666852e-01 4.58 -1.779807479e-01 -1.779807479e-01 4.60 -1.705497159e-01 -1.705497159e-01 4.62 -1.634400785e-01 -1.634400785e-01 4.64 -1.566208596e-01 -1.566208596e-01 4.66 -1.500636888e-01 -1.500636888e-01 4.68 -1.437428136e-01 -1.437428136e-01 4.70 -1.376350853e-01 -1.376350853e-01 4.72 -1.317199379e-01 -1.317199379e-01 4.74 -1.259793771e-01 -1.259793771e-01 4.76 -1.203979847e-01 -1.203979847e-01 4.78 -1.149629398e-01 -1.149629398e-01 4.80 -1.096638451e-01 -1.096638451e-01 4.82 -1.044936211e-01 -1.044936211e-01 4.84 -9.944716365e-02 -9.944716365e-02 4.86 -9.452226780e-02 -9.452226780e-02 4.88 -8.971926973e-02 -8.971926973e-02 4.90 -8.504093681e-02 -8.504093681e-02 4.92 -8.049218558e-02 -8.049218558e-02 4.94 -7.607970767e-02 -7.607970767e-02 4.96 -7.181150581e-02 -7.181150581e-02 4.98 -6.769634648e-02 -6.769634648e-02 5.00 -6.374315860e-02 -6.374315860e-02 5.02 -5.996041815e-02 -5.996041815e-02 5.04 -5.635556425e-02 -5.635556425e-02 5.06 -5.293449165e-02 -5.293449165e-02 5.08 -4.970115319e-02 -4.970115319e-02 5.10 -4.665730838e-02 -4.665730838e-02 5.12 -4.380242078e-02 -4.380242078e-02 5.14 -4.113370086e-02 -4.113370086e-02 5.16 -3.864627616e-02 -3.864627616e-02 5.18 -3.633346011e-02 -3.633346011e-02 5.20 -3.418709018e-02 -3.418709018e-02 5.22 -3.219789384e-02 -3.219789384e-02 5.24 -3.035585857e-02 -3.035585857e-02 5.26 -2.865058178e-02 -2.865058178e-02 5.28 -2.707158235e-02 -2.707158235e-02 5.30 -2.560856373e-02 -2.560856373e-02 5.32 -2.425162392e-02 -2.425162392e-02 5.34 -2.299141271e-02 -2.299141271e-02 5.36 -2.181923918e-02 -2.181923918e-02 5.38 -2.072713483e-02 -2.072713483e-02 5.40 -1.970787826e-02 -1.970787826e-02 5.42 -1.875496578e-02 -1.875496578e-02 5.44 -1.786257194e-02 -1.786257194e-02 5.46 -1.702559838e-02 -1.702559838e-02 5.48 -1.623953547e-02 -1.623953547e-02 5.50 -1.550038662e-02 -1.550038662e-02 5.52 -1.480459478e-02 -1.480459478e-02 5.54 -1.414897104e-02 -1.414897104e-02 5.56 -1.353062914e-02 -1.353062914e-02 5.58 -1.294692864e-02 -1.294692864e-02 5.60 -1.239542836e-02 -1.239542836e-02 5.62 -1.187385041e-02 -1.187385041e-02 5.64 -1.138005421e-02 -1.138005421e-02 5.66 -1.091201905e-02 -1.091201905e-02 5.68 -1.046783335e-02 -1.046783335e-02 5.70 -1.004568876e-02 -1.004568876e-02 5.72 -9.643877119e-03 -9.643877119e-03 5.74 -9.260788897e-03 -9.260788897e-03 5.76 -8.894911974e-03 -8.894911974e-03 5.78 -8.544830011e-03 -8.544830011e-03 5.80 -8.209220090e-03 -8.209220090e-03 5.82 -7.886849535e-03 -7.886849535e-03 5.84 -7.576572028e-03 -7.576572028e-03 5.86 -7.277323272e-03 -7.277323272e-03 5.88 -6.988116489e-03 -6.988116489e-03 5.90 -6.708038076e-03 -6.708038076e-03 5.92 -6.436243717e-03 -6.436243717e-03 5.94 -6.171955212e-03 -6.171955212e-03 5.96 -5.914458248e-03 -5.914458248e-03 5.98 -5.663101254e-03 -5.663101254e-03 6.00 -5.417295476e-03 -5.417295476e-03