# 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 = AuCoPb2 # 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 3.633659812e+02 3.633659812e+02 1.30 3.387971430e+02 3.387971430e+02 1.32 3.159614724e+02 3.159614724e+02 1.34 2.947217797e+02 2.947217797e+02 1.36 2.749523669e+02 2.749523669e+02 1.38 2.565383599e+02 2.565383599e+02 1.40 2.393754727e+02 2.393754727e+02 1.42 2.233695572e+02 2.233695572e+02 1.44 2.084357666e+02 2.084357666e+02 1.46 1.944973406e+02 1.944973406e+02 1.48 1.814840175e+02 1.814840175e+02 1.50 1.693304723e+02 1.693304723e+02 1.52 1.579753579e+02 1.579753579e+02 1.54 1.473611348e+02 1.473611348e+02 1.56 1.374342526e+02 1.374342526e+02 1.58 1.281452899e+02 1.281452899e+02 1.60 1.194489060e+02 1.194489060e+02 1.62 1.113036923e+02 1.113036923e+02 1.64 1.036719244e+02 1.036719244e+02 1.66 9.651921390e+01 9.651921390e+01 1.68 8.981400935e+01 8.981400935e+01 1.70 8.352735673e+01 8.352735673e+01 1.72 7.764110951e+01 7.764110951e+01 1.74 7.213699629e+01 7.213699629e+01 1.76 6.700037534e+01 6.700037534e+01 1.78 6.220658248e+01 6.220658248e+01 1.80 5.773203620e+01 5.773203620e+01 1.82 5.355482126e+01 5.355482126e+01 1.84 4.965456780e+01 4.965456780e+01 1.86 4.601236833e+01 4.601236833e+01 1.88 4.261074226e+01 4.261074226e+01 1.90 3.943357691e+01 3.943357691e+01 1.92 3.646602685e+01 3.646602685e+01 1.94 3.369439487e+01 3.369439487e+01 1.96 3.110600045e+01 3.110600045e+01 1.98 2.868905266e+01 2.868905266e+01 2.00 2.643252958e+01 2.643252958e+01 2.02 2.432607722e+01 2.432607722e+01 2.04 2.235993866e+01 2.235993866e+01 2.06 2.052492396e+01 2.052492396e+01 2.08 1.881241319e+01 1.881241319e+01 2.10 1.721436164e+01 1.721436164e+01 2.12 1.572329897e+01 1.572329897e+01 2.14 1.433230438e+01 1.433230438e+01 2.16 1.303496487e+01 1.303496487e+01 2.18 1.182532628e+01 1.182532628e+01 2.20 1.069784030e+01 1.069784030e+01 2.22 9.647322611e+00 9.647322611e+00 2.24 8.668918211e+00 8.668918211e+00 2.26 7.758075256e+00 7.758075256e+00 2.28 6.910526597e+00 6.910526597e+00 2.30 6.122268823e+00 6.122268823e+00 2.32 5.389544231e+00 5.389544231e+00 2.34 4.708825094e+00 4.708825094e+00 2.36 4.076792151e+00 4.076792151e+00 2.38 3.490317211e+00 3.490317211e+00 2.40 2.946447518e+00 2.946447518e+00 2.42 2.442395031e+00 2.442395031e+00 2.44 1.975530213e+00 1.975530213e+00 2.46 1.543381737e+00 1.543381737e+00 2.48 1.143638193e+00 1.143638193e+00 2.50 7.741495668e-01 7.741495668e-01 2.52 4.329256449e-01 4.329256449e-01 2.54 1.181294258e-01 1.181294258e-01 2.56 -1.719351216e-01 -1.719351216e-01 2.58 -4.388411857e-01 -4.388411857e-01 2.60 -6.840932897e-01 -6.840932897e-01 2.62 -9.090539216e-01 -9.090539216e-01 2.64 -1.114989745e+00 -1.114989745e+00 2.66 -1.303104880e+00 -1.303104880e+00 2.68 -1.474544643e+00 -1.474544643e+00 2.70 -1.630393487e+00 -1.630393487e+00 2.72 -1.771686752e+00 -1.771686752e+00 2.74 -1.899447073e+00 -1.899447073e+00 2.76 -2.014525307e+00 -2.014525307e+00 2.78 -2.117674928e+00 -2.117674928e+00 2.80 -2.209589634e+00 -2.209589634e+00 2.82 -2.290933089e+00 -2.290933089e+00 2.84 -2.362339713e+00 -2.362339713e+00 2.86 -2.424413748e+00 -2.424413748e+00 2.88 -2.477729526e+00 -2.477729526e+00 2.90 -2.522832056e+00 -2.522832056e+00 2.92 -2.560235104e+00 -2.560235104e+00 2.94 -2.590428864e+00 -2.590428864e+00 2.96 -2.613886825e+00 -2.613886825e+00 2.98 -2.631070523e+00 -2.631070523e+00 3.00 -2.642433782e+00 -2.642433782e+00 3.02 -2.648425378e+00 -2.648425378e+00 3.04 -2.649488537e+00 -2.649488537e+00 3.06 -2.646060767e+00 -2.646060767e+00 3.08 -2.638564681e+00 -2.638564681e+00 3.10 -2.627405015e+00 -2.627405015e+00 3.12 -2.612961649e+00 -2.612961649e+00 3.14 -2.595591396e+00 -2.595591396e+00 3.16 -2.575619584e+00 -2.575619584e+00 3.18 -2.553357592e+00 -2.553357592e+00 3.20 -2.529142593e+00 -2.529142593e+00 3.22 -2.503171712e+00 -2.503171712e+00 3.24 -2.475610111e+00 -2.475610111e+00 3.26 -2.446613479e+00 -2.446613479e+00 3.28 -2.416325888e+00 -2.416325888e+00 3.30 -2.384878918e+00 -2.384878918e+00 3.32 -2.352392084e+00 -2.352392084e+00 3.34 -2.318974073e+00 -2.318974073e+00 3.36 -2.284718805e+00 -2.284718805e+00 3.38 -2.249697692e+00 -2.249697692e+00 3.40 -2.213978922e+00 -2.213978922e+00 3.42 -2.177631874e+00 -2.177631874e+00 3.44 -2.140725165e+00 -2.140725165e+00 3.46 -2.103327518e+00 -2.103327518e+00 3.48 -2.065506788e+00 -2.065506788e+00 3.50 -2.027329269e+00 -2.027329269e+00 3.52 -1.988859063e+00 -1.988859063e+00 3.54 -1.950157620e+00 -1.950157620e+00 3.56 -1.911283503e+00 -1.911283503e+00 3.58 -1.872292434e+00 -1.872292434e+00 3.60 -1.833237621e+00 -1.833237621e+00 3.62 -1.794170329e+00 -1.794170329e+00 3.64 -1.755140623e+00 -1.755140623e+00 3.66 -1.716198156e+00 -1.716198156e+00 3.68 -1.677392858e+00 -1.677392858e+00 3.70 -1.638775342e+00 -1.638775342e+00 3.72 -1.600396905e+00 -1.600396905e+00 3.74 -1.562309049e+00 -1.562309049e+00 3.76 -1.524562533e+00 -1.524562533e+00 3.78 -1.487206105e+00 -1.487206105e+00 3.80 -1.450285103e+00 -1.450285103e+00 3.82 -1.413840180e+00 -1.413840180e+00 3.84 -1.377906347e+00 -1.377906347e+00 3.86 -1.342512463e+00 -1.342512463e+00 3.88 -1.307681195e+00 -1.307681195e+00 3.90 -1.273429369e+00 -1.273429369e+00 3.92 -1.239767870e+00 -1.239767870e+00 3.94 -1.206705480e+00 -1.206705480e+00 3.96 -1.174244821e+00 -1.174244821e+00 3.98 -1.142386463e+00 -1.142386463e+00 4.00 -1.111128638e+00 -1.111128638e+00 4.02 -1.080467735e+00 -1.080467735e+00 4.04 -1.050398718e+00 -1.050398718e+00 4.06 -1.020915492e+00 -1.020915492e+00 4.08 -9.920112614e-01 -9.920112614e-01 4.10 -9.636769621e-01 -9.636769621e-01 4.12 -9.359098384e-01 -9.359098384e-01 4.14 -9.087011069e-01 -9.087011069e-01 4.16 -8.820454712e-01 -8.820454712e-01 4.18 -8.559392573e-01 -8.559392573e-01 4.20 -8.303808742e-01 -8.303808742e-01 4.22 -8.053711427e-01 -8.053711427e-01 4.24 -7.809134124e-01 -7.809134124e-01 4.26 -7.570133974e-01 -7.570133974e-01 4.28 -7.336786923e-01 -7.336786923e-01 4.30 -7.109179750e-01 -7.109179750e-01 4.32 -6.887399624e-01 -6.887399624e-01 4.34 -6.671522358e-01 -6.671522358e-01 4.36 -6.461600860e-01 -6.461600860e-01 4.38 -6.257655285e-01 -6.257655285e-01 4.40 -6.059666113e-01 -6.059666113e-01 4.42 -5.867570783e-01 -5.867570783e-01 4.44 -5.681263936e-01 -5.681263936e-01 4.46 -5.500600748e-01 -5.500600748e-01 4.48 -5.325402475e-01 -5.325402475e-01 4.50 -5.155463248e-01 -5.155463248e-01 4.52 -4.990557180e-01 -4.990557180e-01 4.54 -4.830445118e-01 -4.830445118e-01 4.56 -4.674880561e-01 -4.674880561e-01 4.58 -4.523614580e-01 -4.523614580e-01 4.60 -4.376399719e-01 -4.376399719e-01 4.62 -4.232993053e-01 -4.232993053e-01 4.64 -4.093158596e-01 -4.093158596e-01 4.66 -3.956669355e-01 -3.956669355e-01 4.68 -3.823309264e-01 -3.823309264e-01 4.70 -3.692875234e-01 -3.692875234e-01 4.72 -3.565179492e-01 -3.565179492e-01 4.74 -3.440052324e-01 -3.440052324e-01 4.76 -3.317345254e-01 -3.317345254e-01 4.78 -3.196934587e-01 -3.196934587e-01 4.80 -3.078710186e-01 -3.078710186e-01 4.82 -2.962641339e-01 -2.962641339e-01 4.84 -2.848682679e-01 -2.848682679e-01 4.86 -2.736844114e-01 -2.736844114e-01 4.88 -2.627173731e-01 -2.627173731e-01 4.90 -2.519756478e-01 -2.519756478e-01 4.92 -2.414710490e-01 -2.414710490e-01 4.94 -2.312180919e-01 -2.312180919e-01 4.96 -2.212331468e-01 -2.212331468e-01 4.98 -2.115334120e-01 -2.115334120e-01 5.00 -2.021357938e-01 -2.021357938e-01 5.02 -1.930557940e-01 -1.930557940e-01 5.04 -1.843065169e-01 -1.843065169e-01 5.06 -1.758978910e-01 -1.758978910e-01 5.08 -1.678361716e-01 -1.678361716e-01 5.10 -1.601237531e-01 -1.601237531e-01 5.12 -1.527592812e-01 -1.527592812e-01 5.14 -1.457380079e-01 -1.457380079e-01 5.16 -1.390523361e-01 -1.390523361e-01 5.18 -1.326924639e-01 -1.326924639e-01 5.20 -1.266470490e-01 -1.266470490e-01 5.22 -1.209038296e-01 -1.209038296e-01 5.24 -1.154501433e-01 -1.154501433e-01 5.26 -1.102733281e-01 -1.102733281e-01 5.28 -1.053609914e-01 -1.053609914e-01 5.30 -1.007011530e-01 -1.007011530e-01 5.32 -9.628228194e-02 -9.628228194e-02 5.34 -9.209274236e-02 -9.209274236e-02 5.36 -8.812128700e-02 -8.812128700e-02 5.38 -8.435790165e-02 -8.435790165e-02 5.40 -8.079248687e-02 -8.079248687e-02 5.42 -7.741481657e-02 -7.741481657e-02 5.44 -7.421453640e-02 -7.421453640e-02 5.46 -7.118118846e-02 -7.118118846e-02 5.48 -6.830426114e-02 -6.830426114e-02 5.50 -6.557325886e-02 -6.557325886e-02 5.52 -6.297778435e-02 -6.297778435e-02 5.54 -6.050762534e-02 -6.050762534e-02 5.56 -5.815283862e-02 -5.815283862e-02 5.58 -5.590382596e-02 -5.590382596e-02 5.60 -5.375139821e-02 -5.375139821e-02 5.62 -5.168682604e-02 -5.168682604e-02 5.64 -4.970187715e-02 -4.970187715e-02 5.66 -4.778884133e-02 -4.778884133e-02 5.68 -4.594054525e-02 -4.594054525e-02 5.70 -4.415035956e-02 -4.415035956e-02 5.72 -4.241220096e-02 -4.241220096e-02 5.74 -4.072053144e-02 -4.072053144e-02 5.76 -3.907035711e-02 -3.907035711e-02 5.78 -3.745722808e-02 -3.745722808e-02 5.80 -3.587724044e-02 -3.587724044e-02 5.82 -3.432704114e-02 -3.432704114e-02 5.84 -3.280383524e-02 -3.280383524e-02 5.86 -3.130539518e-02 -3.130539518e-02 5.88 -2.983007034e-02 -2.983007034e-02 5.90 -2.837679520e-02 -2.837679520e-02 5.92 -2.694509354e-02 -2.694509354e-02 5.94 -2.553507597e-02 -2.553507597e-02 5.96 -2.414742796e-02 -2.414742796e-02 5.98 -2.278338500e-02 -2.278338500e-02 6.00 -2.144469363e-02 -2.144469363e-02