# 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 = AgAl2Ni # 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 1.182172025e+02 1.182172025e+02 1.30 1.095422946e+02 1.095422946e+02 1.32 1.015022014e+02 1.015022014e+02 1.34 9.404580442e+01 9.404580442e+01 1.36 8.712677982e+01 8.712677982e+01 1.38 8.070426545e+01 8.070426545e+01 1.40 7.474198866e+01 7.474198866e+01 1.42 6.920653785e+01 6.920653785e+01 1.44 6.406573149e+01 6.406573149e+01 1.46 5.928791513e+01 5.928791513e+01 1.48 5.484272548e+01 5.484272548e+01 1.50 5.070278797e+01 5.070278797e+01 1.52 4.684485879e+01 4.684485879e+01 1.54 4.324947935e+01 4.324947935e+01 1.56 3.989963125e+01 3.989963125e+01 1.58 3.677944656e+01 3.677944656e+01 1.60 3.387449316e+01 3.387449316e+01 1.62 3.117039455e+01 3.117039455e+01 1.64 2.865490583e+01 2.865490583e+01 1.66 2.631532380e+01 2.631532380e+01 1.68 2.413784648e+01 2.413784648e+01 1.70 2.210972474e+01 2.210972474e+01 1.72 2.021952406e+01 2.021952406e+01 1.74 1.845713695e+01 1.845713695e+01 1.76 1.681356244e+01 1.681356244e+01 1.78 1.528066834e+01 1.528066834e+01 1.80 1.385109035e+01 1.385109035e+01 1.82 1.251823623e+01 1.251823623e+01 1.84 1.127626836e+01 1.127626836e+01 1.86 1.011998258e+01 1.011998258e+01 1.88 9.044592927e+00 9.044592927e+00 1.90 8.045487763e+00 8.045487763e+00 1.92 7.118027764e+00 7.118027764e+00 1.94 6.257441191e+00 6.257441191e+00 1.96 5.458846563e+00 5.458846563e+00 1.98 4.717395763e+00 4.717395763e+00 2.00 4.028486667e+00 4.028486667e+00 2.02 3.387965853e+00 3.387965853e+00 2.04 2.792245252e+00 2.792245252e+00 2.06 2.238295315e+00 2.238295315e+00 2.08 1.723534631e+00 1.723534631e+00 2.10 1.245676561e+00 1.245676561e+00 2.12 8.025936846e-01 8.025936846e-01 2.14 3.922322613e-01 3.922322613e-01 2.16 1.257925039e-02 1.257925039e-02 2.18 -3.383319122e-01 -3.383319122e-01 2.20 -6.623948079e-01 -6.623948079e-01 2.22 -9.613992100e-01 -9.613992100e-01 2.24 -1.237007196e+00 -1.237007196e+00 2.26 -1.490740956e+00 -1.490740956e+00 2.28 -1.723981838e+00 -1.723981838e+00 2.30 -1.937977693e+00 -1.937977693e+00 2.32 -2.133855183e+00 -2.133855183e+00 2.34 -2.312632774e+00 -2.312632774e+00 2.36 -2.475231627e+00 -2.475231627e+00 2.38 -2.622484337e+00 -2.622484337e+00 2.40 -2.755145566e+00 -2.755145566e+00 2.42 -2.873909386e+00 -2.873909386e+00 2.44 -2.979434649e+00 -2.979434649e+00 2.46 -3.072375233e+00 -3.072375233e+00 2.48 -3.153406431e+00 -3.153406431e+00 2.50 -3.223246575e+00 -3.223246575e+00 2.52 -3.282670734e+00 -3.282670734e+00 2.54 -3.332515666e+00 -3.332515666e+00 2.56 -3.373679224e+00 -3.373679224e+00 2.58 -3.407112396e+00 -3.407112396e+00 2.60 -3.433798704e+00 -3.433798704e+00 2.62 -3.454695520e+00 -3.454695520e+00 2.64 -3.471393549e+00 -3.471393549e+00 2.66 -3.485144901e+00 -3.485144901e+00 2.68 -3.495976339e+00 -3.495976339e+00 2.70 -3.503900421e+00 -3.503900421e+00 2.72 -3.508901344e+00 -3.508901344e+00 2.74 -3.510937203e+00 -3.510937203e+00 2.76 -3.509951479e+00 -3.509951479e+00 2.78 -3.505885051e+00 -3.505885051e+00 2.80 -3.498747302e+00 -3.498747302e+00 2.82 -3.488501588e+00 -3.488501588e+00 2.84 -3.475072859e+00 -3.475072859e+00 2.86 -3.458406927e+00 -3.458406927e+00 2.88 -3.438467881e+00 -3.438467881e+00 2.90 -3.415239880e+00 -3.415239880e+00 2.92 -3.388731754e+00 -3.388731754e+00 2.94 -3.358984084e+00 -3.358984084e+00 2.96 -3.326078279e+00 -3.326078279e+00 2.98 -3.290146648e+00 -3.290146648e+00 3.00 -3.251383318e+00 -3.251383318e+00 3.02 -3.210050548e+00 -3.210050548e+00 3.04 -3.166473525e+00 -3.166473525e+00 3.06 -3.121029324e+00 -3.121029324e+00 3.08 -3.074126749e+00 -3.074126749e+00 3.10 -3.026179538e+00 -3.026179538e+00 3.12 -2.977577751e+00 -2.977577751e+00 3.14 -2.928663191e+00 -2.928663191e+00 3.16 -2.879713147e+00 -2.879713147e+00 3.18 -2.830934544e+00 -2.830934544e+00 3.20 -2.782467334e+00 -2.782467334e+00 3.22 -2.734394386e+00 -2.734394386e+00 3.24 -2.686754456e+00 -2.686754456e+00 3.26 -2.639555365e+00 -2.639555365e+00 3.28 -2.592785533e+00 -2.592785533e+00 3.30 -2.546423037e+00 -2.546423037e+00 3.32 -2.500442149e+00 -2.500442149e+00 3.34 -2.454817696e+00 -2.454817696e+00 3.36 -2.409527766e+00 -2.409527766e+00 3.38 -2.364555218e+00 -2.364555218e+00 3.40 -2.319888373e+00 -2.319888373e+00 3.42 -2.275521168e+00 -2.275521168e+00 3.44 -2.231452883e+00 -2.231452883e+00 3.46 -2.187687627e+00 -2.187687627e+00 3.48 -2.144233613e+00 -2.144233613e+00 3.50 -2.101102327e+00 -2.101102327e+00 3.52 -2.058307649e+00 -2.058307649e+00 3.54 -2.015864995e+00 -2.015864995e+00 3.56 -1.973790524e+00 -1.973790524e+00 3.58 -1.932100428e+00 -1.932100428e+00 3.60 -1.890810312e+00 -1.890810312e+00 3.62 -1.849934671e+00 -1.849934671e+00 3.64 -1.809486455e+00 -1.809486455e+00 3.66 -1.769476735e+00 -1.769476735e+00 3.68 -1.729914514e+00 -1.729914514e+00 3.70 -1.690806687e+00 -1.690806687e+00 3.72 -1.652158208e+00 -1.652158208e+00 3.74 -1.613972458e+00 -1.613972458e+00 3.76 -1.576251795e+00 -1.576251795e+00 3.78 -1.538998216e+00 -1.538998216e+00 3.80 -1.502214027e+00 -1.502214027e+00 3.82 -1.465902362e+00 -1.465902362e+00 3.84 -1.430067411e+00 -1.430067411e+00 3.86 -1.394714243e+00 -1.394714243e+00 3.88 -1.359848148e+00 -1.359848148e+00 3.90 -1.325473572e+00 -1.325473572e+00 3.92 -1.291592768e+00 -1.291592768e+00 3.94 -1.258204435e+00 -1.258204435e+00 3.96 -1.225302463e+00 -1.225302463e+00 3.98 -1.192875174e+00 -1.192875174e+00 4.00 -1.160905042e+00 -1.160905042e+00 4.02 -1.129368999e+00 -1.129368999e+00 4.04 -1.098239278e+00 -1.098239278e+00 4.06 -1.067484689e+00 -1.067484689e+00 4.08 -1.037072241e+00 -1.037072241e+00 4.10 -1.006968987e+00 -1.006968987e+00 4.12 -9.771441388e-01 -9.771441388e-01 4.14 -9.475711007e-01 -9.475711007e-01 4.16 -9.182297412e-01 -9.182297412e-01 4.18 -8.891085111e-01 -8.891085111e-01 4.20 -8.602063930e-01 -8.602063930e-01 4.22 -8.315344811e-01 -8.315344811e-01 4.24 -8.031169827e-01 -8.031169827e-01 4.26 -7.749914277e-01 -7.749914277e-01 4.28 -7.472079185e-01 -7.472079185e-01 4.30 -7.198273401e-01 -7.198273401e-01 4.32 -6.929185823e-01 -6.929185823e-01 4.34 -6.665549703e-01 -6.665549703e-01 4.36 -6.408102271e-01 -6.408102271e-01 4.38 -6.157543709e-01 -6.157543709e-01 4.40 -5.914499470e-01 -5.914499470e-01 4.42 -5.679489264e-01 -5.679489264e-01 4.44 -5.452904707e-01 -5.452904707e-01 4.46 -5.234996216e-01 -5.234996216e-01 4.48 -5.025868446e-01 -5.025868446e-01 4.50 -4.825482829e-01 -4.825482829e-01 4.52 -4.633665478e-01 -4.633665478e-01 4.54 -4.450118909e-01 -4.450118909e-01 4.56 -4.274436399e-01 -4.274436399e-01 4.58 -4.106118174e-01 -4.106118174e-01 4.60 -3.944588890e-01 -3.944588890e-01 4.62 -3.789215985e-01 -3.789215985e-01 4.64 -3.639328472e-01 -3.639328472e-01 4.66 -3.494235784e-01 -3.494235784e-01 4.68 -3.353246248e-01 -3.353246248e-01 4.70 -3.215684893e-01 -3.215684893e-01 4.72 -3.080910391e-01 -3.080910391e-01 4.74 -2.948331046e-01 -2.948331046e-01 4.76 -2.817419819e-01 -2.817419819e-01 4.78 -2.687728372e-01 -2.687728372e-01 4.80 -2.558899889e-01 -2.558899889e-01 4.82 -2.430681122e-01 -2.430681122e-01 4.84 -2.302931289e-01 -2.302931289e-01 4.86 -2.175629681e-01 -2.175629681e-01 4.88 -2.048879033e-01 -2.048879033e-01 4.90 -1.922904521e-01 -1.922904521e-01 4.92 -1.798047395e-01 -1.798047395e-01 4.94 -1.674752645e-01 -1.674752645e-01 4.96 -1.553550571e-01 -1.553550571e-01 4.98 -1.435032758e-01 -1.435032758e-01 5.00 -1.319823806e-01 -1.319823806e-01 5.02 -1.208550479e-01 -1.208550479e-01 5.04 -1.101810595e-01 -1.101810595e-01 5.06 -1.000144076e-01 -1.000144076e-01 5.08 -9.040082430e-02 -9.040082430e-02 5.10 -8.137565251e-02 -8.137565251e-02 5.12 -7.296342286e-02 -7.296342286e-02 5.14 -6.517721475e-02 -6.517721475e-02 5.16 -5.801877905e-02 -5.801877905e-02 5.18 -5.147944565e-02 -5.147944565e-02 5.20 -4.554145937e-02 -4.554145937e-02 5.22 -4.017958100e-02 -4.017958100e-02 5.24 -3.536279803e-02 -3.536279803e-02 5.26 -3.105601318e-02 -3.105601318e-02 5.28 -2.722161063e-02 -2.722161063e-02 5.30 -2.382082833e-02 -2.382082833e-02 5.32 -2.081491031e-02 -2.081491031e-02 5.34 -1.816602167e-02 -1.816602167e-02 5.36 -1.583793198e-02 -1.583793198e-02 5.38 -1.379611710e-02 -1.379611710e-02 5.40 -1.200891177e-02 -1.200891177e-02 5.42 -1.044743264e-02 -1.044743264e-02 5.44 -9.085258247e-03 -9.085258247e-03 5.46 -7.898452500e-03 -7.898452500e-03 5.48 -6.865503953e-03 -6.865503953e-03 5.50 -5.967208469e-03 -5.967208469e-03 5.52 -5.186516675e-03 -5.186516675e-03 5.54 -4.508362302e-03 -4.508362302e-03 5.56 -3.919483148e-03 -3.919483148e-03 5.58 -3.408242942e-03 -3.408242942e-03 5.60 -2.964459689e-03 -2.964459689e-03 5.62 -2.579244044e-03 -2.579244044e-03 5.64 -2.244849729e-03 -2.244849729e-03 5.66 -1.954536961e-03 -1.954536961e-03 5.68 -1.702449057e-03 -1.702449057e-03 5.70 -1.483501882e-03 -1.483501882e-03 5.72 -1.293285498e-03 -1.293285498e-03 5.74 -1.127977136e-03 -1.127977136e-03 5.76 -9.842645667e-04 -9.842645667e-04 5.78 -8.592788543e-04 -8.592788543e-04 5.80 -7.505355576e-04 -7.505355576e-04 5.82 -6.558834336e-04 -6.558834336e-04 5.84 -5.734597894e-04 -5.734597894e-04 5.86 -5.016516865e-04 -5.016516865e-04 5.88 -4.390622813e-04 -4.390622813e-04 5.90 -3.844816535e-04 -3.844816535e-04 5.92 -3.368615503e-04 -3.368615503e-04 5.94 -2.952935345e-04 -2.952935345e-04 5.96 -2.589900894e-04 -2.589900894e-04 5.98 -2.272682885e-04 -2.272682885e-04 6.00 -1.995356831e-04 -1.995356831e-04