# 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 = AgAl2Zr # 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 1.865910207e+02 1.865910207e+02 1.30 1.736670295e+02 1.736670295e+02 1.32 1.616623961e+02 1.616623961e+02 1.34 1.505057339e+02 1.505057339e+02 1.36 1.401311790e+02 1.401311790e+02 1.38 1.304789977e+02 1.304789977e+02 1.40 1.214952038e+02 1.214952038e+02 1.42 1.131302242e+02 1.131302242e+02 1.44 1.053374585e+02 1.053374585e+02 1.46 9.807264200e+01 9.807264200e+01 1.48 9.129447145e+01 9.129447145e+01 1.50 8.496589884e+01 8.496589884e+01 1.52 7.905480091e+01 7.905480091e+01 1.54 7.353330323e+01 7.353330323e+01 1.56 6.837639204e+01 6.837639204e+01 1.58 6.356071230e+01 6.356071230e+01 1.60 5.906389616e+01 5.906389616e+01 1.62 5.486425778e+01 5.486425778e+01 1.64 5.094072976e+01 5.094072976e+01 1.66 4.727296357e+01 4.727296357e+01 1.68 4.384163062e+01 4.384163062e+01 1.70 4.062885936e+01 4.062885936e+01 1.72 3.761859856e+01 3.761859856e+01 1.74 3.479696917e+01 3.479696917e+01 1.76 3.215111995e+01 3.215111995e+01 1.78 2.966939097e+01 2.966939097e+01 1.80 2.734200637e+01 2.734200637e+01 1.82 2.515958404e+01 2.515958404e+01 1.84 2.311571045e+01 2.311571045e+01 1.86 2.120239305e+01 2.120239305e+01 1.88 1.941170100e+01 1.941170100e+01 1.90 1.773628304e+01 1.773628304e+01 1.92 1.616922300e+01 1.616922300e+01 1.94 1.470390158e+01 1.470390158e+01 1.96 1.333392433e+01 1.333392433e+01 1.98 1.205315154e+01 1.205315154e+01 2.00 1.085580493e+01 1.085580493e+01 2.02 9.736575309e+00 9.736575309e+00 2.04 8.690669169e+00 8.690669169e+00 2.06 7.713759405e+00 7.713759405e+00 2.08 6.801857596e+00 6.801857596e+00 2.10 5.951177215e+00 5.951177215e+00 2.12 5.158033645e+00 5.158033645e+00 2.14 4.418810729e+00 4.418810729e+00 2.16 3.729985474e+00 3.729985474e+00 2.18 3.088172703e+00 3.088172703e+00 2.20 2.490178363e+00 2.490178363e+00 2.22 1.933026470e+00 1.933026470e+00 2.24 1.413978105e+00 1.413978105e+00 2.26 9.305425469e-01 9.305425469e-01 2.28 4.804753942e-01 4.804753942e-01 2.30 6.178752807e-02 6.178752807e-02 2.32 -3.272844126e-01 -3.272844126e-01 2.34 -6.882967709e-01 -6.882967709e-01 2.36 -1.022645090e+00 -1.022645090e+00 2.38 -1.331605813e+00 -1.331605813e+00 2.40 -1.616378484e+00 -1.616378484e+00 2.42 -1.878127693e+00 -1.878127693e+00 2.44 -2.118010047e+00 -2.118010047e+00 2.46 -2.337199017e+00 -2.337199017e+00 2.48 -2.536893134e+00 -2.536893134e+00 2.50 -2.718320489e+00 -2.718320489e+00 2.52 -2.882783125e+00 -2.882783125e+00 2.54 -3.031490014e+00 -3.031490014e+00 2.56 -3.165635813e+00 -3.165635813e+00 2.58 -3.286430344e+00 -3.286430344e+00 2.60 -3.395085159e+00 -3.395085159e+00 2.62 -3.492786028e+00 -3.492786028e+00 2.64 -3.580658577e+00 -3.580658577e+00 2.66 -3.659707884e+00 -3.659707884e+00 2.68 -3.730688132e+00 -3.730688132e+00 2.70 -3.794150863e+00 -3.794150863e+00 2.72 -3.850546657e+00 -3.850546657e+00 2.74 -3.900239650e+00 -3.900239650e+00 2.76 -3.943527512e+00 -3.943527512e+00 2.78 -3.980660429e+00 -3.980660429e+00 2.80 -4.011865456e+00 -4.011865456e+00 2.82 -4.037346496e+00 -4.037346496e+00 2.84 -4.057300622e+00 -4.057300622e+00 2.86 -4.071920956e+00 -4.071920956e+00 2.88 -4.081400697e+00 -4.081400697e+00 2.90 -4.085936892e+00 -4.085936892e+00 2.92 -4.085734534e+00 -4.085734534e+00 2.94 -4.081011204e+00 -4.081011204e+00 2.96 -4.072653224e+00 -4.072653224e+00 2.98 -4.061530848e+00 -4.061530848e+00 3.00 -4.047523697e+00 -4.047523697e+00 3.02 -4.030585051e+00 -4.030585051e+00 3.04 -4.010738987e+00 -4.010738987e+00 3.06 -3.988078065e+00 -3.988078065e+00 3.08 -3.962738325e+00 -3.962738325e+00 3.10 -3.934905782e+00 -3.934905782e+00 3.12 -3.904834669e+00 -3.904834669e+00 3.14 -3.872678755e+00 -3.872678755e+00 3.16 -3.838584946e+00 -3.838584946e+00 3.18 -3.802692525e+00 -3.802692525e+00 3.20 -3.765123097e+00 -3.765123097e+00 3.22 -3.725982212e+00 -3.725982212e+00 3.24 -3.685363938e+00 -3.685363938e+00 3.26 -3.643356875e+00 -3.643356875e+00 3.28 -3.600049943e+00 -3.600049943e+00 3.30 -3.555536645e+00 -3.555536645e+00 3.32 -3.509918918e+00 -3.509918918e+00 3.34 -3.463305062e+00 -3.463305062e+00 3.36 -3.415804004e+00 -3.415804004e+00 3.38 -3.367521569e+00 -3.367521569e+00 3.40 -3.318556590e+00 -3.318556590e+00 3.42 -3.269003551e+00 -3.269003551e+00 3.44 -3.218946412e+00 -3.218946412e+00 3.46 -3.168464551e+00 -3.168464551e+00 3.48 -3.117633310e+00 -3.117633310e+00 3.50 -3.066525494e+00 -3.066525494e+00 3.52 -3.015212248e+00 -3.015212248e+00 3.54 -2.963763179e+00 -2.963763179e+00 3.56 -2.912245878e+00 -2.912245878e+00 3.58 -2.860725011e+00 -2.860725011e+00 3.60 -2.809261248e+00 -2.809261248e+00 3.62 -2.757910211e+00 -2.757910211e+00 3.64 -2.706721593e+00 -2.706721593e+00 3.66 -2.655738581e+00 -2.655738581e+00 3.68 -2.604997638e+00 -2.604997638e+00 3.70 -2.554528705e+00 -2.554528705e+00 3.72 -2.504355849e+00 -2.504355849e+00 3.74 -2.454498327e+00 -2.454498327e+00 3.76 -2.404972016e+00 -2.404972016e+00 3.78 -2.355791066e+00 -2.355791066e+00 3.80 -2.306969573e+00 -2.306969573e+00 3.82 -2.258522988e+00 -2.258522988e+00 3.84 -2.210468973e+00 -2.210468973e+00 3.86 -2.162827456e+00 -2.162827456e+00 3.88 -2.115619778e+00 -2.115619778e+00 3.90 -2.068867040e+00 -2.068867040e+00 3.92 -2.022586743e+00 -2.022586743e+00 3.94 -1.976795755e+00 -1.976795755e+00 3.96 -1.931500525e+00 -1.931500525e+00 3.98 -1.886701902e+00 -1.886701902e+00 4.00 -1.842393677e+00 -1.842393677e+00 4.02 -1.798563509e+00 -1.798563509e+00 4.04 -1.755194483e+00 -1.755194483e+00 4.06 -1.712267023e+00 -1.712267023e+00 4.08 -1.669760936e+00 -1.669760936e+00 4.10 -1.627653505e+00 -1.627653505e+00 4.12 -1.585937818e+00 -1.585937818e+00 4.14 -1.544598746e+00 -1.544598746e+00 4.16 -1.503632864e+00 -1.503632864e+00 4.18 -1.463045235e+00 -1.463045235e+00 4.20 -1.422850808e+00 -1.422850808e+00 4.22 -1.383075472e+00 -1.383075472e+00 4.24 -1.343756570e+00 -1.343756570e+00 4.26 -1.304942663e+00 -1.304942663e+00 4.28 -1.266692376e+00 -1.266692376e+00 4.30 -1.229072238e+00 -1.229072238e+00 4.32 -1.192153571e+00 -1.192153571e+00 4.34 -1.156008608e+00 -1.156008608e+00 4.36 -1.120706213e+00 -1.120706213e+00 4.38 -1.086307612e+00 -1.086307612e+00 4.40 -1.052862615e+00 -1.052862615e+00 4.42 -1.020406694e+00 -1.020406694e+00 4.44 -9.889591957e-01 -9.889591957e-01 4.46 -9.585227540e-01 -9.585227540e-01 4.48 -9.290838317e-01 -9.290838317e-01 4.50 -9.006141760e-01 -9.006141760e-01 4.52 -8.730729096e-01 -8.730729096e-01 4.54 -8.464089610e-01 -8.464089610e-01 4.56 -8.205635761e-01 -8.205635761e-01 4.58 -7.954727136e-01 -7.954727136e-01 4.60 -7.710692008e-01 -7.710692008e-01 4.62 -7.472845968e-01 -7.472845968e-01 4.64 -7.240507634e-01 -7.240507634e-01 4.66 -7.013011856e-01 -7.013011856e-01 4.68 -6.789721032e-01 -6.789721032e-01 4.70 -6.570035256e-01 -6.570035256e-01 4.72 -6.353401954e-01 -6.353401954e-01 4.74 -6.139325555e-01 -6.139325555e-01 4.76 -5.927377544e-01 -5.927377544e-01 4.78 -5.717206984e-01 -5.717206984e-01 4.80 -5.508520841e-01 -5.508520841e-01 4.82 -5.301221703e-01 -5.301221703e-01 4.84 -5.095218152e-01 -5.095218152e-01 4.86 -4.890571655e-01 -4.890571655e-01 4.88 -4.687464179e-01 -4.687464179e-01 4.90 -4.486197988e-01 -4.486197988e-01 4.92 -4.287189789e-01 -4.287189789e-01 4.94 -4.090958474e-01 -4.090958474e-01 4.96 -3.898106237e-01 -3.898106237e-01 4.98 -3.709293584e-01 -3.709293584e-01 5.00 -3.525209517e-01 -3.525209517e-01 5.02 -3.346538854e-01 -3.346538854e-01 5.04 -3.173929170e-01 -3.173929170e-01 5.06 -3.007959985e-01 -3.007959985e-01 5.08 -2.849116678e-01 -2.849116678e-01 5.10 -2.697771037e-01 -2.697771037e-01 5.12 -2.554169612e-01 -2.554169612e-01 5.14 -2.418430155e-01 -2.418430155e-01 5.16 -2.290545620e-01 -2.290545620e-01 5.18 -2.170394512e-01 -2.170394512e-01 5.20 -2.057756005e-01 -2.057756005e-01 5.22 -1.952328065e-01 -1.952328065e-01 5.24 -1.853746907e-01 -1.853746907e-01 5.26 -1.761606336e-01 -1.761606336e-01 5.28 -1.675475866e-01 -1.675475866e-01 5.30 -1.594916821e-01 -1.594916821e-01 5.32 -1.519496003e-01 -1.519496003e-01 5.34 -1.448796685e-01 -1.448796685e-01 5.36 -1.382426923e-01 -1.382426923e-01 5.38 -1.320023399e-01 -1.320023399e-01 5.40 -1.261259127e-01 -1.261259127e-01 5.42 -1.205843575e-01 -1.205843575e-01 5.44 -1.153520258e-01 -1.153520258e-01 5.46 -1.104064985e-01 -1.104064985e-01 5.48 -1.057282801e-01 -1.057282801e-01 5.50 -1.013004003e-01 -1.013004003e-01 5.52 -9.710796584e-02 -9.710796584e-02 5.54 -9.313769820e-02 -9.313769820e-02 5.56 -8.937749795e-02 -8.937749795e-02 5.58 -8.581606167e-02 -8.581606167e-02 5.60 -8.244257216e-02 -8.244257216e-02 5.62 -7.924645038e-02 -7.924645038e-02 5.64 -7.621705256e-02 -7.621705256e-02 5.66 -7.334408227e-02 -7.334408227e-02 5.68 -7.061731685e-02 -7.061731685e-02 5.70 -6.802656461e-02 -6.802656461e-02 5.72 -6.556174633e-02 -6.556174633e-02 5.74 -6.321298409e-02 -6.321298409e-02 5.76 -6.097068565e-02 -6.097068565e-02 5.78 -5.882561653e-02 -5.882561653e-02 5.80 -5.676895549e-02 -5.676895549e-02 5.82 -5.479233234e-02 -5.479233234e-02 5.84 -5.288784906e-02 -5.288784906e-02 5.86 -5.104808693e-02 -5.104808693e-02 5.88 -4.926610290e-02 -4.926610290e-02 5.90 -4.753541909e-02 -4.753541909e-02 5.92 -4.585000895e-02 -4.585000895e-02 5.94 -4.420428334e-02 -4.420428334e-02 5.96 -4.259307955e-02 -4.259307955e-02 5.98 -4.101165549e-02 -4.101165549e-02 6.00 -3.945569241e-02 -3.945569241e-02