# 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 = CoPbPd2 # 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 3.061666829e+02 3.061666829e+02 1.30 2.844004126e+02 2.844004126e+02 1.32 2.642009841e+02 2.642009841e+02 1.34 2.454440003e+02 2.454440003e+02 1.36 2.280155629e+02 2.280155629e+02 1.38 2.118118250e+02 2.118118250e+02 1.40 1.967388474e+02 1.967388474e+02 1.42 1.827117514e+02 1.827117514e+02 1.44 1.696533951e+02 1.696533951e+02 1.46 1.574931818e+02 1.574931818e+02 1.48 1.461659830e+02 1.461659830e+02 1.50 1.356110931e+02 1.356110931e+02 1.52 1.257715464e+02 1.257715464e+02 1.54 1.165939614e+02 1.165939614e+02 1.56 1.080287225e+02 1.080287225e+02 1.58 1.000301499e+02 1.000301499e+02 1.60 9.255650338e+01 9.255650338e+01 1.62 8.556981839e+01 8.556981839e+01 1.64 7.903565465e+01 7.903565465e+01 1.66 7.292278195e+01 7.292278195e+01 1.68 6.720807633e+01 6.720807633e+01 1.70 6.189978674e+01 6.189978674e+01 1.72 5.697541812e+01 5.697541812e+01 1.74 5.240686465e+01 5.240686465e+01 1.76 4.816773371e+01 4.816773371e+01 1.78 4.423349966e+01 4.423349966e+01 1.80 4.058166680e+01 4.058166680e+01 1.82 3.719178395e+01 3.719178395e+01 1.84 3.404529768e+01 3.404529768e+01 1.86 3.112527955e+01 3.112527955e+01 1.88 2.841614497e+01 2.841614497e+01 1.90 2.590342203e+01 2.590342203e+01 1.92 2.357361128e+01 2.357361128e+01 1.94 2.141409878e+01 2.141409878e+01 1.96 1.941309598e+01 1.941309598e+01 1.98 1.755957498e+01 1.755957498e+01 2.00 1.584320509e+01 1.584320509e+01 2.02 1.425430289e+01 1.425430289e+01 2.04 1.278379730e+01 1.278379730e+01 2.06 1.142320692e+01 1.142320692e+01 2.08 1.016462211e+01 1.016462211e+01 2.10 9.000692437e+00 9.000692437e+00 2.12 7.924610518e+00 7.924610518e+00 2.14 6.930094227e+00 6.930094227e+00 2.16 6.011362425e+00 6.011362425e+00 2.18 5.163105357e+00 5.163105357e+00 2.20 4.380448612e+00 4.380448612e+00 2.22 3.658915926e+00 3.658915926e+00 2.24 2.994389555e+00 2.994389555e+00 2.26 2.383070999e+00 2.383070999e+00 2.28 1.821439501e+00 1.821439501e+00 2.30 1.306216878e+00 1.306216878e+00 2.32 8.343264609e-01 8.343264609e-01 2.34 4.028630253e-01 4.028630253e-01 2.36 9.064589965e-03 9.064589965e-03 2.38 -3.497039973e-01 -3.497039973e-01 2.40 -6.759577081e-01 -6.759577081e-01 2.42 -9.720897863e-01 -9.720897863e-01 2.44 -1.240366879e+00 -1.240366879e+00 2.46 -1.482924888e+00 -1.482924888e+00 2.48 -1.701768012e+00 -1.701768012e+00 2.50 -1.898769707e+00 -1.898769707e+00 2.52 -2.075689213e+00 -2.075689213e+00 2.54 -2.234171554e+00 -2.234171554e+00 2.56 -2.375653137e+00 -2.375653137e+00 2.58 -2.501450557e+00 -2.501450557e+00 2.60 -2.612770186e+00 -2.612770186e+00 2.62 -2.710719708e+00 -2.710719708e+00 2.64 -2.796855904e+00 -2.796855904e+00 2.66 -2.872127902e+00 -2.872127902e+00 2.68 -2.937011617e+00 -2.937011617e+00 2.70 -2.991937329e+00 -2.991937329e+00 2.72 -3.037309641e+00 -3.037309641e+00 2.74 -3.073543648e+00 -3.073543648e+00 2.76 -3.101064485e+00 -3.101064485e+00 2.78 -3.120306361e+00 -3.120306361e+00 2.80 -3.131734268e+00 -3.131734268e+00 2.82 -3.135893321e+00 -3.135893321e+00 2.84 -3.133340088e+00 -3.133340088e+00 2.86 -3.124628103e+00 -3.124628103e+00 2.88 -3.110312162e+00 -3.110312162e+00 2.90 -3.090949126e+00 -3.090949126e+00 2.92 -3.067094082e+00 -3.067094082e+00 2.94 -3.039291776e+00 -3.039291776e+00 2.96 -3.008064809e+00 -3.008064809e+00 2.98 -2.973901334e+00 -2.973901334e+00 3.00 -2.937245185e+00 -2.937245185e+00 3.02 -2.898490351e+00 -2.898490351e+00 3.04 -2.857979441e+00 -2.857979441e+00 3.06 -2.816008849e+00 -2.816008849e+00 3.08 -2.772829327e+00 -2.772829327e+00 3.10 -2.728668410e+00 -2.728668410e+00 3.12 -2.683728206e+00 -2.683728206e+00 3.14 -2.638133717e+00 -2.638133717e+00 3.16 -2.591992350e+00 -2.591992350e+00 3.18 -2.545404259e+00 -2.545404259e+00 3.20 -2.498463676e+00 -2.498463676e+00 3.22 -2.451259870e+00 -2.451259870e+00 3.24 -2.403877101e+00 -2.403877101e+00 3.26 -2.356393923e+00 -2.356393923e+00 3.28 -2.308877920e+00 -2.308877920e+00 3.30 -2.261385125e+00 -2.261385125e+00 3.32 -2.213968620e+00 -2.213968620e+00 3.34 -2.166679621e+00 -2.166679621e+00 3.36 -2.119568152e+00 -2.119568152e+00 3.38 -2.072683515e+00 -2.072683515e+00 3.40 -2.026074272e+00 -2.026074272e+00 3.42 -1.979788673e+00 -1.979788673e+00 3.44 -1.933873070e+00 -1.933873070e+00 3.46 -1.888371956e+00 -1.888371956e+00 3.48 -1.843327016e+00 -1.843327016e+00 3.50 -1.798776425e+00 -1.798776425e+00 3.52 -1.754754291e+00 -1.754754291e+00 3.54 -1.711290282e+00 -1.711290282e+00 3.56 -1.668409455e+00 -1.668409455e+00 3.58 -1.626132307e+00 -1.626132307e+00 3.60 -1.584475022e+00 -1.584475022e+00 3.62 -1.543449890e+00 -1.543449890e+00 3.64 -1.503065855e+00 -1.503065855e+00 3.66 -1.463329128e+00 -1.463329128e+00 3.68 -1.424243782e+00 -1.424243782e+00 3.70 -1.385812259e+00 -1.385812259e+00 3.72 -1.348035712e+00 -1.348035712e+00 3.74 -1.310914151e+00 -1.310914151e+00 3.76 -1.274446391e+00 -1.274446391e+00 3.78 -1.238629874e+00 -1.238629874e+00 3.80 -1.203460435e+00 -1.203460435e+00 3.82 -1.168932136e+00 -1.168932136e+00 3.84 -1.135037242e+00 -1.135037242e+00 3.86 -1.101766402e+00 -1.101766402e+00 3.88 -1.069109037e+00 -1.069109037e+00 3.90 -1.037053919e+00 -1.037053919e+00 3.92 -1.005589550e+00 -1.005589550e+00 3.94 -9.747063534e-01 -9.747063534e-01 3.96 -9.443953293e-01 -9.443953293e-01 3.98 -9.146504213e-01 -9.146504213e-01 4.00 -8.854688692e-01 -8.854688692e-01 4.02 -8.568518396e-01 -8.568518396e-01 4.04 -8.288048418e-01 -8.288048418e-01 4.06 -8.013378454e-01 -8.013378454e-01 4.08 -7.744650167e-01 -7.744650167e-01 4.10 -7.482030543e-01 -7.482030543e-01 4.12 -7.225741583e-01 -7.225741583e-01 4.14 -6.975981570e-01 -6.975981570e-01 4.16 -6.732953604e-01 -6.732953604e-01 4.18 -6.496836987e-01 -6.496836987e-01 4.20 -6.267772361e-01 -6.267772361e-01 4.22 -6.045850220e-01 -6.045850220e-01 4.24 -5.831103627e-01 -5.831103627e-01 4.26 -5.623505109e-01 -5.623505109e-01 4.28 -5.422967004e-01 -5.422967004e-01 4.30 -5.229344197e-01 -5.229344197e-01 4.32 -5.042438221e-01 -5.042438221e-01 4.34 -4.862002072e-01 -4.862002072e-01 4.36 -4.687745537e-01 -4.687745537e-01 4.38 -4.519341154e-01 -4.519341154e-01 4.40 -4.356431051e-01 -4.356431051e-01 4.42 -4.198634797e-01 -4.198634797e-01 4.44 -4.045558167e-01 -4.045558167e-01 4.46 -3.896802543e-01 -3.896802543e-01 4.48 -3.751974526e-01 -3.751974526e-01 4.50 -3.610695411e-01 -3.610695411e-01 4.52 -3.472610215e-01 -3.472610215e-01 4.54 -3.337396132e-01 -3.337396132e-01 4.56 -3.204770341e-01 -3.204770341e-01 4.58 -3.074497151e-01 -3.074497151e-01 4.60 -2.946394377e-01 -2.946394377e-01 4.62 -2.820338767e-01 -2.820338767e-01 4.64 -2.696270135e-01 -2.696270135e-01 4.66 -2.574193716e-01 -2.574193716e-01 4.68 -2.454180218e-01 -2.454180218e-01 4.70 -2.336363018e-01 -2.336363018e-01 4.72 -2.220932142e-01 -2.220932142e-01 4.74 -2.108124894e-01 -2.108124894e-01 4.76 -1.998213391e-01 -1.998213391e-01 4.78 -1.891489680e-01 -1.891489680e-01 4.80 -1.788241748e-01 -1.788241748e-01 4.82 -1.688769372e-01 -1.688769372e-01 4.84 -1.593318775e-01 -1.593318775e-01 4.86 -1.502105132e-01 -1.502105132e-01 4.88 -1.415294167e-01 -1.415294167e-01 4.90 -1.332996609e-01 -1.332996609e-01 4.92 -1.255266372e-01 -1.255266372e-01 4.94 -1.182101847e-01 -1.182101847e-01 4.96 -1.113449583e-01 -1.113449583e-01 4.98 -1.049209570e-01 -1.049209570e-01 5.00 -9.892415587e-02 -9.892415587e-02 5.02 -9.333718326e-02 -9.333718326e-02 5.04 -8.813956872e-02 -8.813956872e-02 5.06 -8.330912746e-02 -8.330912746e-02 5.08 -7.882305878e-02 -7.882305878e-02 5.10 -7.465762290e-02 -7.465762290e-02 5.12 -7.078882147e-02 -7.078882147e-02 5.14 -6.719299062e-02 -6.719299062e-02 5.16 -6.384729329e-02 -6.384729329e-02 5.18 -6.073010554e-02 -6.073010554e-02 5.20 -5.782129569e-02 -5.782129569e-02 5.22 -5.510239806e-02 -5.510239806e-02 5.24 -5.255668915e-02 -5.255668915e-02 5.26 -5.016917817e-02 -5.016917817e-02 5.28 -4.792652744e-02 -4.792652744e-02 5.30 -4.581688654e-02 -4.581688654e-02 5.32 -4.382972687e-02 -4.382972687e-02 5.34 -4.195580058e-02 -4.195580058e-02 5.36 -4.018683489e-02 -4.018683489e-02 5.38 -3.851535134e-02 -3.851535134e-02 5.40 -3.693451080e-02 -3.693451080e-02 5.42 -3.543798444e-02 -3.543798444e-02 5.44 -3.401985128e-02 -3.401985128e-02 5.46 -3.267452234e-02 -3.267452234e-02 5.48 -3.139668871e-02 -3.139668871e-02 5.50 -3.018128930e-02 -3.018128930e-02 5.52 -2.902349385e-02 -2.902349385e-02 5.54 -2.791869634e-02 -2.791869634e-02 5.56 -2.686251489e-02 -2.686251489e-02 5.58 -2.585079475e-02 -2.585079475e-02 5.60 -2.487961208e-02 -2.487961208e-02 5.62 -2.394527683e-02 -2.394527683e-02 5.64 -2.304433534e-02 -2.304433534e-02 5.66 -2.217356971e-02 -2.217356971e-02 5.68 -2.132999643e-02 -2.132999643e-02 5.70 -2.051086422e-02 -2.051086422e-02 5.72 -1.971365175e-02 -1.971365175e-02 5.74 -1.893606570e-02 -1.893606570e-02 5.76 -1.817603989e-02 -1.817603989e-02 5.78 -1.743173579e-02 -1.743173579e-02 5.80 -1.670154468e-02 -1.670154468e-02 5.82 -1.598409147e-02 -1.598409147e-02 5.84 -1.527823991e-02 -1.527823991e-02 5.86 -1.458309875e-02 -1.458309875e-02 5.88 -1.389802813e-02 -1.389802813e-02 5.90 -1.322264509e-02 -1.322264509e-02 5.92 -1.255682723e-02 -1.255682723e-02 5.94 -1.190070601e-02 -1.190070601e-02 5.96 -1.125463549e-02 -1.125463549e-02 5.98 -1.061925993e-02 -1.061925993e-02 6.00 -9.995460867e-03 -9.995460867e-03