# 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 = AgAl2Mg # 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 1.678268889e+02 1.678268889e+02 1.30 1.558400868e+02 1.558400868e+02 1.32 1.447310556e+02 1.447310556e+02 1.34 1.344295893e+02 1.344295893e+02 1.36 1.248716141e+02 1.248716141e+02 1.38 1.159999358e+02 1.159999358e+02 1.40 1.077633088e+02 1.077633088e+02 1.42 1.001144171e+02 1.001144171e+02 1.44 9.300797145e+01 9.300797145e+01 1.46 8.639997623e+01 8.639997623e+01 1.48 8.024871828e+01 8.024871828e+01 1.50 7.451677795e+01 7.451677795e+01 1.52 6.917230538e+01 6.917230538e+01 1.54 6.418850964e+01 6.418850964e+01 1.56 5.954201251e+01 5.954201251e+01 1.58 5.521179857e+01 5.521179857e+01 1.60 5.117819705e+01 5.117819705e+01 1.62 4.742273070e+01 4.742273070e+01 1.64 4.392801339e+01 4.392801339e+01 1.66 4.067440020e+01 4.067440020e+01 1.68 3.764302438e+01 3.764302438e+01 1.70 3.481639094e+01 3.481639094e+01 1.72 3.217885384e+01 3.217885384e+01 1.74 2.971668949e+01 2.971668949e+01 1.76 2.741778153e+01 2.741778153e+01 1.78 2.527121088e+01 2.527121088e+01 1.80 2.326699386e+01 2.326699386e+01 1.82 2.139599215e+01 2.139599215e+01 1.84 1.964987481e+01 1.964987481e+01 1.86 1.802103589e+01 1.802103589e+01 1.88 1.650243723e+01 1.650243723e+01 1.90 1.508740983e+01 1.508740983e+01 1.92 1.376946026e+01 1.376946026e+01 1.94 1.254213756e+01 1.254213756e+01 1.96 1.139901002e+01 1.139901002e+01 1.98 1.033377031e+01 1.033377031e+01 2.00 9.340434240e+00 9.340434240e+00 2.02 8.413551899e+00 8.413551899e+00 2.04 7.548340451e+00 7.548340451e+00 2.06 6.740682999e+00 6.740682999e+00 2.08 5.987006609e+00 5.987006609e+00 2.10 5.284107263e+00 5.284107263e+00 2.12 4.628993332e+00 4.628993332e+00 2.14 4.018787767e+00 4.018787767e+00 2.16 3.450693307e+00 3.450693307e+00 2.18 2.922002928e+00 2.922002928e+00 2.20 2.430134895e+00 2.430134895e+00 2.22 1.972670035e+00 1.972670035e+00 2.24 1.547379688e+00 1.547379688e+00 2.26 1.152238144e+00 1.152238144e+00 2.28 7.854202631e-01 7.854202631e-01 2.30 4.452906324e-01 4.452906324e-01 2.32 1.303845913e-01 1.303845913e-01 2.34 -1.606120363e-01 -1.606120363e-01 2.36 -4.288874104e-01 -4.288874104e-01 2.38 -6.755296350e-01 -6.755296350e-01 2.40 -9.015550070e-01 -9.015550070e-01 2.42 -1.107937916e+00 -1.107937916e+00 2.44 -1.295639307e+00 -1.295639307e+00 2.46 -1.465632639e+00 -1.465632639e+00 2.48 -1.618923541e+00 -1.618923541e+00 2.50 -1.756562556e+00 -1.756562556e+00 2.52 -1.879651545e+00 -1.879651545e+00 2.54 -1.989345468e+00 -1.989345468e+00 2.56 -2.086849844e+00 -2.086849844e+00 2.58 -2.173410504e+00 -2.173410504e+00 2.60 -2.250289173e+00 -2.250289173e+00 2.62 -2.318767313e+00 -2.318767313e+00 2.64 -2.381136496e+00 -2.381136496e+00 2.66 -2.438435864e+00 -2.438435864e+00 2.68 -2.490968569e+00 -2.490968569e+00 2.70 -2.538939880e+00 -2.538939880e+00 2.72 -2.582452924e+00 -2.582452924e+00 2.74 -2.621528408e+00 -2.621528408e+00 2.76 -2.656135407e+00 -2.656135407e+00 2.78 -2.686222554e+00 -2.686222554e+00 2.80 -2.711809060e+00 -2.711809060e+00 2.82 -2.732870370e+00 -2.732870370e+00 2.84 -2.749363802e+00 -2.749363802e+00 2.86 -2.761283171e+00 -2.761283171e+00 2.88 -2.768654886e+00 -2.768654886e+00 2.90 -2.771535204e+00 -2.771535204e+00 2.92 -2.770009940e+00 -2.770009940e+00 2.94 -2.764197382e+00 -2.764197382e+00 2.96 -2.754254355e+00 -2.754254355e+00 2.98 -2.740384388e+00 -2.740384388e+00 3.00 -2.722847452e+00 -2.722847452e+00 3.02 -2.701965966e+00 -2.701965966e+00 3.04 -2.678119282e+00 -2.678119282e+00 3.06 -2.651733173e+00 -2.651733173e+00 3.08 -2.623258747e+00 -2.623258747e+00 3.10 -2.593146528e+00 -2.593146528e+00 3.12 -2.561817796e+00 -2.561817796e+00 3.14 -2.529641173e+00 -2.529641173e+00 3.16 -2.496915917e+00 -2.496915917e+00 3.18 -2.463867622e+00 -2.463867622e+00 3.20 -2.430652277e+00 -2.430652277e+00 3.22 -2.397367079e+00 -2.397367079e+00 3.24 -2.364064337e+00 -2.364064337e+00 3.26 -2.330765467e+00 -2.330765467e+00 3.28 -2.297473119e+00 -2.297473119e+00 3.30 -2.264181420e+00 -2.264181420e+00 3.32 -2.230891761e+00 -2.230891761e+00 3.34 -2.197591148e+00 -2.197591148e+00 3.36 -2.164266103e+00 -2.164266103e+00 3.38 -2.130908924e+00 -2.130908924e+00 3.40 -2.097518074e+00 -2.097518074e+00 3.42 -2.064098523e+00 -2.064098523e+00 3.44 -2.030661508e+00 -2.030661508e+00 3.46 -1.997224488e+00 -1.997224488e+00 3.48 -1.963810595e+00 -1.963810595e+00 3.50 -1.930447808e+00 -1.930447808e+00 3.52 -1.897167656e+00 -1.897167656e+00 3.54 -1.863998538e+00 -1.863998538e+00 3.56 -1.830961872e+00 -1.830961872e+00 3.58 -1.798080543e+00 -1.798080543e+00 3.60 -1.765378075e+00 -1.765378075e+00 3.62 -1.732877316e+00 -1.732877316e+00 3.64 -1.700599356e+00 -1.700599356e+00 3.66 -1.668562678e+00 -1.668562678e+00 3.68 -1.636782562e+00 -1.636782562e+00 3.70 -1.605270713e+00 -1.605270713e+00 3.72 -1.574035105e+00 -1.574035105e+00 3.74 -1.543080015e+00 -1.543080015e+00 3.76 -1.512406233e+00 -1.512406233e+00 3.78 -1.482011401e+00 -1.482011401e+00 3.80 -1.451890461e+00 -1.451890461e+00 3.82 -1.422036150e+00 -1.422036150e+00 3.84 -1.392439498e+00 -1.392439498e+00 3.86 -1.363090284e+00 -1.363090284e+00 3.88 -1.333977399e+00 -1.333977399e+00 3.90 -1.305089103e+00 -1.305089103e+00 3.92 -1.276413090e+00 -1.276413090e+00 3.94 -1.247936942e+00 -1.247936942e+00 3.96 -1.219647520e+00 -1.219647520e+00 3.98 -1.191531422e+00 -1.191531422e+00 4.00 -1.163574903e+00 -1.163574903e+00 4.02 -1.135764009e+00 -1.135764009e+00 4.04 -1.108084831e+00 -1.108084831e+00 4.06 -1.080523935e+00 -1.080523935e+00 4.08 -1.053068998e+00 -1.053068998e+00 4.10 -1.025709401e+00 -1.025709401e+00 4.12 -9.984386336e-01 -9.984386336e-01 4.14 -9.712537014e-01 -9.712537014e-01 4.16 -9.441581104e-01 -9.441581104e-01 4.18 -9.171631497e-01 -9.171631497e-01 4.20 -8.902894556e-01 -8.902894556e-01 4.22 -8.635682631e-01 -8.635682631e-01 4.24 -8.370421010e-01 -8.370421010e-01 4.26 -8.107646837e-01 -8.107646837e-01 4.28 -7.847998133e-01 -7.847998133e-01 4.30 -7.592192022e-01 -7.592192022e-01 4.32 -7.340992783e-01 -7.340992783e-01 4.34 -7.095171942e-01 -7.095171942e-01 4.36 -6.855464134e-01 -6.855464134e-01 4.38 -6.622523369e-01 -6.622523369e-01 4.40 -6.396884467e-01 -6.396884467e-01 4.42 -6.178933673e-01 -6.178933673e-01 4.44 -5.968891018e-01 -5.968891018e-01 4.46 -5.766805189e-01 -5.766805189e-01 4.48 -5.572559957e-01 -5.572559957e-01 4.50 -5.385889903e-01 -5.385889903e-01 4.52 -5.206402493e-01 -5.206402493e-01 4.54 -5.033603402e-01 -5.033603402e-01 4.56 -4.866922455e-01 -4.866922455e-01 4.58 -4.705738135e-01 -4.705738135e-01 4.60 -4.549399447e-01 -4.549399447e-01 4.62 -4.397244600e-01 -4.397244600e-01 4.64 -4.248616550e-01 -4.248616550e-01 4.66 -4.102875867e-01 -4.102875867e-01 4.68 -3.959411580e-01 -3.959411580e-01 4.70 -3.817650758e-01 -3.817650758e-01 4.72 -3.677067545e-01 -3.677067545e-01 4.74 -3.537192238e-01 -3.537192238e-01 4.76 -3.397620800e-01 -3.397620800e-01 4.78 -3.258024979e-01 -3.258024979e-01 4.80 -3.118161058e-01 -3.118161058e-01 4.82 -2.977888179e-01 -2.977888179e-01 4.84 -2.837166232e-01 -2.837166232e-01 4.86 -2.696072521e-01 -2.696072521e-01 4.88 -2.554804842e-01 -2.554804842e-01 4.90 -2.413682546e-01 -2.413682546e-01 4.92 -2.273142157e-01 -2.273142157e-01 4.94 -2.133726654e-01 -2.133726654e-01 4.96 -1.996068025e-01 -1.996068025e-01 4.98 -1.860863441e-01 -1.860863441e-01 5.00 -1.728846143e-01 -1.728846143e-01 5.02 -1.600752913e-01 -1.600752913e-01 5.04 -1.477290545e-01 -1.477290545e-01 5.06 -1.359104014e-01 -1.359104014e-01 5.08 -1.246748888e-01 -1.246748888e-01 5.10 -1.140670058e-01 -1.140670058e-01 5.12 -1.041188168e-01 -1.041188168e-01 5.14 -9.484941906e-02 -9.484941906e-02 5.16 -8.626517458e-02 -8.626517458e-02 5.18 -7.836060493e-02 -7.836060493e-02 5.20 -7.111978651e-02 -7.111978651e-02 5.22 -6.451807949e-02 -6.451807949e-02 5.24 -5.852400716e-02 -5.852400716e-02 5.26 -5.310113773e-02 -5.310113773e-02 5.28 -4.820985591e-02 -4.820985591e-02 5.30 -4.380891161e-02 -4.380891161e-02 5.32 -3.985676161e-02 -3.985676161e-02 5.34 -3.631264024e-02 -3.631264024e-02 5.36 -3.313736463e-02 -3.313736463e-02 5.38 -3.029315856e-02 -3.029315856e-02 5.40 -2.774569771e-02 -2.774569771e-02 5.42 -2.546364013e-02 -2.546364013e-02 5.44 -2.341834225e-02 -2.341834225e-02 5.46 -2.158395675e-02 -2.158395675e-02 5.48 -1.993714428e-02 -1.993714428e-02 5.50 -1.845697358e-02 -1.845697358e-02 5.52 -1.712476779e-02 -1.712476779e-02 5.54 -1.592391818e-02 -1.592391818e-02 5.56 -1.483968506e-02 -1.483968506e-02 5.58 -1.385899986e-02 -1.385899986e-02 5.60 -1.297027736e-02 -1.297027736e-02 5.62 -1.216324370e-02 -1.216324370e-02 5.64 -1.142878230e-02 -1.142878230e-02 5.66 -1.075879826e-02 -1.075879826e-02 5.68 -1.014609988e-02 -1.014609988e-02 5.70 -9.584295545e-03 -9.584295545e-03 5.72 -9.067703867e-03 -9.067703867e-03 5.74 -8.591274874e-03 -8.591274874e-03 5.76 -8.150520493e-03 -8.150520493e-03 5.78 -7.741452780e-03 -7.741452780e-03 5.80 -7.360528743e-03 -7.360528743e-03 5.82 -7.004600904e-03 -7.004600904e-03 5.84 -6.670872969e-03 -6.670872969e-03 5.86 -6.356860151e-03 -6.356860151e-03 5.88 -6.060353835e-03 -6.060353835e-03 5.90 -5.779390301e-03 -5.779390301e-03 5.92 -5.512223313e-03 -5.512223313e-03 5.94 -5.257300351e-03 -5.257300351e-03 5.96 -5.013242317e-03 -5.013242317e-03 5.98 -4.778826505e-03 -4.778826505e-03 6.00 -4.552972627e-03 -4.552972627e-03