# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgAu2Cu # 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 2023-05-12 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 2.964206235e+02 2.964206235e+02 0.92 2.750378618e+02 2.750378618e+02 0.94 2.554515133e+02 2.554515133e+02 0.96 2.374801401e+02 2.374801401e+02 0.98 2.209936976e+02 2.209936976e+02 1.00 2.058972864e+02 2.058972864e+02 1.02 1.920501637e+02 1.920501637e+02 1.04 1.792505605e+02 1.792505605e+02 1.06 1.673410241e+02 1.673410241e+02 1.08 1.562312224e+02 1.562312224e+02 1.10 1.459218573e+02 1.459218573e+02 1.12 1.363772664e+02 1.363772664e+02 1.14 1.275315221e+02 1.275315221e+02 1.16 1.193103260e+02 1.193103260e+02 1.18 1.116425334e+02 1.116425334e+02 1.20 1.044787832e+02 1.044787832e+02 1.22 9.776927933e+01 9.776927933e+01 1.24 9.148153313e+01 9.148153313e+01 1.26 8.557647394e+01 8.557647394e+01 1.28 8.002786238e+01 8.002786238e+01 1.30 7.482901683e+01 7.482901683e+01 1.32 6.995635957e+01 6.995635957e+01 1.34 6.538289500e+01 6.538289500e+01 1.36 6.110051947e+01 6.110051947e+01 1.38 5.709608462e+01 5.709608462e+01 1.40 5.334407023e+01 5.334407023e+01 1.42 4.982623495e+01 4.982623495e+01 1.44 4.653388476e+01 4.653388476e+01 1.46 4.345840390e+01 4.345840390e+01 1.48 4.058489714e+01 4.058489714e+01 1.50 3.789745471e+01 3.789745471e+01 1.52 3.538249981e+01 3.538249981e+01 1.54 3.303007576e+01 3.303007576e+01 1.56 3.082994376e+01 3.082994376e+01 1.58 2.876552277e+01 2.876552277e+01 1.60 2.682204863e+01 2.682204863e+01 1.62 2.498573123e+01 2.498573123e+01 1.64 2.325050803e+01 2.325050803e+01 1.66 2.162109004e+01 2.162109004e+01 1.68 2.010173691e+01 2.010173691e+01 1.70 1.868506839e+01 1.868506839e+01 1.72 1.735713114e+01 1.735713114e+01 1.74 1.610411494e+01 1.610411494e+01 1.76 1.491308353e+01 1.491308353e+01 1.78 1.377243024e+01 1.377243024e+01 1.80 1.268082062e+01 1.268082062e+01 1.82 1.164304123e+01 1.164304123e+01 1.84 1.066430345e+01 1.066430345e+01 1.86 9.743944829e+00 9.743944829e+00 1.88 8.878005678e+00 8.878005678e+00 1.90 8.062252918e+00 8.062252918e+00 1.92 7.291780901e+00 7.291780901e+00 1.94 6.561698376e+00 6.561698376e+00 1.96 5.868390193e+00 5.868390193e+00 1.98 5.209635488e+00 5.209635488e+00 2.00 4.584158765e+00 4.584158765e+00 2.02 3.992254208e+00 3.992254208e+00 2.04 3.434433107e+00 3.434433107e+00 2.06 2.910730616e+00 2.910730616e+00 2.08 2.419273649e+00 2.419273649e+00 2.10 1.957731823e+00 1.957731823e+00 2.12 1.523822638e+00 1.523822638e+00 2.14 1.115428573e+00 1.115428573e+00 2.16 7.306458401e-01 7.306458401e-01 2.18 3.676611772e-01 3.676611772e-01 2.20 2.535195545e-02 2.535195545e-02 2.22 -2.971184654e-01 -2.971184654e-01 2.24 -6.005322564e-01 -6.005322564e-01 2.26 -8.856693101e-01 -8.856693101e-01 2.28 -1.153416174e+00 -1.153416174e+00 2.30 -1.404448055e+00 -1.404448055e+00 2.32 -1.638347141e+00 -1.638347141e+00 2.34 -1.854360023e+00 -1.854360023e+00 2.36 -2.051864795e+00 -2.051864795e+00 2.38 -2.230902183e+00 -2.230902183e+00 2.40 -2.392535504e+00 -2.392535504e+00 2.42 -2.537773481e+00 -2.537773481e+00 2.44 -2.667785643e+00 -2.667785643e+00 2.46 -2.783740434e+00 -2.783740434e+00 2.48 -2.886803343e+00 -2.886803343e+00 2.50 -2.978136336e+00 -2.978136336e+00 2.52 -3.058795240e+00 -3.058795240e+00 2.54 -3.129579512e+00 -3.129579512e+00 2.56 -3.191250479e+00 -3.191250479e+00 2.58 -3.244443605e+00 -3.244443605e+00 2.60 -3.289563145e+00 -3.289563145e+00 2.62 -3.326985692e+00 -3.326985692e+00 2.64 -3.357084488e+00 -3.357084488e+00 2.66 -3.380228935e+00 -3.380228935e+00 2.68 -3.396888322e+00 -3.396888322e+00 2.70 -3.408004247e+00 -3.408004247e+00 2.72 -3.414644710e+00 -3.414644710e+00 2.74 -3.417704756e+00 -3.417704756e+00 2.76 -3.417829671e+00 -3.417829671e+00 2.78 -3.415589041e+00 -3.415589041e+00 2.80 -3.411525381e+00 -3.411525381e+00 2.82 -3.405518033e+00 -3.405518033e+00 2.84 -3.396446001e+00 -3.396446001e+00 2.86 -3.383088960e+00 -3.383088960e+00 2.88 -3.364221598e+00 -3.364221598e+00 2.90 -3.338755384e+00 -3.338755384e+00 2.92 -3.306734073e+00 -3.306734073e+00 2.94 -3.268790416e+00 -3.268790416e+00 2.96 -3.225558141e+00 -3.225558141e+00 2.98 -3.177661836e+00 -3.177661836e+00 3.00 -3.125715850e+00 -3.125715850e+00 3.02 -3.070323081e+00 -3.070323081e+00 3.04 -3.012073607e+00 -3.012073607e+00 3.06 -2.951543134e+00 -2.951543134e+00 3.08 -2.889234746e+00 -2.889234746e+00 3.10 -2.825425476e+00 -2.825425476e+00 3.12 -2.760332913e+00 -2.760332913e+00 3.14 -2.694178459e+00 -2.694178459e+00 3.16 -2.627183501e+00 -2.627183501e+00 3.18 -2.559567715e+00 -2.559567715e+00 3.20 -2.491548353e+00 -2.491548353e+00 3.22 -2.423339399e+00 -2.423339399e+00 3.24 -2.355150610e+00 -2.355150610e+00 3.26 -2.287186428e+00 -2.287186428e+00 3.28 -2.219644763e+00 -2.219644763e+00 3.30 -2.152715664e+00 -2.152715664e+00 3.32 -2.086563671e+00 -2.086563671e+00 3.34 -2.021294727e+00 -2.021294727e+00 3.36 -1.956993773e+00 -1.956993773e+00 3.38 -1.893732091e+00 -1.893732091e+00 3.40 -1.831565967e+00 -1.831565967e+00 3.42 -1.770535527e+00 -1.770535527e+00 3.44 -1.710663810e+00 -1.710663810e+00 3.46 -1.651956092e+00 -1.651956092e+00 3.48 -1.594397246e+00 -1.594397246e+00 3.50 -1.537906114e+00 -1.537906114e+00 3.52 -1.482337110e+00 -1.482337110e+00 3.54 -1.427526502e+00 -1.427526502e+00 3.56 -1.373394951e+00 -1.373394951e+00 3.58 -1.319990043e+00 -1.319990043e+00 3.60 -1.267371514e+00 -1.267371514e+00 3.62 -1.215611549e+00 -1.215611549e+00 3.64 -1.164783454e+00 -1.164783454e+00 3.66 -1.114960783e+00 -1.114960783e+00 3.68 -1.066218009e+00 -1.066218009e+00 3.70 -1.018630447e+00 -1.018630447e+00 3.72 -9.722741358e-01 -9.722741358e-01 3.74 -9.272256813e-01 -9.272256813e-01 3.76 -8.835622159e-01 -8.835622159e-01 3.78 -8.413614624e-01 -8.413614624e-01 3.80 -8.007030402e-01 -8.007030402e-01 3.82 -7.616734769e-01 -7.616734769e-01 3.84 -7.244150395e-01 -7.244150395e-01 3.86 -6.889001170e-01 -6.889001170e-01 3.88 -6.550381416e-01 -6.550381416e-01 3.90 -6.228615018e-01 -6.228615018e-01 3.92 -5.923892497e-01 -5.923892497e-01 3.94 -5.636248025e-01 -5.636248025e-01 3.96 -5.365478151e-01 -5.365478151e-01 3.98 -5.110231134e-01 -5.110231134e-01 4.00 -4.868251556e-01 -4.868251556e-01 4.02 -4.637165039e-01 -4.637165039e-01 4.04 -4.414476964e-01 -4.414476964e-01 4.06 -4.197546715e-01 -4.197546715e-01 4.08 -3.983403749e-01 -3.983403749e-01 4.10 -3.768171197e-01 -3.768171197e-01 4.12 -3.553837895e-01 -3.553837895e-01 4.14 -3.348377914e-01 -3.348377914e-01 4.16 -3.150669384e-01 -3.150669384e-01 4.18 -2.955729001e-01 -2.955729001e-01 4.20 -2.751779380e-01 -2.751779380e-01 4.22 -2.527156403e-01 -2.527156403e-01 4.24 -2.284784293e-01 -2.284784293e-01 4.26 -2.026722382e-01 -2.026722382e-01 4.28 -1.758742368e-01 -1.758742368e-01 4.30 -1.494577185e-01 -1.494577185e-01 4.32 -1.243337566e-01 -1.243337566e-01 4.34 -1.012499124e-01 -1.012499124e-01 4.36 -8.080580348e-02 -8.080580348e-02 4.38 -6.321999597e-02 -6.321999597e-02 4.40 -4.847820973e-02 -4.847820973e-02 4.42 -3.644890192e-02 -3.644890192e-02 4.44 -2.702915797e-02 -2.702915797e-02 4.46 -1.926226188e-02 -1.926226188e-02 4.48 -1.287709037e-02 -1.287709037e-02 4.50 -7.788700637e-03 -7.788700637e-03 4.52 -3.924667498e-03 -3.924667498e-03 4.54 -1.258124850e-03 -1.258124850e-03 4.56 -2.136055873e-08 -2.136055873e-08 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00