# 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 = AgCuPt2 # 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 2.783396381e+02 2.783396381e+02 1.30 2.587636886e+02 2.587636886e+02 1.32 2.405088805e+02 2.405088805e+02 1.34 2.234871168e+02 2.234871168e+02 1.36 2.076143225e+02 2.076143225e+02 1.38 1.928074799e+02 1.928074799e+02 1.40 1.789862702e+02 1.789862702e+02 1.42 1.660764024e+02 1.660764024e+02 1.44 1.540101000e+02 1.540101000e+02 1.46 1.427255108e+02 1.427255108e+02 1.48 1.321678872e+02 1.321678872e+02 1.50 1.222899366e+02 1.222899366e+02 1.52 1.130485918e+02 1.130485918e+02 1.54 1.044005797e+02 1.044005797e+02 1.56 9.630058793e+01 9.630058793e+01 1.58 8.870249517e+01 8.870249517e+01 1.60 8.156165938e+01 8.156165938e+01 1.62 7.483680818e+01 7.483680818e+01 1.64 6.849143250e+01 6.849143250e+01 1.66 6.249494367e+01 6.249494367e+01 1.68 5.682340999e+01 5.682340999e+01 1.70 5.148882998e+01 5.148882998e+01 1.72 4.657453390e+01 4.657453390e+01 1.74 4.206335212e+01 4.206335212e+01 1.76 3.792875495e+01 3.792875495e+01 1.78 3.414289879e+01 3.414289879e+01 1.80 3.067719112e+01 3.067719112e+01 1.82 2.750390228e+01 2.750390228e+01 1.84 2.459774307e+01 2.459774307e+01 1.86 2.193664940e+01 2.193664940e+01 1.88 1.950153236e+01 1.950153236e+01 1.90 1.727525066e+01 1.727525066e+01 1.92 1.524144504e+01 1.524144504e+01 1.94 1.338391072e+01 1.338391072e+01 1.96 1.168676163e+01 1.168676163e+01 1.98 1.013507454e+01 1.013507454e+01 2.00 8.715473154e+00 8.715473154e+00 2.02 7.416325818e+00 7.416325818e+00 2.04 6.227578438e+00 6.227578438e+00 2.06 5.140423575e+00 5.140423575e+00 2.08 4.146978365e+00 4.146978365e+00 2.10 3.240042000e+00 3.240042000e+00 2.12 2.412936829e+00 2.412936829e+00 2.14 1.659420674e+00 1.659420674e+00 2.16 9.736587077e-01 9.736587077e-01 2.18 3.502375768e-01 3.502375768e-01 2.20 -2.158038883e-01 -2.158038883e-01 2.22 -7.289523109e-01 -7.289523109e-01 2.24 -1.193220639e+00 -1.193220639e+00 2.26 -1.612175949e+00 -1.612175949e+00 2.28 -1.988990922e+00 -1.988990922e+00 2.30 -2.326511720e+00 -2.326511720e+00 2.32 -2.627332049e+00 -2.627332049e+00 2.34 -2.893862135e+00 -2.893862135e+00 2.36 -3.128384992e+00 -3.128384992e+00 2.38 -3.333098834e+00 -3.333098834e+00 2.40 -3.510149597e+00 -3.510149597e+00 2.42 -3.661660059e+00 -3.661660059e+00 2.44 -3.791623703e+00 -3.791623703e+00 2.46 -3.903114950e+00 -3.903114950e+00 2.48 -3.997414813e+00 -3.997414813e+00 2.50 -4.075940687e+00 -4.075940687e+00 2.52 -4.140206584e+00 -4.140206584e+00 2.54 -4.191764984e+00 -4.191764984e+00 2.56 -4.232131221e+00 -4.232131221e+00 2.58 -4.262701732e+00 -4.262701732e+00 2.60 -4.284685589e+00 -4.284685589e+00 2.62 -4.299067101e+00 -4.299067101e+00 2.64 -4.306605702e+00 -4.306605702e+00 2.66 -4.307865753e+00 -4.307865753e+00 2.68 -4.303261300e+00 -4.303261300e+00 2.70 -4.293101119e+00 -4.293101119e+00 2.72 -4.277624818e+00 -4.277624818e+00 2.74 -4.257028121e+00 -4.257028121e+00 2.76 -4.231625998e+00 -4.231625998e+00 2.78 -4.201537052e+00 -4.201537052e+00 2.80 -4.166735305e+00 -4.166735305e+00 2.82 -4.127224981e+00 -4.127224981e+00 2.84 -4.083046935e+00 -4.083046935e+00 2.86 -4.034291923e+00 -4.034291923e+00 2.88 -3.981119127e+00 -3.981119127e+00 2.90 -3.923776678e+00 -3.923776678e+00 2.92 -3.862619175e+00 -3.862619175e+00 2.94 -3.798116251e+00 -3.798116251e+00 2.96 -3.730853718e+00 -3.730853718e+00 2.98 -3.661521841e+00 -3.661521841e+00 3.00 -3.590895512e+00 -3.590895512e+00 3.02 -3.519624110e+00 -3.519624110e+00 3.04 -3.448281584e+00 -3.448281584e+00 3.06 -3.377341730e+00 -3.377341730e+00 3.08 -3.307154650e+00 -3.307154650e+00 3.10 -3.237943073e+00 -3.237943073e+00 3.12 -3.169814594e+00 -3.169814594e+00 3.14 -3.102783480e+00 -3.102783480e+00 3.16 -3.036795653e+00 -3.036795653e+00 3.18 -2.971752606e+00 -2.971752606e+00 3.20 -2.907533892e+00 -2.907533892e+00 3.22 -2.844011111e+00 -2.844011111e+00 3.24 -2.781059992e+00 -2.781059992e+00 3.26 -2.718632081e+00 -2.718632081e+00 3.28 -2.656740575e+00 -2.656740575e+00 3.30 -2.595392263e+00 -2.595392263e+00 3.32 -2.534592876e+00 -2.534592876e+00 3.34 -2.474352959e+00 -2.474352959e+00 3.36 -2.414691433e+00 -2.414691433e+00 3.38 -2.355637179e+00 -2.355637179e+00 3.40 -2.297228948e+00 -2.297228948e+00 3.42 -2.239513971e+00 -2.239513971e+00 3.44 -2.182545604e+00 -2.182545604e+00 3.46 -2.126380471e+00 -2.126380471e+00 3.48 -2.071075425e+00 -2.071075425e+00 3.50 -2.016684660e+00 -2.016684660e+00 3.52 -1.963257196e+00 -1.963257196e+00 3.54 -1.910834867e+00 -1.910834867e+00 3.56 -1.859450867e+00 -1.859450867e+00 3.58 -1.809128875e+00 -1.809128875e+00 3.60 -1.759882693e+00 -1.759882693e+00 3.62 -1.711716381e+00 -1.711716381e+00 3.64 -1.664624812e+00 -1.664624812e+00 3.66 -1.618594609e+00 -1.618594609e+00 3.68 -1.573605408e+00 -1.573605408e+00 3.70 -1.529631395e+00 -1.529631395e+00 3.72 -1.486643032e+00 -1.486643032e+00 3.74 -1.444608881e+00 -1.444608881e+00 3.76 -1.403497386e+00 -1.403497386e+00 3.78 -1.363278457e+00 -1.363278457e+00 3.80 -1.323924698e+00 -1.323924698e+00 3.82 -1.285412136e+00 -1.285412136e+00 3.84 -1.247720381e+00 -1.247720381e+00 3.86 -1.210832242e+00 -1.210832242e+00 3.88 -1.174732898e+00 -1.174732898e+00 3.90 -1.139408852e+00 -1.139408852e+00 3.92 -1.104846903e+00 -1.104846903e+00 3.94 -1.071033390e+00 -1.071033390e+00 3.96 -1.037953848e+00 -1.037953848e+00 3.98 -1.005593208e+00 -1.005593208e+00 4.00 -9.739364754e-01 -9.739364754e-01 4.02 -9.429697972e-01 -9.429697972e-01 4.04 -9.126817364e-01 -9.126817364e-01 4.06 -8.830645558e-01 -8.830645558e-01 4.08 -8.541152940e-01 -8.541152940e-01 4.10 -8.258364329e-01 -8.258364329e-01 4.12 -7.982360326e-01 -7.982360326e-01 4.14 -7.713271406e-01 -7.713271406e-01 4.16 -7.451265892e-01 -7.451265892e-01 4.18 -7.196531667e-01 -7.196531667e-01 4.20 -6.949253902e-01 -6.949253902e-01 4.22 -6.709591400e-01 -6.709591400e-01 4.24 -6.477654549e-01 -6.477654549e-01 4.26 -6.253487605e-01 -6.253487605e-01 4.28 -6.037057226e-01 -6.037057226e-01 4.30 -5.828247930e-01 -5.828247930e-01 4.32 -5.626863987e-01 -5.626863987e-01 4.34 -5.432636241e-01 -5.432636241e-01 4.36 -5.245231928e-01 -5.245231928e-01 4.38 -5.064265547e-01 -5.064265547e-01 4.40 -4.889309310e-01 -4.889309310e-01 4.42 -4.719902249e-01 -4.719902249e-01 4.44 -4.555557738e-01 -4.555557738e-01 4.46 -4.395769649e-01 -4.395769649e-01 4.48 -4.240017691e-01 -4.240017691e-01 4.50 -4.087772590e-01 -4.087772590e-01 4.52 -3.938501758e-01 -3.938501758e-01 4.54 -3.791675993e-01 -3.791675993e-01 4.56 -3.646777587e-01 -3.646777587e-01 4.58 -3.503310076e-01 -3.503310076e-01 4.60 -3.360809694e-01 -3.360809694e-01 4.62 -3.218858462e-01 -3.218858462e-01 4.64 -3.077098666e-01 -3.077098666e-01 4.66 -2.935248292e-01 -2.935248292e-01 4.68 -2.793116758e-01 -2.793116758e-01 4.70 -2.650620014e-01 -2.650620014e-01 4.72 -2.507793790e-01 -2.507793790e-01 4.74 -2.364803558e-01 -2.364803558e-01 4.76 -2.221949616e-01 -2.221949616e-01 4.78 -2.079665759e-01 -2.079665759e-01 4.80 -1.938510303e-01 -1.938510303e-01 4.82 -1.799148870e-01 -1.799148870e-01 4.84 -1.662328903e-01 -1.662328903e-01 4.86 -1.528847353e-01 -1.528847353e-01 4.88 -1.399513439e-01 -1.399513439e-01 4.90 -1.275109478e-01 -1.275109478e-01 4.92 -1.156353106e-01 -1.156353106e-01 4.94 -1.043864093e-01 -1.043864093e-01 4.96 -9.381385872e-02 -9.381385872e-02 4.98 -8.395324681e-02 -8.395324681e-02 5.00 -7.482543724e-02 -7.482543724e-02 5.02 -6.643681086e-02 -6.643681086e-02 5.04 -5.878030281e-02 -5.878030281e-02 5.06 -5.183704014e-02 -5.183704014e-02 5.08 -4.557846921e-02 -4.557846921e-02 5.10 -3.996919363e-02 -3.996919363e-02 5.12 -3.496720346e-02 -3.496720346e-02 5.14 -3.052693681e-02 -3.052693681e-02 5.16 -2.660137568e-02 -2.660137568e-02 5.18 -2.314350295e-02 -2.314350295e-02 5.20 -2.010745034e-02 -2.010745034e-02 5.22 -1.744936082e-02 -1.744936082e-02 5.24 -1.512798701e-02 -1.512798701e-02 5.26 -1.310495386e-02 -1.310495386e-02 5.28 -1.134481559e-02 -1.134481559e-02 5.30 -9.816034192e-03 -9.816034192e-03 5.32 -8.490140293e-03 -8.490140293e-03 5.34 -7.341580006e-03 -7.341580006e-03 5.36 -6.347589447e-03 -6.347589447e-03 5.38 -5.488016145e-03 -5.488016145e-03 5.40 -4.745111289e-03 -4.745111289e-03 5.42 -4.103309906e-03 -4.103309906e-03 5.44 -3.549010763e-03 -3.549010763e-03 5.46 -3.070363851e-03 -3.070363851e-03 5.48 -2.657070337e-03 -2.657070337e-03 5.50 -2.300197767e-03 -2.300197767e-03 5.52 -1.992011784e-03 -1.992011784e-03 5.54 -1.725824601e-03 -1.725824601e-03 5.56 -1.495859766e-03 -1.495859766e-03 5.58 -1.297132350e-03 -1.297132350e-03 5.60 -1.125343401e-03 -1.125343401e-03 5.62 -9.767874387e-04 -9.767874387e-04 5.64 -8.482716725e-04 -8.482716725e-04 5.66 -7.370457104e-04 -7.370457104e-04 5.68 -6.407405487e-04 -6.407405487e-04 5.70 -5.573157406e-04 -5.573157406e-04 5.72 -4.850137292e-04 -4.850137292e-04 5.74 -4.223204327e-04 -4.223204327e-04 5.76 -3.679312663e-04 -3.679312663e-04 5.78 -3.207218799e-04 -3.207218799e-04 5.80 -2.797229755e-04 -2.797229755e-04 5.82 -2.440986478e-04 -2.440986478e-04 5.84 -2.131277631e-04 -2.131277631e-04 5.86 -1.861879551e-04 -1.861879551e-04 5.88 -1.627418710e-04 -1.627418710e-04 5.90 -1.423253540e-04 -1.423253540e-04 5.92 -1.245372881e-04 -1.245372881e-04 5.94 -1.090308708e-04 -1.090308708e-04 5.96 -9.550611173e-05 -9.550611173e-05 5.98 -8.370338478e-05 -8.370338478e-05 6.00 -7.339788219e-05 -7.339788219e-05