# 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 = AlPtTi2 # 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 2.594779143e+02 2.594779143e+02 1.30 2.417722175e+02 2.417722175e+02 1.32 2.252794075e+02 2.252794075e+02 1.34 2.099178416e+02 2.099178416e+02 1.36 1.956097501e+02 1.956097501e+02 1.38 1.822761470e+02 1.822761470e+02 1.40 1.698388080e+02 1.698388080e+02 1.42 1.582251877e+02 1.582251877e+02 1.44 1.473715169e+02 1.473715169e+02 1.46 1.372227375e+02 1.372227375e+02 1.48 1.277305825e+02 1.277305825e+02 1.50 1.188514541e+02 1.188514541e+02 1.52 1.105448259e+02 1.105448259e+02 1.54 1.027721482e+02 1.027721482e+02 1.56 9.549614979e+01 9.549614979e+01 1.58 8.868048313e+01 8.868048313e+01 1.60 8.228977084e+01 8.228977084e+01 1.62 7.629012520e+01 7.629012520e+01 1.64 7.065004268e+01 7.065004268e+01 1.66 6.534143405e+01 6.534143405e+01 1.68 6.034053683e+01 6.034053683e+01 1.70 5.562833011e+01 5.562833011e+01 1.72 5.118992749e+01 5.118992749e+01 1.74 4.701277145e+01 4.701277145e+01 1.76 4.308438170e+01 4.308438170e+01 1.78 3.939101730e+01 3.939101730e+01 1.80 3.591768796e+01 3.591768796e+01 1.82 3.266618642e+01 3.266618642e+01 1.84 2.965759178e+01 2.965759178e+01 1.86 2.687444187e+01 2.687444187e+01 1.88 2.429904161e+01 2.429904161e+01 1.90 2.191599752e+01 2.191599752e+01 1.92 1.971196044e+01 1.971196044e+01 1.94 1.767502684e+01 1.767502684e+01 1.96 1.579409366e+01 1.579409366e+01 1.98 1.405835943e+01 1.405835943e+01 2.00 1.245714976e+01 1.245714976e+01 2.02 1.098006066e+01 1.098006066e+01 2.04 9.617240081e+00 9.617240081e+00 2.06 8.359617101e+00 8.359617101e+00 2.08 7.198995234e+00 7.198995234e+00 2.10 6.128021867e+00 6.128021867e+00 2.12 5.140078843e+00 5.140078843e+00 2.14 4.229144962e+00 4.229144962e+00 2.16 3.389674666e+00 3.389674666e+00 2.18 2.616519661e+00 2.616519661e+00 2.20 1.904893351e+00 1.904893351e+00 2.22 1.250359202e+00 1.250359202e+00 2.24 6.488262028e-01 6.488262028e-01 2.26 9.654331196e-02 9.654331196e-02 2.28 -4.099102511e-01 -4.099102511e-01 2.30 -8.736423927e-01 -8.736423927e-01 2.32 -1.297478535e+00 -1.297478535e+00 2.34 -1.684001421e+00 -1.684001421e+00 2.36 -2.035592452e+00 -2.035592452e+00 2.38 -2.354467611e+00 -2.354467611e+00 2.40 -2.642707897e+00 -2.642707897e+00 2.42 -2.902288096e+00 -2.902288096e+00 2.44 -3.135106011e+00 -3.135106011e+00 2.46 -3.343012065e+00 -3.343012065e+00 2.48 -3.527835550e+00 -3.527835550e+00 2.50 -3.691402226e+00 -3.691402226e+00 2.52 -3.835536764e+00 -3.835536764e+00 2.54 -3.962045454e+00 -3.962045454e+00 2.56 -4.072680310e+00 -4.072680310e+00 2.58 -4.169092681e+00 -4.169092681e+00 2.60 -4.252824269e+00 -4.252824269e+00 2.62 -4.326142715e+00 -4.326142715e+00 2.64 -4.390339135e+00 -4.390339135e+00 2.66 -4.446052997e+00 -4.446052997e+00 2.68 -4.493799145e+00 -4.493799145e+00 2.70 -4.534060254e+00 -4.534060254e+00 2.72 -4.567160148e+00 -4.567160148e+00 2.74 -4.593278237e+00 -4.593278237e+00 2.76 -4.612584651e+00 -4.612584651e+00 2.78 -4.625250279e+00 -4.625250279e+00 2.80 -4.631453741e+00 -4.631453741e+00 2.82 -4.631385823e+00 -4.631385823e+00 2.84 -4.625254094e+00 -4.625254094e+00 2.86 -4.613288189e+00 -4.613288189e+00 2.88 -4.595716039e+00 -4.595716039e+00 2.90 -4.572698193e+00 -4.572698193e+00 2.92 -4.544449379e+00 -4.544449379e+00 2.94 -4.511772416e+00 -4.511772416e+00 2.96 -4.475198229e+00 -4.475198229e+00 2.98 -4.434928388e+00 -4.434928388e+00 3.00 -4.391253268e+00 -4.391253268e+00 3.02 -4.344527739e+00 -4.344527739e+00 3.04 -4.295142357e+00 -4.295142357e+00 3.06 -4.243493141e+00 -4.243493141e+00 3.08 -4.189952708e+00 -4.189952708e+00 3.10 -4.134851423e+00 -4.134851423e+00 3.12 -4.078472689e+00 -4.078472689e+00 3.14 -4.021037150e+00 -4.021037150e+00 3.16 -3.962702770e+00 -3.962702770e+00 3.18 -3.903576492e+00 -3.903576492e+00 3.20 -3.843727662e+00 -3.843727662e+00 3.22 -3.783201083e+00 -3.783201083e+00 3.24 -3.722027935e+00 -3.722027935e+00 3.26 -3.660233929e+00 -3.660233929e+00 3.28 -3.597844816e+00 -3.597844816e+00 3.30 -3.534889750e+00 -3.534889750e+00 3.32 -3.471403119e+00 -3.471403119e+00 3.34 -3.407425414e+00 -3.407425414e+00 3.36 -3.343003609e+00 -3.343003609e+00 3.38 -3.278191373e+00 -3.278191373e+00 3.40 -3.213049324e+00 -3.213049324e+00 3.42 -3.147645611e+00 -3.147645611e+00 3.44 -3.082056440e+00 -3.082056440e+00 3.46 -3.016366972e+00 -3.016366972e+00 3.48 -2.950672109e+00 -2.950672109e+00 3.50 -2.885093847e+00 -2.885093847e+00 3.52 -2.819790732e+00 -2.819790732e+00 3.54 -2.754922110e+00 -2.754922110e+00 3.56 -2.690641372e+00 -2.690641372e+00 3.58 -2.627091567e+00 -2.627091567e+00 3.60 -2.564400291e+00 -2.564400291e+00 3.62 -2.502674892e+00 -2.502674892e+00 3.64 -2.441999037e+00 -2.441999037e+00 3.66 -2.382431309e+00 -2.382431309e+00 3.68 -2.324005983e+00 -2.324005983e+00 3.70 -2.266735589e+00 -2.266735589e+00 3.72 -2.210614614e+00 -2.210614614e+00 3.74 -2.155623626e+00 -2.155623626e+00 3.76 -2.101733247e+00 -2.101733247e+00 3.78 -2.048907617e+00 -2.048907617e+00 3.80 -1.997107211e+00 -1.997107211e+00 3.82 -1.946290974e+00 -1.946290974e+00 3.84 -1.896417871e+00 -1.896417871e+00 3.86 -1.847447945e+00 -1.847447945e+00 3.88 -1.799343001e+00 -1.799343001e+00 3.90 -1.752067024e+00 -1.752067024e+00 3.92 -1.705586384e+00 -1.705586384e+00 3.94 -1.659870200e+00 -1.659870200e+00 3.96 -1.614890205e+00 -1.614890205e+00 3.98 -1.570621204e+00 -1.570621204e+00 4.00 -1.527041385e+00 -1.527041385e+00 4.02 -1.484132848e+00 -1.484132848e+00 4.04 -1.441882311e+00 -1.441882311e+00 4.06 -1.400281959e+00 -1.400281959e+00 4.08 -1.359330368e+00 -1.359330368e+00 4.10 -1.319033276e+00 -1.319033276e+00 4.12 -1.279404754e+00 -1.279404754e+00 4.14 -1.240466736e+00 -1.240466736e+00 4.16 -1.202249306e+00 -1.202249306e+00 4.18 -1.164789592e+00 -1.164789592e+00 4.20 -1.128130049e+00 -1.128130049e+00 4.22 -1.092316046e+00 -1.092316046e+00 4.24 -1.057392917e+00 -1.057392917e+00 4.26 -1.023402751e+00 -1.023402751e+00 4.28 -9.903812513e-01 -9.903812513e-01 4.30 -9.583549740e-01 -9.583549740e-01 4.32 -9.273392219e-01 -9.273392219e-01 4.34 -8.973367492e-01 -8.973367492e-01 4.36 -8.683373348e-01 -8.683373348e-01 4.38 -8.403181675e-01 -8.403181675e-01 4.40 -8.132449079e-01 -8.132449079e-01 4.42 -7.870732434e-01 -7.870732434e-01 4.44 -7.617507354e-01 -7.617507354e-01 4.46 -7.372187742e-01 -7.372187742e-01 4.48 -7.134144881e-01 -7.134144881e-01 4.50 -6.902725010e-01 -6.902725010e-01 4.52 -6.677264789e-01 -6.677264789e-01 4.54 -6.457104532e-01 -6.457104532e-01 4.56 -6.241599416e-01 -6.241599416e-01 4.58 -6.030129115e-01 -6.030129115e-01 4.60 -5.822106454e-01 -5.822106454e-01 4.62 -5.616985636e-01 -5.616985636e-01 4.64 -5.414270547e-01 -5.414270547e-01 4.66 -5.213523467e-01 -5.213523467e-01 4.68 -5.014374258e-01 -5.014374258e-01 4.70 -4.816529916e-01 -4.816529916e-01 4.72 -4.619784023e-01 -4.619784023e-01 4.74 -4.424025469e-01 -4.424025469e-01 4.76 -4.229245585e-01 -4.229245585e-01 4.78 -4.035542769e-01 -4.035542769e-01 4.80 -3.843122849e-01 -3.843122849e-01 4.82 -3.652299753e-01 -3.652299753e-01 4.84 -3.463482570e-01 -3.463482570e-01 4.86 -3.277167544e-01 -3.277167544e-01 4.88 -3.093921094e-01 -3.093921094e-01 4.90 -2.914360541e-01 -2.914360541e-01 4.92 -2.739132553e-01 -2.739132553e-01 4.94 -2.568890398e-01 -2.568890398e-01 4.96 -2.404271095e-01 -2.404271095e-01 4.98 -2.245873412e-01 -2.245873412e-01 5.00 -2.094237534e-01 -2.094237534e-01 5.02 -1.949827137e-01 -1.949827137e-01 5.04 -1.813014541e-01 -1.813014541e-01 5.06 -1.684069578e-01 -1.684069578e-01 5.08 -1.563152722e-01 -1.563152722e-01 5.10 -1.450312890e-01 -1.450312890e-01 5.12 -1.345490004e-01 -1.345490004e-01 5.14 -1.248522091e-01 -1.248522091e-01 5.16 -1.159156297e-01 -1.159156297e-01 5.18 -1.077062878e-01 -1.077062878e-01 5.20 -1.001851033e-01 -1.001851033e-01 5.22 -9.330854037e-02 -9.330854037e-02 5.24 -8.703021247e-02 -8.703021247e-02 5.26 -8.130235858e-02 -8.130235858e-02 5.28 -7.607712113e-02 -7.607712113e-02 5.30 -7.130760289e-02 -7.130760289e-02 5.32 -6.694868674e-02 -6.694868674e-02 5.34 -6.295760311e-02 -6.295760311e-02 5.36 -5.929389389e-02 -5.929389389e-02 5.38 -5.592077153e-02 -5.592077153e-02 5.40 -5.280462085e-02 -5.280462085e-02 5.42 -4.991471400e-02 -4.991471400e-02 5.44 -4.722319257e-02 -4.722319257e-02 5.46 -4.470497590e-02 -4.470497590e-02 5.48 -4.233762684e-02 -4.233762684e-02 5.50 -4.010119858e-02 -4.010119858e-02 5.52 -3.797807984e-02 -3.797807984e-02 5.54 -3.595284984e-02 -3.595284984e-02 5.56 -3.401215000e-02 -3.401215000e-02 5.58 -3.214457562e-02 -3.214457562e-02 5.60 -3.034058686e-02 -3.034058686e-02 5.62 -2.859243577e-02 -2.859243577e-02 5.64 -2.689410313e-02 -2.689410313e-02 5.66 -2.524123643e-02 -2.524123643e-02 5.68 -2.363108164e-02 -2.363108164e-02 5.70 -2.206239425e-02 -2.206239425e-02 5.72 -2.053532231e-02 -2.053532231e-02 5.74 -1.905125373e-02 -1.905125373e-02 5.76 -1.761262329e-02 -1.761262329e-02 5.78 -1.622267863e-02 -1.622267863e-02 5.80 -1.488521567e-02 -1.488521567e-02 5.82 -1.360429135e-02 -1.360429135e-02 5.84 -1.238392921e-02 -1.238392921e-02 5.86 -1.122783877e-02 -1.122783877e-02 5.88 -1.013916684e-02 -1.013916684e-02 5.90 -9.120297390e-03 -9.120297390e-03 5.92 -8.172808547e-03 -8.172808547e-03 5.94 -7.297433064e-03 -7.297433064e-03 5.96 -6.493526721e-03 -6.493526721e-03 5.98 -5.759537612e-03 -5.759537612e-03 6.00 -5.093125601e-03 -5.093125601e-03