# 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 = PdPt2Ti # 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 3.839333804e+02 3.839333804e+02 1.30 3.582505149e+02 3.582505149e+02 1.32 3.342777493e+02 3.342777493e+02 1.34 3.118898237e+02 3.118898237e+02 1.36 2.909694889e+02 2.909694889e+02 1.38 2.714083551e+02 2.714083551e+02 1.40 2.531110262e+02 2.531110262e+02 1.42 2.359965342e+02 2.359965342e+02 1.44 2.199920818e+02 2.199920818e+02 1.46 2.050248150e+02 2.050248150e+02 1.48 1.910201311e+02 1.910201311e+02 1.50 1.779055593e+02 1.779055593e+02 1.52 1.656138293e+02 1.656138293e+02 1.54 1.540828515e+02 1.540828515e+02 1.56 1.432546592e+02 1.432546592e+02 1.58 1.330751050e+02 1.330751050e+02 1.60 1.234942287e+02 1.234942287e+02 1.62 1.144665243e+02 1.144665243e+02 1.64 1.059508989e+02 1.059508989e+02 1.66 9.791080485e+01 9.791080485e+01 1.68 9.031486169e+01 9.031486169e+01 1.70 8.313736748e+01 8.313736748e+01 1.72 7.635755315e+01 7.635755315e+01 1.74 6.995710993e+01 6.995710993e+01 1.76 6.391707323e+01 6.391707323e+01 1.78 5.821601314e+01 5.821601314e+01 1.80 5.283811028e+01 5.283811028e+01 1.82 4.785507133e+01 4.785507133e+01 1.84 4.326708520e+01 4.326708520e+01 1.86 3.904260221e+01 3.904260221e+01 1.88 3.515557017e+01 3.515557017e+01 1.90 3.158370225e+01 3.158370225e+01 1.92 2.830638129e+01 2.830638129e+01 1.94 2.530307955e+01 2.530307955e+01 1.96 2.255281733e+01 2.255281733e+01 1.98 2.003454461e+01 2.003454461e+01 2.00 1.772793161e+01 1.772793161e+01 2.02 1.561407571e+01 1.561407571e+01 2.04 1.367588840e+01 1.367588840e+01 2.06 1.189816395e+01 1.189816395e+01 2.08 1.026743961e+01 1.026743961e+01 2.10 8.771755396e+00 8.771755396e+00 2.12 7.400385826e+00 7.400385826e+00 2.14 6.143596497e+00 6.143596497e+00 2.16 4.992465874e+00 4.992465874e+00 2.18 3.938788029e+00 3.938788029e+00 2.20 2.975037773e+00 2.975037773e+00 2.22 2.094360060e+00 2.094360060e+00 2.24 1.290551468e+00 1.290551468e+00 2.26 5.580194048e-01 5.580194048e-01 2.28 -1.082796651e-01 -1.082796651e-01 2.30 -7.129145771e-01 -7.129145771e-01 2.32 -1.260057012e+00 -1.260057012e+00 2.34 -1.753554542e+00 -1.753554542e+00 2.36 -2.196994058e+00 -2.196994058e+00 2.38 -2.593755337e+00 -2.593755337e+00 2.40 -2.947057826e+00 -2.947057826e+00 2.42 -3.260003692e+00 -3.260003692e+00 2.44 -3.535616418e+00 -3.535616418e+00 2.46 -3.776871245e+00 -3.776871245e+00 2.48 -3.986712316e+00 -3.986712316e+00 2.50 -4.168052193e+00 -4.168052193e+00 2.52 -4.323749804e+00 -4.323749804e+00 2.54 -4.456564690e+00 -4.456564690e+00 2.56 -4.569091105e+00 -4.569091105e+00 2.58 -4.664763694e+00 -4.664763694e+00 2.60 -4.747190724e+00 -4.747190724e+00 2.62 -4.817421243e+00 -4.817421243e+00 2.64 -4.876270998e+00 -4.876270998e+00 2.66 -4.924387247e+00 -4.924387247e+00 2.68 -4.962285619e+00 -4.962285619e+00 2.70 -4.990430895e+00 -4.990430895e+00 2.72 -5.009171131e+00 -5.009171131e+00 2.74 -5.018803918e+00 -5.018803918e+00 2.76 -5.019624188e+00 -5.019624188e+00 2.78 -5.011930362e+00 -5.011930362e+00 2.80 -4.996028382e+00 -4.996028382e+00 2.82 -4.972236510e+00 -4.972236510e+00 2.84 -4.940910278e+00 -4.940910278e+00 2.86 -4.902664777e+00 -4.902664777e+00 2.88 -4.857891340e+00 -4.857891340e+00 2.90 -4.806905993e+00 -4.806905993e+00 2.92 -4.750121918e+00 -4.750121918e+00 2.94 -4.688070654e+00 -4.688070654e+00 2.96 -4.621392667e+00 -4.621392667e+00 2.98 -4.550813094e+00 -4.550813094e+00 3.00 -4.477103039e+00 -4.477103039e+00 3.02 -4.401031058e+00 -4.401031058e+00 3.04 -4.323319029e+00 -4.323319029e+00 3.06 -4.244614033e+00 -4.244614033e+00 3.08 -4.165437753e+00 -4.165437753e+00 3.10 -4.086171454e+00 -4.086171454e+00 3.12 -4.007064417e+00 -4.007064417e+00 3.14 -3.928255051e+00 -3.928255051e+00 3.16 -3.849797719e+00 -3.849797719e+00 3.18 -3.771690642e+00 -3.771690642e+00 3.20 -3.693899984e+00 -3.693899984e+00 3.22 -3.616378609e+00 -3.616378609e+00 3.24 -3.539079248e+00 -3.539079248e+00 3.26 -3.461962941e+00 -3.461962941e+00 3.28 -3.385003903e+00 -3.385003903e+00 3.30 -3.308191916e+00 -3.308191916e+00 3.32 -3.231533054e+00 -3.231533054e+00 3.34 -3.155049283e+00 -3.155049283e+00 3.36 -3.078777274e+00 -3.078777274e+00 3.38 -3.002766669e+00 -3.002766669e+00 3.40 -2.927078009e+00 -2.927078009e+00 3.42 -2.851780664e+00 -2.851780664e+00 3.44 -2.776979155e+00 -2.776979155e+00 3.46 -2.702853234e+00 -2.702853234e+00 3.48 -2.629578667e+00 -2.629578667e+00 3.50 -2.557313516e+00 -2.557313516e+00 3.52 -2.486199063e+00 -2.486199063e+00 3.54 -2.416360014e+00 -2.416360014e+00 3.56 -2.347903917e+00 -2.347903917e+00 3.58 -2.280919936e+00 -2.280919936e+00 3.60 -2.215477318e+00 -2.215477318e+00 3.62 -2.151624073e+00 -2.151624073e+00 3.64 -2.089386365e+00 -2.089386365e+00 3.66 -2.028768955e+00 -2.028768955e+00 3.68 -1.969756779e+00 -1.969756779e+00 3.70 -1.912317483e+00 -1.912317483e+00 3.72 -1.856404606e+00 -1.856404606e+00 3.74 -1.801961029e+00 -1.801961029e+00 3.76 -1.748922405e+00 -1.748922405e+00 3.78 -1.697220334e+00 -1.697220334e+00 3.80 -1.646785157e+00 -1.646785157e+00 3.82 -1.597548305e+00 -1.597548305e+00 3.84 -1.549444175e+00 -1.549444175e+00 3.86 -1.502411558e+00 -1.502411558e+00 3.88 -1.456394666e+00 -1.456394666e+00 3.90 -1.411343826e+00 -1.411343826e+00 3.92 -1.367215930e+00 -1.367215930e+00 3.94 -1.323974867e+00 -1.323974867e+00 3.96 -1.281591719e+00 -1.281591719e+00 3.98 -1.240045249e+00 -1.240045249e+00 4.00 -1.199322363e+00 -1.199322363e+00 4.02 -1.159418668e+00 -1.159418668e+00 4.04 -1.120338996e+00 -1.120338996e+00 4.06 -1.082097755e+00 -1.082097755e+00 4.08 -1.044718896e+00 -1.044718896e+00 4.10 -1.008235238e+00 -1.008235238e+00 4.12 -9.726872683e-01 -9.726872683e-01 4.14 -9.381205746e-01 -9.381205746e-01 4.16 -9.045829762e-01 -9.045829762e-01 4.18 -8.721207342e-01 -8.721207342e-01 4.20 -8.407745080e-01 -8.407745080e-01 4.22 -8.105754277e-01 -8.105754277e-01 4.24 -7.815417368e-01 -7.815417368e-01 4.26 -7.536763978e-01 -7.536763978e-01 4.28 -7.269659100e-01 -7.269659100e-01 4.30 -7.013804051e-01 -7.013804051e-01 4.32 -6.768749008e-01 -6.768749008e-01 4.34 -6.533914460e-01 -6.533914460e-01 4.36 -6.308618151e-01 -6.308618151e-01 4.38 -6.092104005e-01 -6.092104005e-01 4.40 -5.883570070e-01 -5.883570070e-01 4.42 -5.682193348e-01 -5.682193348e-01 4.44 -5.487150361e-01 -5.487150361e-01 4.46 -5.297633179e-01 -5.297633179e-01 4.48 -5.112861282e-01 -5.112861282e-01 4.50 -4.932090076e-01 -4.932090076e-01 4.52 -4.754617118e-01 -4.754617118e-01 4.54 -4.579787098e-01 -4.579787098e-01 4.56 -4.406996614e-01 -4.406996614e-01 4.58 -4.235699536e-01 -4.235699536e-01 4.60 -4.065413606e-01 -4.065413606e-01 4.62 -3.895728594e-01 -3.895728594e-01 4.64 -3.726316078e-01 -3.726316078e-01 4.66 -3.556940568e-01 -3.556940568e-01 4.68 -3.387471347e-01 -3.387471347e-01 4.70 -3.217894054e-01 -3.217894054e-01 4.72 -3.048320726e-01 -3.048320726e-01 4.74 -2.878996741e-01 -2.878996741e-01 4.76 -2.710303051e-01 -2.710303051e-01 4.78 -2.542752151e-01 -2.542752151e-01 4.80 -2.376976211e-01 -2.376976211e-01 4.82 -2.213709348e-01 -2.213709348e-01 4.84 -2.053757814e-01 -2.053757814e-01 4.86 -1.897968338e-01 -1.897968338e-01 4.88 -1.747189884e-01 -1.747189884e-01 4.90 -1.602234626e-01 -1.602234626e-01 4.92 -1.463840881e-01 -1.463840881e-01 4.94 -1.332641097e-01 -1.332641097e-01 4.96 -1.209137409e-01 -1.209137409e-01 4.98 -1.093686275e-01 -1.093686275e-01 5.00 -9.864926391e-02 -9.864926391e-02 5.02 -8.876130184e-02 -8.876130184e-02 5.04 -7.969660660e-02 -7.969660660e-02 5.06 -7.143487259e-02 -7.143487259e-02 5.08 -6.394559130e-02 -6.394559130e-02 5.10 -5.719018036e-02 -5.719018036e-02 5.12 -5.112411236e-02 -5.112411236e-02 5.14 -4.569892250e-02 -4.569892250e-02 5.16 -4.086401095e-02 -4.086401095e-02 5.18 -3.656818682e-02 -3.656818682e-02 5.20 -3.276095071e-02 -3.276095071e-02 5.22 -2.939350438e-02 -2.939350438e-02 5.24 -2.641949869e-02 -2.641949869e-02 5.26 -2.379547312e-02 -2.379547312e-02 5.28 -2.148109493e-02 -2.148109493e-02 5.30 -1.943979136e-02 -1.943979136e-02 5.32 -1.763837523e-02 -1.763837523e-02 5.34 -1.604708939e-02 -1.604708939e-02 5.36 -1.463929474e-02 -1.463929474e-02 5.38 -1.339130155e-02 -1.339130155e-02 5.40 -1.228216170e-02 -1.228216170e-02 5.42 -1.129343796e-02 -1.129343796e-02 5.44 -1.040896629e-02 -1.040896629e-02 5.46 -9.614622541e-03 -9.614622541e-03 5.48 -8.898101182e-03 -8.898101182e-03 5.50 -8.248710642e-03 -8.248710642e-03 5.52 -7.657187819e-03 -7.657187819e-03 5.54 -7.115531236e-03 -7.115531236e-03 5.56 -6.616858277e-03 -6.616858277e-03 5.58 -6.155278670e-03 -6.155278670e-03 5.60 -5.725783823e-03 -5.725783823e-03 5.62 -5.324152374e-03 -5.324152374e-03 5.64 -4.946868209e-03 -4.946868209e-03 5.66 -4.591048222e-03 -4.591048222e-03 5.68 -4.254377008e-03 -4.254377008e-03 5.70 -3.935045777e-03 -3.935045777e-03 5.72 -3.631693016e-03 -3.631693016e-03 5.74 -3.343344978e-03 -3.343344978e-03 5.76 -3.069360279e-03 -3.069360279e-03 5.78 -2.809803021e-03 -2.809803021e-03 5.80 -2.564602340e-03 -2.564602340e-03 5.82 -2.333489297e-03 -2.333489297e-03 5.84 -2.116300200e-03 -2.116300200e-03 5.86 -1.912925106e-03 -1.912925106e-03 5.88 -1.723261865e-03 -1.723261865e-03 5.90 -1.547177499e-03 -1.547177499e-03 5.92 -1.384478336e-03 -1.384478336e-03 5.94 -1.234889725e-03 -1.234889725e-03 5.96 -1.098045395e-03 -1.098045395e-03 5.98 -9.734858189e-04 -9.734858189e-04 6.00 -8.606642568e-04 -8.606642568e-04