# 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 = PbPd2Zr # 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 4.226993457e+02 4.226993457e+02 1.30 3.944743293e+02 3.944743293e+02 1.32 3.682201428e+02 3.682201428e+02 1.34 3.437817473e+02 3.437817473e+02 1.36 3.210180348e+02 3.210180348e+02 1.38 2.998008921e+02 2.998008921e+02 1.40 2.800138832e+02 2.800138832e+02 1.42 2.615510141e+02 2.615510141e+02 1.44 2.443154365e+02 2.443154365e+02 1.46 2.282180870e+02 2.282180870e+02 1.48 2.131766138e+02 2.131766138e+02 1.50 1.991149811e+02 1.991149811e+02 1.52 1.859633549e+02 1.859633549e+02 1.54 1.736576719e+02 1.736576719e+02 1.56 1.621387923e+02 1.621387923e+02 1.58 1.513516033e+02 1.513516033e+02 1.60 1.412446389e+02 1.412446389e+02 1.62 1.317701949e+02 1.317701949e+02 1.64 1.228846094e+02 1.228846094e+02 1.66 1.145482389e+02 1.145482389e+02 1.68 1.067250618e+02 1.067250618e+02 1.70 9.938188009e+01 9.938188009e+01 1.72 9.248750906e+01 9.248750906e+01 1.74 8.601223473e+01 8.601223473e+01 1.76 7.992776847e+01 7.992776847e+01 1.78 7.420756456e+01 7.420756456e+01 1.80 6.882744586e+01 6.882744586e+01 1.82 6.376582568e+01 6.376582568e+01 1.84 5.900323077e+01 5.900323077e+01 1.86 5.454311437e+01 5.454311437e+01 1.88 5.038261160e+01 5.038261160e+01 1.90 4.650233410e+01 4.650233410e+01 1.92 4.288374826e+01 4.288374826e+01 1.94 3.950920851e+01 3.950920851e+01 1.96 3.636214578e+01 3.636214578e+01 1.98 3.342717890e+01 3.342717890e+01 2.00 3.069011787e+01 3.069011787e+01 2.02 2.813786595e+01 2.813786595e+01 2.04 2.575828235e+01 2.575828235e+01 2.06 2.354005461e+01 2.354005461e+01 2.08 2.147260983e+01 2.147260983e+01 2.10 1.954605200e+01 1.954605200e+01 2.12 1.775111826e+01 1.775111826e+01 2.14 1.607914494e+01 1.607914494e+01 2.16 1.452203189e+01 1.452203189e+01 2.18 1.307220779e+01 1.307220779e+01 2.20 1.172260555e+01 1.172260555e+01 2.22 1.046663063e+01 1.046663063e+01 2.24 9.298136524e+00 9.298136524e+00 2.26 8.211403901e+00 8.211403901e+00 2.28 7.201128925e+00 7.201128925e+00 2.30 6.262397175e+00 6.262397175e+00 2.32 5.390659800e+00 5.390659800e+00 2.34 4.581692532e+00 4.581692532e+00 2.36 3.831553614e+00 3.831553614e+00 2.38 3.136546343e+00 3.136546343e+00 2.40 2.493191654e+00 2.493191654e+00 2.42 1.898205566e+00 1.898205566e+00 2.44 1.348486580e+00 1.348486580e+00 2.46 8.410955369e-01 8.410955369e-01 2.48 3.732389729e-01 3.732389729e-01 2.50 -5.774404916e-02 -5.774404916e-02 2.52 -4.543850334e-01 -4.543850334e-01 2.54 -8.190770934e-01 -8.190770934e-01 2.56 -1.154115037e+00 -1.154115037e+00 2.58 -1.461555114e+00 -1.461555114e+00 2.60 -1.743219919e+00 -1.743219919e+00 2.62 -2.000783176e+00 -2.000783176e+00 2.64 -2.235788326e+00 -2.235788326e+00 2.66 -2.449656208e+00 -2.449656208e+00 2.68 -2.643711272e+00 -2.643711272e+00 2.70 -2.819195439e+00 -2.819195439e+00 2.72 -2.977223368e+00 -2.977223368e+00 2.74 -3.118746122e+00 -3.118746122e+00 2.76 -3.244679944e+00 -3.244679944e+00 2.78 -3.355917791e+00 -3.355917791e+00 2.80 -3.453332660e+00 -3.453332660e+00 2.82 -3.537764765e+00 -3.537764765e+00 2.84 -3.610030578e+00 -3.610030578e+00 2.86 -3.670923660e+00 -3.670923660e+00 2.88 -3.721218232e+00 -3.721218232e+00 2.90 -3.761671337e+00 -3.761671337e+00 2.92 -3.793031166e+00 -3.793031166e+00 2.94 -3.816478735e+00 -3.816478735e+00 2.96 -3.832754174e+00 -3.832754174e+00 2.98 -3.842257259e+00 -3.842257259e+00 3.00 -3.845387312e+00 -3.845387312e+00 3.02 -3.842533663e+00 -3.842533663e+00 3.04 -3.834068387e+00 -3.834068387e+00 3.06 -3.820350142e+00 -3.820350142e+00 3.08 -3.801715013e+00 -3.801715013e+00 3.10 -3.778485761e+00 -3.778485761e+00 3.12 -3.750985018e+00 -3.750985018e+00 3.14 -3.719582317e+00 -3.719582317e+00 3.16 -3.684629267e+00 -3.684629267e+00 3.18 -3.646464182e+00 -3.646464182e+00 3.20 -3.605411818e+00 -3.605411818e+00 3.22 -3.561785648e+00 -3.561785648e+00 3.24 -3.515889553e+00 -3.515889553e+00 3.26 -3.468018988e+00 -3.468018988e+00 3.28 -3.418461298e+00 -3.418461298e+00 3.30 -3.367494626e+00 -3.367494626e+00 3.32 -3.315384958e+00 -3.315384958e+00 3.34 -3.262381489e+00 -3.262381489e+00 3.36 -3.208711279e+00 -3.208711279e+00 3.38 -3.154574618e+00 -3.154574618e+00 3.40 -3.100165192e+00 -3.100165192e+00 3.42 -3.045628895e+00 -3.045628895e+00 3.44 -2.991051200e+00 -2.991051200e+00 3.46 -2.936502618e+00 -2.936502618e+00 3.48 -2.882040760e+00 -2.882040760e+00 3.50 -2.827713549e+00 -2.827713549e+00 3.52 -2.773561692e+00 -2.773561692e+00 3.54 -2.719620274e+00 -2.719620274e+00 3.56 -2.665919483e+00 -2.665919483e+00 3.58 -2.612482146e+00 -2.612482146e+00 3.60 -2.559319985e+00 -2.559319985e+00 3.62 -2.506441296e+00 -2.506441296e+00 3.64 -2.453851871e+00 -2.453851871e+00 3.66 -2.401555211e+00 -2.401555211e+00 3.68 -2.349553112e+00 -2.349553112e+00 3.70 -2.297846615e+00 -2.297846615e+00 3.72 -2.246437304e+00 -2.246437304e+00 3.74 -2.195328880e+00 -2.195328880e+00 3.76 -2.144528896e+00 -2.144528896e+00 3.78 -2.094050478e+00 -2.094050478e+00 3.80 -2.043913834e+00 -2.043913834e+00 3.82 -1.994147258e+00 -1.994147258e+00 3.84 -1.944787371e+00 -1.944787371e+00 3.86 -1.895878381e+00 -1.895878381e+00 3.88 -1.847470310e+00 -1.847470310e+00 3.90 -1.799616353e+00 -1.799616353e+00 3.92 -1.752368122e+00 -1.752368122e+00 3.94 -1.705779640e+00 -1.705779640e+00 3.96 -1.659894009e+00 -1.659894009e+00 3.98 -1.614749893e+00 -1.614749893e+00 4.00 -1.570379377e+00 -1.570379377e+00 4.02 -1.526808886e+00 -1.526808886e+00 4.04 -1.484060734e+00 -1.484060734e+00 4.06 -1.442154819e+00 -1.442154819e+00 4.08 -1.401110031e+00 -1.401110031e+00 4.10 -1.360940397e+00 -1.360940397e+00 4.12 -1.321674746e+00 -1.321674746e+00 4.14 -1.283325164e+00 -1.283325164e+00 4.16 -1.245907547e+00 -1.245907547e+00 4.18 -1.209434324e+00 -1.209434324e+00 4.20 -1.173912945e+00 -1.173912945e+00 4.22 -1.139344636e+00 -1.139344636e+00 4.24 -1.105723596e+00 -1.105723596e+00 4.26 -1.073036745e+00 -1.073036745e+00 4.28 -1.041264003e+00 -1.041264003e+00 4.30 -1.010379022e+00 -1.010379022e+00 4.32 -9.803502150e-01 -9.803502150e-01 4.34 -9.511419556e-01 -9.511419556e-01 4.36 -9.227157926e-01 -9.227157926e-01 4.38 -8.950315921e-01 -8.950315921e-01 4.40 -8.680485434e-01 -8.680485434e-01 4.42 -8.417260073e-01 -8.417260073e-01 4.44 -8.160242180e-01 -8.160242180e-01 4.46 -7.909048644e-01 -7.909048644e-01 4.48 -7.663315935e-01 -7.663315935e-01 4.50 -7.422704753e-01 -7.422704753e-01 4.52 -7.186904676e-01 -7.186904676e-01 4.54 -6.955639079e-01 -6.955639079e-01 4.56 -6.728670457e-01 -6.728670457e-01 4.58 -6.505806128e-01 -6.505806128e-01 4.60 -6.286904085e-01 -6.286904085e-01 4.62 -6.071878584e-01 -6.071878584e-01 4.64 -5.860704854e-01 -5.860704854e-01 4.66 -5.653422184e-01 -5.653422184e-01 4.68 -5.450134556e-01 -5.450134556e-01 4.70 -5.251008071e-01 -5.251008071e-01 4.72 -5.056264564e-01 -5.056264564e-01 4.74 -4.866171174e-01 -4.866171174e-01 4.76 -4.681026074e-01 -4.681026074e-01 4.78 -4.501141088e-01 -4.501141088e-01 4.80 -4.326784030e-01 -4.326784030e-01 4.82 -4.158319075e-01 -4.158319075e-01 4.84 -3.995937993e-01 -3.995937993e-01 4.86 -3.839820141e-01 -3.839820141e-01 4.88 -3.690075544e-01 -3.690075544e-01 4.90 -3.546739083e-01 -3.546739083e-01 4.92 -3.409769813e-01 -3.409769813e-01 4.94 -3.279054940e-01 -3.279054940e-01 4.96 -3.154417578e-01 -3.154417578e-01 4.98 -3.035627149e-01 -3.035627149e-01 5.00 -2.922411233e-01 -2.922411233e-01 5.02 -2.814467777e-01 -2.814467777e-01 5.04 -2.711476787e-01 -2.711476787e-01 5.06 -2.613110851e-01 -2.613110851e-01 5.08 -2.519044150e-01 -2.519044150e-01 5.10 -2.428959764e-01 -2.428959764e-01 5.12 -2.342555324e-01 -2.342555324e-01 5.14 -2.259547105e-01 -2.259547105e-01 5.16 -2.179672779e-01 -2.179672779e-01 5.18 -2.102693033e-01 -2.102693033e-01 5.20 -2.028392295e-01 -2.028392295e-01 5.22 -1.956578758e-01 -1.956578758e-01 5.24 -1.887083905e-01 -1.887083905e-01 5.26 -1.819761684e-01 -1.819761684e-01 5.28 -1.754487468e-01 -1.754487468e-01 5.30 -1.691156397e-01 -1.691156397e-01 5.32 -1.629682197e-01 -1.629682197e-01 5.34 -1.569998090e-01 -1.569998090e-01 5.36 -1.512053739e-01 -1.512053739e-01 5.38 -1.455813777e-01 -1.455813777e-01 5.40 -1.401256293e-01 -1.401256293e-01 5.42 -1.348371007e-01 -1.348371007e-01 5.44 -1.297157079e-01 -1.297157079e-01 5.46 -1.247620527e-01 -1.247620527e-01 5.48 -1.199771257e-01 -1.199771257e-01 5.50 -1.153619810e-01 -1.153619810e-01 5.52 -1.109174056e-01 -1.109174056e-01 5.54 -1.066436026e-01 -1.066436026e-01 5.56 -1.025399179e-01 -1.025399179e-01 5.58 -9.860462905e-02 -9.860462905e-02 5.60 -9.483456023e-02 -9.483456023e-02 5.62 -9.122527130e-02 -9.122527130e-02 5.64 -8.777172280e-02 -8.777172280e-02 5.66 -8.446768794e-02 -8.446768794e-02 5.68 -8.130593018e-02 -8.130593018e-02 5.70 -7.827843270e-02 -7.827843270e-02 5.72 -7.537664011e-02 -7.537664011e-02 5.74 -7.259169395e-02 -7.259169395e-02 5.76 -6.991464838e-02 -6.991464838e-02 5.78 -6.733665738e-02 -6.733665738e-02 5.80 -6.484912981e-02 -6.484912981e-02 5.82 -6.244385188e-02 -6.244385188e-02 5.84 -6.011307956e-02 -6.011307956e-02 5.86 -5.784960466e-02 -5.784960466e-02 5.88 -5.564679919e-02 -5.564679919e-02 5.90 -5.349864238e-02 -5.349864238e-02 5.92 -5.139973452e-02 -5.139973452e-02 5.94 -4.934530090e-02 -4.934530090e-02 5.96 -4.733118859e-02 -4.733118859e-02 5.98 -4.535385809e-02 -4.535385809e-02 6.00 -4.341037144e-02 -4.341037144e-02