# 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 = AgMoPb2 # 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 3.923426905e+02 3.923426905e+02 1.30 3.660810167e+02 3.660810167e+02 1.32 3.416530756e+02 3.416530756e+02 1.34 3.189175084e+02 3.189175084e+02 1.36 2.977479257e+02 2.977479257e+02 1.38 2.780299033e+02 2.780299033e+02 1.40 2.596581064e+02 2.596581064e+02 1.42 2.425342185e+02 2.425342185e+02 1.44 2.265658829e+02 2.265658829e+02 1.46 2.116665014e+02 2.116665014e+02 1.48 1.977555016e+02 1.977555016e+02 1.50 1.847586141e+02 1.847586141e+02 1.52 1.726078603e+02 1.726078603e+02 1.54 1.612413067e+02 1.612413067e+02 1.56 1.506025816e+02 1.506025816e+02 1.58 1.406402744e+02 1.406402744e+02 1.60 1.313072571e+02 1.313072571e+02 1.62 1.225600982e+02 1.225600982e+02 1.64 1.143586001e+02 1.143586001e+02 1.66 1.066655475e+02 1.066655475e+02 1.68 9.944657872e+01 9.944657872e+01 1.70 9.267009795e+01 9.267009795e+01 1.72 8.630743531e+01 8.630743531e+01 1.74 8.033440465e+01 8.033440465e+01 1.76 7.473137124e+01 7.473137124e+01 1.78 6.949043153e+01 6.949043153e+01 1.80 6.459252820e+01 6.459252820e+01 1.82 6.001834821e+01 6.001834821e+01 1.84 5.574934325e+01 5.574934325e+01 1.86 5.176732214e+01 5.176732214e+01 1.88 4.805431161e+01 4.805431161e+01 1.90 4.459263233e+01 4.459263233e+01 1.92 4.136509680e+01 4.136509680e+01 1.94 3.835526977e+01 3.835526977e+01 1.96 3.554766827e+01 3.554766827e+01 1.98 3.292788190e+01 3.292788190e+01 2.00 3.048258142e+01 3.048258142e+01 2.02 2.819944155e+01 2.819944155e+01 2.04 2.606702180e+01 2.606702180e+01 2.06 2.407465929e+01 2.407465929e+01 2.08 2.221240702e+01 2.221240702e+01 2.10 2.047100548e+01 2.047100548e+01 2.12 1.884188809e+01 1.884188809e+01 2.14 1.731717889e+01 1.731717889e+01 2.16 1.588968221e+01 1.588968221e+01 2.18 1.455285559e+01 1.455285559e+01 2.20 1.330076043e+01 1.330076043e+01 2.22 1.212800463e+01 1.212800463e+01 2.24 1.102967678e+01 1.102967678e+01 2.26 1.000128094e+01 1.000128094e+01 2.28 9.038678453e+00 9.038678453e+00 2.30 8.138031522e+00 8.138031522e+00 2.32 7.295753041e+00 7.295753041e+00 2.34 6.508474739e+00 6.508474739e+00 2.36 5.773006412e+00 5.773006412e+00 2.38 5.086310930e+00 5.086310930e+00 2.40 4.445485832e+00 4.445485832e+00 2.42 3.847755829e+00 3.847755829e+00 2.44 3.290474300e+00 3.290474300e+00 2.46 2.771133739e+00 2.771133739e+00 2.48 2.287386514e+00 2.287386514e+00 2.50 1.837150266e+00 1.837150266e+00 2.52 1.418333050e+00 1.418333050e+00 2.54 1.028957687e+00 1.028957687e+00 2.56 6.672160732e-01 6.672160732e-01 2.58 3.314501995e-01 3.314501995e-01 2.60 2.013088913e-02 2.013088913e-02 2.62 -2.681624596e-01 -2.681624596e-01 2.64 -5.347656380e-01 -5.347656380e-01 2.66 -7.809321417e-01 -7.809321417e-01 2.68 -1.007758667e+00 -1.007758667e+00 2.70 -1.216227229e+00 -1.216227229e+00 2.72 -1.407298916e+00 -1.407298916e+00 2.74 -1.581912003e+00 -1.581912003e+00 2.76 -1.740976843e+00 -1.740976843e+00 2.78 -1.885371372e+00 -1.885371372e+00 2.80 -2.015938703e+00 -2.015938703e+00 2.82 -2.133484060e+00 -2.133484060e+00 2.84 -2.238775206e+00 -2.238775206e+00 2.86 -2.332543104e+00 -2.332543104e+00 2.88 -2.415483937e+00 -2.415483937e+00 2.90 -2.488261910e+00 -2.488261910e+00 2.92 -2.551512408e+00 -2.551512408e+00 2.94 -2.605854775e+00 -2.605854775e+00 2.96 -2.652013268e+00 -2.652013268e+00 2.98 -2.690430448e+00 -2.690430448e+00 3.00 -2.721469170e+00 -2.721469170e+00 3.02 -2.745518445e+00 -2.745518445e+00 3.04 -2.762990103e+00 -2.762990103e+00 3.06 -2.774315293e+00 -2.774315293e+00 3.08 -2.779937988e+00 -2.779937988e+00 3.10 -2.780316219e+00 -2.780316219e+00 3.12 -2.775894556e+00 -2.775894556e+00 3.14 -2.767099331e+00 -2.767099331e+00 3.16 -2.754324114e+00 -2.754324114e+00 3.18 -2.737932181e+00 -2.737932181e+00 3.20 -2.718251798e+00 -2.718251798e+00 3.22 -2.695574136e+00 -2.695574136e+00 3.24 -2.670152332e+00 -2.670152332e+00 3.26 -2.642259505e+00 -2.642259505e+00 3.28 -2.612095410e+00 -2.612095410e+00 3.30 -2.579692632e+00 -2.579692632e+00 3.32 -2.545081047e+00 -2.545081047e+00 3.34 -2.508298451e+00 -2.508298451e+00 3.36 -2.469400010e+00 -2.469400010e+00 3.38 -2.428464949e+00 -2.428464949e+00 3.40 -2.385567806e+00 -2.385567806e+00 3.42 -2.340794269e+00 -2.340794269e+00 3.44 -2.294280483e+00 -2.294280483e+00 3.46 -2.246212792e+00 -2.246212792e+00 3.48 -2.196820617e+00 -2.196820617e+00 3.50 -2.146366305e+00 -2.146366305e+00 3.52 -2.095132730e+00 -2.095132730e+00 3.54 -2.043409986e+00 -2.043409986e+00 3.56 -1.991482608e+00 -1.991482608e+00 3.58 -1.939618544e+00 -1.939618544e+00 3.60 -1.888060738e+00 -1.888060738e+00 3.62 -1.837021744e+00 -1.837021744e+00 3.64 -1.786681316e+00 -1.786681316e+00 3.66 -1.737186545e+00 -1.737186545e+00 3.68 -1.688653882e+00 -1.688653882e+00 3.70 -1.641172282e+00 -1.641172282e+00 3.72 -1.594806773e+00 -1.594806773e+00 3.74 -1.549601891e+00 -1.549601891e+00 3.76 -1.505584682e+00 -1.505584682e+00 3.78 -1.462767175e+00 -1.462767175e+00 3.80 -1.421148414e+00 -1.421148414e+00 3.82 -1.380716249e+00 -1.380716249e+00 3.84 -1.341449069e+00 -1.341449069e+00 3.86 -1.303317582e+00 -1.303317582e+00 3.88 -1.266286677e+00 -1.266286677e+00 3.90 -1.230317293e+00 -1.230317293e+00 3.92 -1.195367356e+00 -1.195367356e+00 3.94 -1.161396755e+00 -1.161396755e+00 3.96 -1.128363175e+00 -1.128363175e+00 3.98 -1.096226796e+00 -1.096226796e+00 4.00 -1.064949864e+00 -1.064949864e+00 4.02 -1.034497004e+00 -1.034497004e+00 4.04 -1.004835312e+00 -1.004835312e+00 4.06 -9.759343312e-01 -9.759343312e-01 4.08 -9.477659481e-01 -9.477659481e-01 4.10 -9.203019442e-01 -9.203019442e-01 4.12 -8.935236682e-01 -8.935236682e-01 4.14 -8.674066370e-01 -8.674066370e-01 4.16 -8.419313236e-01 -8.419313236e-01 4.18 -8.170803563e-01 -8.170803563e-01 4.20 -7.928385944e-01 -7.928385944e-01 4.22 -7.691931965e-01 -7.691931965e-01 4.24 -7.461336432e-01 -7.461336432e-01 4.26 -7.236516737e-01 -7.236516737e-01 4.28 -7.017411036e-01 -7.017411036e-01 4.30 -6.803975019e-01 -6.803975019e-01 4.32 -6.596177247e-01 -6.596177247e-01 4.34 -6.393993275e-01 -6.393993275e-01 4.36 -6.197399022e-01 -6.197399022e-01 4.38 -6.006363995e-01 -6.006363995e-01 4.40 -5.820845083e-01 -5.820845083e-01 4.42 -5.640781553e-01 -5.640781553e-01 4.44 -5.466091712e-01 -5.466091712e-01 4.46 -5.296671466e-01 -5.296671466e-01 4.48 -5.132394701e-01 -5.132394701e-01 4.50 -4.973115222e-01 -4.973115222e-01 4.52 -4.818669822e-01 -4.818669822e-01 4.54 -4.668881997e-01 -4.668881997e-01 4.56 -4.523565873e-01 -4.523565873e-01 4.58 -4.382529983e-01 -4.382529983e-01 4.60 -4.245580669e-01 -4.245580669e-01 4.62 -4.112524984e-01 -4.112524984e-01 4.64 -3.983173073e-01 -3.983173073e-01 4.66 -3.857340096e-01 -3.857340096e-01 4.68 -3.734847779e-01 -3.734847779e-01 4.70 -3.615525710e-01 -3.615525710e-01 4.72 -3.499212497e-01 -3.499212497e-01 4.74 -3.385756884e-01 -3.385756884e-01 4.76 -3.275018890e-01 -3.275018890e-01 4.78 -3.166871011e-01 -3.166871011e-01 4.80 -3.061184252e-01 -3.061184252e-01 4.82 -2.957892736e-01 -2.957892736e-01 4.84 -2.856895895e-01 -2.856895895e-01 4.86 -2.758128486e-01 -2.758128486e-01 4.88 -2.661543144e-01 -2.661543144e-01 4.90 -2.567110545e-01 -2.567110545e-01 4.92 -2.474818912e-01 -2.474818912e-01 4.94 -2.384672749e-01 -2.384672749e-01 4.96 -2.296690756e-01 -2.296690756e-01 4.98 -2.210902971e-01 -2.210902971e-01 5.00 -2.127347255e-01 -2.127347255e-01 5.02 -2.046065384e-01 -2.046065384e-01 5.04 -1.967099034e-01 -1.967099034e-01 5.06 -1.890486013e-01 -1.890486013e-01 5.08 -1.816257078e-01 -1.816257078e-01 5.10 -1.744433540e-01 -1.744433540e-01 5.12 -1.675025926e-01 -1.675025926e-01 5.14 -1.608033641e-01 -1.608033641e-01 5.16 -1.543445512e-01 -1.543445512e-01 5.18 -1.481241050e-01 -1.481241050e-01 5.20 -1.421392068e-01 -1.421392068e-01 5.22 -1.363864391e-01 -1.363864391e-01 5.24 -1.308619409e-01 -1.308619409e-01 5.26 -1.255615233e-01 -1.255615233e-01 5.28 -1.204807357e-01 -1.204807357e-01 5.30 -1.156148790e-01 -1.156148790e-01 5.32 -1.109587461e-01 -1.109587461e-01 5.34 -1.065063180e-01 -1.065063180e-01 5.36 -1.022522826e-01 -1.022522826e-01 5.38 -9.819080854e-02 -9.819080854e-02 5.40 -9.431539976e-02 -9.431539976e-02 5.42 -9.061890648e-02 -9.061890648e-02 5.44 -8.709356832e-02 -8.709356832e-02 5.46 -8.373108797e-02 -8.373108797e-02 5.48 -8.052273098e-02 -8.052273098e-02 5.50 -7.745944356e-02 -7.745944356e-02 5.52 -7.453197976e-02 -7.453197976e-02 5.54 -7.173102908e-02 -7.173102908e-02 5.56 -6.904733723e-02 -6.904733723e-02 5.58 -6.647181459e-02 -6.647181459e-02 5.60 -6.399562894e-02 -6.399562894e-02 5.62 -6.161028139e-02 -6.161028139e-02 5.64 -5.930766580e-02 -5.930766580e-02 5.66 -5.708011341e-02 -5.708011341e-02 5.68 -5.492042518e-02 -5.492042518e-02 5.70 -5.282189485e-02 -5.282189485e-02 5.72 -5.077832549e-02 -5.077832549e-02 5.74 -4.878404258e-02 -4.878404258e-02 5.76 -4.683390566e-02 -4.683390566e-02 5.78 -4.492332062e-02 -4.492332062e-02 5.80 -4.304825467e-02 -4.304825467e-02 5.82 -4.120525258e-02 -4.120525258e-02 5.84 -3.939145556e-02 -3.939145556e-02 5.86 -3.760462143e-02 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