# 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 = Pb2PtZr # 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 5.054831399e+02 5.054831399e+02 1.30 4.739690393e+02 4.739690393e+02 1.32 4.445382576e+02 4.445382576e+02 1.34 4.170364045e+02 4.170364045e+02 1.36 3.913246100e+02 3.913246100e+02 1.38 3.672732224e+02 3.672732224e+02 1.40 3.447589776e+02 3.447589776e+02 1.42 3.236671927e+02 3.236671927e+02 1.44 3.038943563e+02 3.038943563e+02 1.46 2.853478097e+02 2.853478097e+02 1.48 2.679434616e+02 2.679434616e+02 1.50 2.516040119e+02 2.516040119e+02 1.52 2.362577219e+02 2.362577219e+02 1.54 2.218373081e+02 2.218373081e+02 1.56 2.082789144e+02 2.082789144e+02 1.58 1.955219139e+02 1.955219139e+02 1.60 1.835096801e+02 1.835096801e+02 1.62 1.721906751e+02 1.721906751e+02 1.64 1.615189230e+02 1.615189230e+02 1.66 1.514535444e+02 1.514535444e+02 1.68 1.419579096e+02 1.419579096e+02 1.70 1.329986616e+02 1.329986616e+02 1.72 1.245451025e+02 1.245451025e+02 1.74 1.165684937e+02 1.165684937e+02 1.76 1.090413364e+02 1.090413364e+02 1.78 1.019368869e+02 1.019368869e+02 1.80 9.522923822e+01 9.522923822e+01 1.82 8.889368478e+01 8.889368478e+01 1.84 8.290723194e+01 8.290723194e+01 1.86 7.724881797e+01 7.724881797e+01 1.88 7.190247316e+01 7.190247316e+01 1.90 6.689117023e+01 6.689117023e+01 1.92 6.220963420e+01 6.220963420e+01 1.94 5.783483258e+01 5.783483258e+01 1.96 5.374528414e+01 5.374528414e+01 1.98 4.992141605e+01 4.992141605e+01 2.00 4.634525565e+01 4.634525565e+01 2.02 4.300019680e+01 4.300019680e+01 2.04 3.987086638e+01 3.987086638e+01 2.06 3.694304843e+01 3.694304843e+01 2.08 3.420363930e+01 3.420363930e+01 2.10 3.164055276e+01 3.164055276e+01 2.12 2.924261645e+01 2.924261645e+01 2.14 2.699944205e+01 2.699944205e+01 2.16 2.490129603e+01 2.490129603e+01 2.18 2.293901102e+01 2.293901102e+01 2.20 2.110394936e+01 2.110394936e+01 2.22 1.938799379e+01 1.938799379e+01 2.24 1.778354887e+01 1.778354887e+01 2.26 1.628353348e+01 1.628353348e+01 2.28 1.488137807e+01 1.488137807e+01 2.30 1.357097251e+01 1.357097251e+01 2.32 1.234664808e+01 1.234664808e+01 2.34 1.120310485e+01 1.120310485e+01 2.36 1.013536784e+01 1.013536784e+01 2.38 9.138735105e+00 9.138735105e+00 2.40 8.208742458e+00 8.208742458e+00 2.42 7.341142842e+00 7.341142842e+00 2.44 6.531908104e+00 6.531908104e+00 2.46 5.777240400e+00 5.777240400e+00 2.48 5.073593120e+00 5.073593120e+00 2.50 4.417686630e+00 4.417686630e+00 2.52 3.806508464e+00 3.806508464e+00 2.54 3.237293053e+00 3.237293053e+00 2.56 2.707485463e+00 2.707485463e+00 2.58 2.214700887e+00 2.214700887e+00 2.60 1.756691844e+00 1.756691844e+00 2.62 1.331329186e+00 1.331329186e+00 2.64 9.365944334e-01 9.365944334e-01 2.66 5.705383537e-01 5.705383537e-01 2.68 2.313617691e-01 2.313617691e-01 2.70 -8.322935598e-02 -8.322935598e-02 2.72 -3.753108897e-01 -3.753108897e-01 2.74 -6.460412849e-01 -6.460412849e-01 2.76 -8.965316049e-01 -8.965316049e-01 2.78 -1.127840626e+00 -1.127840626e+00 2.80 -1.340977898e+00 -1.340977898e+00 2.82 -1.536894352e+00 -1.536894352e+00 2.84 -1.716450277e+00 -1.716450277e+00 2.86 -1.880386887e+00 -1.880386887e+00 2.88 -2.029427008e+00 -2.029427008e+00 2.90 -2.164295283e+00 -2.164295283e+00 2.92 -2.285725732e+00 -2.285725732e+00 2.94 -2.394467231e+00 -2.394467231e+00 2.96 -2.491284383e+00 -2.491284383e+00 2.98 -2.576952033e+00 -2.576952033e+00 3.00 -2.652243339e+00 -2.652243339e+00 3.02 -2.717913491e+00 -2.717913491e+00 3.04 -2.774680113e+00 -2.774680113e+00 3.06 -2.823221741e+00 -2.823221741e+00 3.08 -2.864152640e+00 -2.864152640e+00 3.10 -2.898036766e+00 -2.898036766e+00 3.12 -2.925388790e+00 -2.925388790e+00 3.14 -2.946691004e+00 -2.946691004e+00 3.16 -2.962389635e+00 -2.962389635e+00 3.18 -2.972909234e+00 -2.972909234e+00 3.20 -2.978652260e+00 -2.978652260e+00 3.22 -2.979997952e+00 -2.979997952e+00 3.24 -2.977299896e+00 -2.977299896e+00 3.26 -2.970884185e+00 -2.970884185e+00 3.28 -2.961049369e+00 -2.961049369e+00 3.30 -2.948068323e+00 -2.948068323e+00 3.32 -2.932191298e+00 -2.932191298e+00 3.34 -2.913649147e+00 -2.913649147e+00 3.36 -2.892655952e+00 -2.892655952e+00 3.38 -2.869410850e+00 -2.869410850e+00 3.40 -2.844098233e+00 -2.844098233e+00 3.42 -2.816892857e+00 -2.816892857e+00 3.44 -2.787954103e+00 -2.787954103e+00 3.46 -2.757431610e+00 -2.757431610e+00 3.48 -2.725464889e+00 -2.725464889e+00 3.50 -2.692184065e+00 -2.692184065e+00 3.52 -2.657710424e+00 -2.657710424e+00 3.54 -2.622156777e+00 -2.622156777e+00 3.56 -2.585627731e+00 -2.585627731e+00 3.58 -2.548224672e+00 -2.548224672e+00 3.60 -2.510073920e+00 -2.510073920e+00 3.62 -2.471340699e+00 -2.471340699e+00 3.64 -2.432143034e+00 -2.432143034e+00 3.66 -2.392539102e+00 -2.392539102e+00 3.68 -2.352583653e+00 -2.352583653e+00 3.70 -2.312329022e+00 -2.312329022e+00 3.72 -2.271826262e+00 -2.271826262e+00 3.74 -2.231126289e+00 -2.231126289e+00 3.76 -2.190280970e+00 -2.190280970e+00 3.78 -2.149344055e+00 -2.149344055e+00 3.80 -2.108371729e+00 -2.108371729e+00 3.82 -2.067420530e+00 -2.067420530e+00 3.84 -2.026539989e+00 -2.026539989e+00 3.86 -1.985780634e+00 -1.985780634e+00 3.88 -1.945194824e+00 -1.945194824e+00 3.90 -1.904833865e+00 -1.904833865e+00 3.92 -1.864743225e+00 -1.864743225e+00 3.94 -1.824967222e+00 -1.824967222e+00 3.96 -1.785535337e+00 -1.785535337e+00 3.98 -1.746469760e+00 -1.746469760e+00 4.00 -1.707783703e+00 -1.707783703e+00 4.02 -1.669483137e+00 -1.669483137e+00 4.04 -1.631569423e+00 -1.631569423e+00 4.06 -1.594042400e+00 -1.594042400e+00 4.08 -1.556903545e+00 -1.556903545e+00 4.10 -1.520153679e+00 -1.520153679e+00 4.12 -1.483816463e+00 -1.483816463e+00 4.14 -1.447906109e+00 -1.447906109e+00 4.16 -1.412451167e+00 -1.412451167e+00 4.18 -1.377487410e+00 -1.377487410e+00 4.20 -1.343055924e+00 -1.343055924e+00 4.22 -1.309200366e+00 -1.309200366e+00 4.24 -1.275963721e+00 -1.275963721e+00 4.26 -1.243384949e+00 -1.243384949e+00 4.28 -1.211495974e+00 -1.211495974e+00 4.30 -1.180319344e+00 -1.180319344e+00 4.32 -1.149866827e+00 -1.149866827e+00 4.34 -1.120139001e+00 -1.120139001e+00 4.36 -1.091125761e+00 -1.091125761e+00 4.38 -1.062807558e+00 -1.062807558e+00 4.40 -1.035157098e+00 -1.035157098e+00 4.42 -1.008141239e+00 -1.008141239e+00 4.44 -9.817228639e-01 -9.817228639e-01 4.46 -9.558625753e-01 -9.558625753e-01 4.48 -9.305201037e-01 -9.305201037e-01 4.50 -9.056554230e-01 -9.056554230e-01 4.52 -8.812295858e-01 -8.812295858e-01 4.54 -8.572053376e-01 -8.572053376e-01 4.56 -8.335475804e-01 -8.335475804e-01 4.58 -8.102237618e-01 -8.102237618e-01 4.60 -7.872042555e-01 -7.872042555e-01 4.62 -7.644627882e-01 -7.644627882e-01 4.64 -7.419769475e-01 -7.419769475e-01 4.66 -7.197287816e-01 -7.197287816e-01 4.68 -6.977054801e-01 -6.977054801e-01 4.70 -6.759000929e-01 -6.759000929e-01 4.72 -6.543122245e-01 -6.543122245e-01 4.74 -6.329486146e-01 -6.329486146e-01 4.76 -6.118235026e-01 -6.118235026e-01 4.78 -5.909586717e-01 -5.909586717e-01 4.80 -5.703787351e-01 -5.703787351e-01 4.82 -5.501283867e-01 -5.501283867e-01 4.84 -5.302427418e-01 -5.302427418e-01 4.86 -5.107653531e-01 -5.107653531e-01 4.88 -4.917409107e-01 -4.917409107e-01 4.90 -4.732129788e-01 -4.732129788e-01 4.92 -4.552217617e-01 -4.552217617e-01 4.94 -4.378020951e-01 -4.378020951e-01 4.96 -4.209818397e-01 -4.209818397e-01 4.98 -4.047807991e-01 -4.047807991e-01 5.00 -3.892102191e-01 -3.892102191e-01 5.02 -3.742728579e-01 -3.742728579e-01 5.04 -3.599635597e-01 -3.599635597e-01 5.06 -3.462702181e-01 -3.462702181e-01 5.08 -3.331750019e-01 -3.331750019e-01 5.10 -3.206557084e-01 -3.206557084e-01 5.12 -3.086871287e-01 -3.086871287e-01 5.14 -2.972423279e-01 -2.972423279e-01 5.16 -2.862937742e-01 -2.862937742e-01 5.18 -2.758142734e-01 -2.758142734e-01 5.20 -2.657776902e-01 -2.657776902e-01 5.22 -2.561594564e-01 -2.561594564e-01 5.24 -2.469368781e-01 -2.469368781e-01 5.26 -2.380892661e-01 -2.380892661e-01 5.28 -2.295979192e-01 -2.295979192e-01 5.30 -2.214459931e-01 -2.214459931e-01 5.32 -2.136182902e-01 -2.136182902e-01 5.34 -2.061010024e-01 -2.061010024e-01 5.36 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