# 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 = AgAu2Zr # 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 3.841807854e+02 3.841807854e+02 1.30 3.572328089e+02 3.572328089e+02 1.32 3.322368208e+02 3.322368208e+02 1.34 3.090369605e+02 3.090369605e+02 1.36 2.874909145e+02 2.874909145e+02 1.38 2.674691038e+02 2.674691038e+02 1.40 2.488536860e+02 2.488536860e+02 1.42 2.315377263e+02 2.315377263e+02 1.44 2.154244414e+02 2.154244414e+02 1.46 2.004257063e+02 2.004257063e+02 1.48 1.864601437e+02 1.864601437e+02 1.50 1.734520725e+02 1.734520725e+02 1.52 1.613315051e+02 1.613315051e+02 1.54 1.500341052e+02 1.500341052e+02 1.56 1.395006352e+02 1.395006352e+02 1.58 1.296759780e+02 1.296759780e+02 1.60 1.205085047e+02 1.205085047e+02 1.62 1.119499573e+02 1.119499573e+02 1.64 1.039557045e+02 1.039557045e+02 1.66 9.648484406e+01 9.648484406e+01 1.68 8.950007773e+01 8.950007773e+01 1.70 8.296734363e+01 8.296734363e+01 1.72 7.685535355e+01 7.685535355e+01 1.74 7.113519370e+01 7.113519370e+01 1.76 6.578009016e+01 6.578009016e+01 1.78 6.076526488e+01 6.076526488e+01 1.80 5.606780819e+01 5.606780819e+01 1.82 5.166650518e+01 5.166650518e+01 1.84 4.754219491e+01 4.754219491e+01 1.86 4.368451120e+01 4.368451120e+01 1.88 4.009241447e+01 4.009241447e+01 1.90 3.674989442e+01 3.674989442e+01 1.92 3.364055874e+01 3.364055874e+01 1.94 3.074888675e+01 3.074888675e+01 1.96 2.806030775e+01 2.806030775e+01 1.98 2.556111686e+01 2.556111686e+01 2.00 2.323842998e+01 2.323842998e+01 2.02 2.108015996e+01 2.108015996e+01 2.04 1.907500910e+01 1.907500910e+01 2.06 1.721246019e+01 1.721246019e+01 2.08 1.548275078e+01 1.548275078e+01 2.10 1.387684546e+01 1.387684546e+01 2.12 1.238636218e+01 1.238636218e+01 2.14 1.100350219e+01 1.100350219e+01 2.16 9.720969500e+00 9.720969500e+00 2.18 8.531907434e+00 8.531907434e+00 2.20 7.429874044e+00 7.429874044e+00 2.22 6.408828708e+00 6.408828708e+00 2.24 5.463135253e+00 5.463135253e+00 2.26 4.587567479e+00 4.587567479e+00 2.28 3.777303147e+00 3.777303147e+00 2.30 3.027922608e+00 3.027922608e+00 2.32 2.335382610e+00 2.335382610e+00 2.34 1.695967623e+00 1.695967623e+00 2.36 1.106251719e+00 1.106251719e+00 2.38 5.630504987e-01 5.630504987e-01 2.40 6.338261747e-02 6.338261747e-02 2.42 -3.955633109e-01 -3.955633109e-01 2.44 -8.164449269e-01 -8.164449269e-01 2.46 -1.201781539e+00 -1.201781539e+00 2.48 -1.553958811e+00 -1.553958811e+00 2.50 -1.875232354e+00 -1.875232354e+00 2.52 -2.167733834e+00 -2.167733834e+00 2.54 -2.433481328e+00 -2.433481328e+00 2.56 -2.674391934e+00 -2.674391934e+00 2.58 -2.892354123e+00 -2.892354123e+00 2.60 -3.089076297e+00 -3.089076297e+00 2.62 -3.266119299e+00 -3.266119299e+00 2.64 -3.424960791e+00 -3.424960791e+00 2.66 -3.566979381e+00 -3.566979381e+00 2.68 -3.693444975e+00 -3.693444975e+00 2.70 -3.805516016e+00 -3.805516016e+00 2.72 -3.904232361e+00 -3.904232361e+00 2.74 -3.990412210e+00 -3.990412210e+00 2.76 -4.064752040e+00 -4.064752040e+00 2.78 -4.127922544e+00 -4.127922544e+00 2.80 -4.180576199e+00 -4.180576199e+00 2.82 -4.223335392e+00 -4.223335392e+00 2.84 -4.256799468e+00 -4.256799468e+00 2.86 -4.281542682e+00 -4.281542682e+00 2.88 -4.298115301e+00 -4.298115301e+00 2.90 -4.307045557e+00 -4.307045557e+00 2.92 -4.308843848e+00 -4.308843848e+00 2.94 -4.304118533e+00 -4.304118533e+00 2.96 -4.293322195e+00 -4.293322195e+00 2.98 -4.276809198e+00 -4.276809198e+00 3.00 -4.254950302e+00 -4.254950302e+00 3.02 -4.228130320e+00 -4.228130320e+00 3.04 -4.196742740e+00 -4.196742740e+00 3.06 -4.161191663e+00 -4.161191663e+00 3.08 -4.121872755e+00 -4.121872755e+00 3.10 -4.079188790e+00 -4.079188790e+00 3.12 -4.033587768e+00 -4.033587768e+00 3.14 -3.985333056e+00 -3.985333056e+00 3.16 -3.934641768e+00 -3.934641768e+00 3.18 -3.881723578e+00 -3.881723578e+00 3.20 -3.826777394e+00 -3.826777394e+00 3.22 -3.769992566e+00 -3.769992566e+00 3.24 -3.711551938e+00 -3.711551938e+00 3.26 -3.651635742e+00 -3.651635742e+00 3.28 -3.590426795e+00 -3.590426795e+00 3.30 -3.528116077e+00 -3.528116077e+00 3.32 -3.464896410e+00 -3.464896410e+00 3.34 -3.400958318e+00 -3.400958318e+00 3.36 -3.336485548e+00 -3.336485548e+00 3.38 -3.271650223e+00 -3.271650223e+00 3.40 -3.206608031e+00 -3.206608031e+00 3.42 -3.141500579e+00 -3.141500579e+00 3.44 -3.076448830e+00 -3.076448830e+00 3.46 -3.011559534e+00 -3.011559534e+00 3.48 -2.946926292e+00 -2.946926292e+00 3.50 -2.882631890e+00 -2.882631890e+00 3.52 -2.818750167e+00 -2.818750167e+00 3.54 -2.755347262e+00 -2.755347262e+00 3.56 -2.692482283e+00 -2.692482283e+00 3.58 -2.630207567e+00 -2.630207567e+00 3.60 -2.568568709e+00 -2.568568709e+00 3.62 -2.507604538e+00 -2.507604538e+00 3.64 -2.447347180e+00 -2.447347180e+00 3.66 -2.387822311e+00 -2.387822311e+00 3.68 -2.329049688e+00 -2.329049688e+00 3.70 -2.271044008e+00 -2.271044008e+00 3.72 -2.213816117e+00 -2.213816117e+00 3.74 -2.157374564e+00 -2.157374564e+00 3.76 -2.101727401e+00 -2.101727401e+00 3.78 -2.046884093e+00 -2.046884093e+00 3.80 -1.992857295e+00 -1.992857295e+00 3.82 -1.939664184e+00 -1.939664184e+00 3.84 -1.887327045e+00 -1.887327045e+00 3.86 -1.835872841e+00 -1.835872841e+00 3.88 -1.785331702e+00 -1.785331702e+00 3.90 -1.735734468e+00 -1.735734468e+00 3.92 -1.687108383e+00 -1.687108383e+00 3.94 -1.639479616e+00 -1.639479616e+00 3.96 -1.592862149e+00 -1.592862149e+00 3.98 -1.547262487e+00 -1.547262487e+00 4.00 -1.502677758e+00 -1.502677758e+00 4.02 -1.459096492e+00 -1.459096492e+00 4.04 -1.416500187e+00 -1.416500187e+00 4.06 -1.374865298e+00 -1.374865298e+00 4.08 -1.334165358e+00 -1.334165358e+00 4.10 -1.294369074e+00 -1.294369074e+00 4.12 -1.255458433e+00 -1.255458433e+00 4.14 -1.217404439e+00 -1.217404439e+00 4.16 -1.180186463e+00 -1.180186463e+00 4.18 -1.143788372e+00 -1.143788372e+00 4.20 -1.108199213e+00 -1.108199213e+00 4.22 -1.073413601e+00 -1.073413601e+00 4.24 -1.039431777e+00 -1.039431777e+00 4.26 -1.006259273e+00 -1.006259273e+00 4.28 -9.739061556e-01 -9.739061556e-01 4.30 -9.423858388e-01 -9.423858388e-01 4.32 -9.117135225e-01 -9.117135225e-01 4.34 -8.819043576e-01 -8.819043576e-01 4.36 -8.529715073e-01 -8.529715073e-01 4.38 -8.249242962e-01 -8.249242962e-01 4.40 -7.977666412e-01 -7.977666412e-01 4.42 -7.714959196e-01 -7.714959196e-01 4.44 -7.461023701e-01 -7.461023701e-01 4.46 -7.215690418e-01 -7.215690418e-01 4.48 -6.978722401e-01 -6.978722401e-01 4.50 -6.749823601e-01 -6.749823601e-01 4.52 -6.528649732e-01 -6.528649732e-01 4.54 -6.314820329e-01 -6.314820329e-01 4.56 -6.107930804e-01 -6.107930804e-01 4.58 -5.907563662e-01 -5.907563662e-01 4.60 -5.713298364e-01 -5.713298364e-01 4.62 -5.524719642e-01 -5.524719642e-01 4.64 -5.341424316e-01 -5.341424316e-01 4.66 -5.163026839e-01 -5.163026839e-01 4.68 -4.989163878e-01 -4.989163878e-01 4.70 -4.819498250e-01 -4.819498250e-01 4.72 -4.653722514e-01 -4.653722514e-01 4.74 -4.491562444e-01 -4.491562444e-01 4.76 -4.332780515e-01 -4.332780515e-01 4.78 -4.177179427e-01 -4.177179427e-01 4.80 -4.024574319e-01 -4.024574319e-01 4.82 -3.874926171e-01 -3.874926171e-01 4.84 -3.728140151e-01 -3.728140151e-01 4.86 -3.584209929e-01 -3.584209929e-01 4.88 -3.443180042e-01 -3.443180042e-01 4.90 -3.305143926e-01 -3.305143926e-01 4.92 -3.170239606e-01 -3.170239606e-01 4.94 -3.038642846e-01 -3.038642846e-01 4.96 -2.910557785e-01 -2.910557785e-01 4.98 -2.786205381e-01 -2.786205381e-01 5.00 -2.665810286e-01 -2.665810286e-01 5.02 -2.549587033e-01 -2.549587033e-01 5.04 -2.437726563e-01 -2.437726563e-01 5.06 -2.330384169e-01 -2.330384169e-01 5.08 -2.227669810e-01 -2.227669810e-01 5.10 -2.129641497e-01 -2.129641497e-01 5.12 -2.036302130e-01 -2.036302130e-01 5.14 -1.947599785e-01 -1.947599785e-01 5.16 -1.863431161e-01 -1.863431161e-01 5.18 -1.783647580e-01 -1.783647580e-01 5.20 -1.708062683e-01 -1.708062683e-01 5.22 -1.636459576e-01 -1.636459576e-01 5.24 -1.568604951e-01 -1.568604951e-01 5.26 -1.504255660e-01 -1.504255660e-01 5.28 -1.443166024e-01 -1.443166024e-01 5.30 -1.385095408e-01 -1.385095408e-01 5.32 -1.329814519e-01 -1.329814519e-01 5.34 -1.277110368e-01 -1.277110368e-01 5.36 -1.226789865e-01 -1.226789865e-01 5.38 -1.178682084e-01 -1.178682084e-01 5.40 -1.132639248e-01 -1.132639248e-01 5.42 -1.088536506e-01 -1.088536506e-01 5.44 -1.046270607e-01 -1.046270607e-01 5.46 -1.005757612e-01 -1.005757612e-01 5.48 -9.669298489e-02 -9.669298489e-02 5.50 -9.297323038e-02 -9.297323038e-02 5.52 -8.941187820e-02 -8.941187820e-02 5.54 -8.600481049e-02 -8.600481049e-02 5.56 -8.274806280e-02 -8.274806280e-02 5.58 -7.963753229e-02 -7.963753229e-02 5.60 -7.666872663e-02 -7.666872663e-02 5.62 -7.383650196e-02 -7.383650196e-02 5.64 -7.113544050e-02 -7.113544050e-02 5.66 -6.855958733e-02 -6.855958733e-02 5.68 -6.610246064e-02 -6.610246064e-02 5.70 -6.375716474e-02 -6.375716474e-02 5.72 -6.151652158e-02 -6.151652158e-02 5.74 -5.937320536e-02 -5.937320536e-02 5.76 -5.731986843e-02 -5.731986843e-02 5.78 -5.534925078e-02 -5.534925078e-02 5.80 -5.345426895e-02 -5.345426895e-02 5.82 -5.162808362e-02 -5.162808362e-02 5.84 -4.986414690e-02 -4.986414690e-02 5.86 -4.815623258e-02 -4.815623258e-02 5.88 -4.649845258e-02 -4.649845258e-02 5.90 -4.488526391e-02 -4.488526391e-02 5.92 -4.331146974e-02 -4.331146974e-02 5.94 -4.177221834e-02 -4.177221834e-02 5.96 -4.026300285e-02 -4.026300285e-02 5.98 -3.877966462e-02 -3.877966462e-02 6.00 -3.731840200e-02 -3.731840200e-02