# 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 = FeMo2Pt # 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 3.166424284e+02 3.166424284e+02 1.30 2.931836800e+02 2.931836800e+02 1.32 2.714291916e+02 2.714291916e+02 1.34 2.512453195e+02 2.512453195e+02 1.36 2.325171139e+02 2.325171139e+02 1.38 2.151409556e+02 2.151409556e+02 1.40 1.990180987e+02 1.990180987e+02 1.42 1.840519794e+02 1.840519794e+02 1.44 1.701493891e+02 1.701493891e+02 1.46 1.572236592e+02 1.572236592e+02 1.48 1.451972429e+02 1.451972429e+02 1.50 1.340019575e+02 1.340019575e+02 1.52 1.235770972e+02 1.235770972e+02 1.54 1.138669741e+02 1.138669741e+02 1.56 1.048193009e+02 1.048193009e+02 1.58 9.638465258e+01 9.638465258e+01 1.60 8.851642124e+01 8.851642124e+01 1.62 8.117081497e+01 8.117081497e+01 1.64 7.430692178e+01 7.430692178e+01 1.66 6.788700489e+01 6.788700489e+01 1.68 6.187702709e+01 6.187702709e+01 1.70 5.624720714e+01 5.624720714e+01 1.72 5.097229917e+01 5.097229917e+01 1.74 4.603131330e+01 4.603131330e+01 1.76 4.140674048e+01 4.140674048e+01 1.78 3.708710211e+01 3.708710211e+01 1.80 3.308513008e+01 3.308513008e+01 1.82 2.943917197e+01 2.943917197e+01 1.84 2.612444071e+01 2.612444071e+01 1.86 2.311362383e+01 2.311362383e+01 1.88 2.037987715e+01 2.037987715e+01 1.90 1.789731232e+01 1.789731232e+01 1.92 1.564156907e+01 1.564156907e+01 1.94 1.359029153e+01 1.359029153e+01 1.96 1.172338833e+01 1.172338833e+01 1.98 1.002305351e+01 1.002305351e+01 2.00 8.473596005e+00 8.473596005e+00 2.02 7.061155739e+00 7.061155739e+00 2.04 5.773386619e+00 5.773386619e+00 2.06 4.599168411e+00 4.599168411e+00 2.08 3.528380221e+00 3.528380221e+00 2.10 2.551743594e+00 2.551743594e+00 2.12 1.660731324e+00 1.660731324e+00 2.14 8.475331815e-01 8.475331815e-01 2.16 1.050626277e-01 1.050626277e-01 2.18 -5.730214877e-01 -5.730214877e-01 2.20 -1.192308292e+00 -1.192308292e+00 2.22 -1.757664191e+00 -1.757664191e+00 2.24 -2.273301141e+00 -2.273301141e+00 2.26 -2.742871635e+00 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-5.866664117e+00 -5.866664117e+00 2.80 -5.805950723e+00 -5.805950723e+00 2.82 -5.736381954e+00 -5.736381954e+00 2.84 -5.658232646e+00 -5.658232646e+00 2.86 -5.571861453e+00 -5.571861453e+00 2.88 -5.477721384e+00 -5.477721384e+00 2.90 -5.376371078e+00 -5.376371078e+00 2.92 -5.268482854e+00 -5.268482854e+00 2.94 -5.154833265e+00 -5.154833265e+00 2.96 -5.036294554e+00 -5.036294554e+00 2.98 -4.913806015e+00 -4.913806015e+00 3.00 -4.788330707e+00 -4.788330707e+00 3.02 -4.660803818e+00 -4.660803818e+00 3.04 -4.532081090e+00 -4.532081090e+00 3.06 -4.402896334e+00 -4.402896334e+00 3.08 -4.273820667e+00 -4.273820667e+00 3.10 -4.145170998e+00 -4.145170998e+00 3.12 -4.017085894e+00 -4.017085894e+00 3.14 -3.889591921e+00 -3.889591921e+00 3.16 -3.762631931e+00 -3.762631931e+00 3.18 -3.636096433e+00 -3.636096433e+00 3.20 -3.509854241e+00 -3.509854241e+00 3.22 -3.383779799e+00 -3.383779799e+00 3.24 -3.257777115e+00 -3.257777115e+00 3.26 -3.131906832e+00 -3.131906832e+00 3.28 -3.006473366e+00 -3.006473366e+00 3.30 -2.881847143e+00 -2.881847143e+00 3.32 -2.758447080e+00 -2.758447080e+00 3.34 -2.636736340e+00 -2.636736340e+00 3.36 -2.517211692e+00 -2.517211692e+00 3.38 -2.400387779e+00 -2.400387779e+00 3.40 -2.286777716e+00 -2.286777716e+00 3.42 -2.176871706e+00 -2.176871706e+00 3.44 -2.071115532e+00 -2.071115532e+00 3.46 -1.969890931e+00 -1.969890931e+00 3.48 -1.873499714e+00 -1.873499714e+00 3.50 -1.782153084e+00 -1.782153084e+00 3.52 -1.695967006e+00 -1.695967006e+00 3.54 -1.614963680e+00 -1.614963680e+00 3.56 -1.539078441e+00 -1.539078441e+00 3.58 -1.468170860e+00 -1.468170860e+00 3.60 -1.402038517e+00 -1.402038517e+00 3.62 -1.340431885e+00 -1.340431885e+00 3.64 -1.283068985e+00 -1.283068985e+00 3.66 -1.229648794e+00 -1.229648794e+00 3.68 -1.179862754e+00 -1.179862754e+00 3.70 -1.133404089e+00 -1.133404089e+00 3.72 -1.089974901e+00 -1.089974901e+00 3.74 -1.049291207e+00 -1.049291207e+00 3.76 -1.011086190e+00 -1.011086190e+00 3.78 -9.751119884e-01 -9.751119884e-01 3.80 -9.411403414e-01 -9.411403414e-01 3.82 -9.089623965e-01 -9.089623965e-01 3.84 -8.783879422e-01 -8.783879422e-01 3.86 -8.492442879e-01 -8.492442879e-01 3.88 -8.213749724e-01 -8.213749724e-01 3.90 -7.946384492e-01 -7.946384492e-01 3.92 -7.689068611e-01 -7.689068611e-01 3.94 -7.440650036e-01 -7.440650036e-01 3.96 -7.200095215e-01 -7.200095215e-01 3.98 -6.966484115e-01 -6.966484115e-01 4.00 -6.739008575e-01 -6.739008575e-01 4.02 -6.516973452e-01 -6.516973452e-01 4.04 -6.299800611e-01 -6.299800611e-01 4.06 -6.087038240e-01 -6.087038240e-01 4.08 -5.878364663e-01 -5.878364663e-01 4.10 -5.673582609e-01 -5.673582609e-01 4.12 -5.472634626e-01 -5.472634626e-01 4.14 -5.275598134e-01 -5.275598134e-01 4.16 -5.082673466e-01 -5.082673466e-01 4.18 -4.894163460e-01 -4.894163460e-01 4.20 -4.710444735e-01 -4.710444735e-01 4.22 -4.531932064e-01 -4.531932064e-01 4.24 -4.359038755e-01 -4.359038755e-01 4.26 -4.192137020e-01 -4.192137020e-01 4.28 -4.031522591e-01 -4.031522591e-01 4.30 -3.877387318e-01 -3.877387318e-01 4.32 -3.729802177e-01 -3.729802177e-01 4.34 -3.588711492e-01 -3.588711492e-01 4.36 -3.453937495e-01 -3.453937495e-01 4.38 -3.325193154e-01 -3.325193154e-01 4.40 -3.202100499e-01 -3.202100499e-01 4.42 -3.084211625e-01 -3.084211625e-01 4.44 -2.971029961e-01 -2.971029961e-01 4.46 -2.862030043e-01 -2.862030043e-01 4.48 -2.756674715e-01 -2.756674715e-01 4.50 -2.654429522e-01 -2.654429522e-01 4.52 -2.554774052e-01 -2.554774052e-01 4.54 -2.457207268e-01 -2.457207268e-01 4.56 -2.361266449e-01 -2.361266449e-01 4.58 -2.266527398e-01 -2.266527398e-01 4.60 -2.172608516e-01 -2.172608516e-01 4.62 -2.079178235e-01 -2.079178235e-01 4.64 -1.985962456e-01 -1.985962456e-01 4.66 -1.892752166e-01 -1.892752166e-01 4.68 -1.799411130e-01 -1.799411130e-01 4.70 -1.705883211e-01 -1.705883211e-01 4.72 -1.612198607e-01 -1.612198607e-01 4.74 -1.518478074e-01 -1.518478074e-01 4.76 -1.424934094e-01 -1.424934094e-01 4.78 -1.331867972e-01 -1.331867972e-01 4.80 -1.239662061e-01 -1.239662061e-01 4.82 -1.148766760e-01 -1.148766760e-01 4.84 -1.059682379e-01 -1.059682379e-01 4.86 -9.729368146e-02 -9.729368146e-02 4.88 -8.890604109e-02 -8.890604109e-02 4.90 -8.085600212e-02 -8.085600212e-02 4.92 -7.318944305e-02 -7.318944305e-02 4.94 -6.594532509e-02 -6.594532509e-02 4.96 -5.915409826e-02 -5.915409826e-02 4.98 -5.283672938e-02 -5.283672938e-02 5.00 -4.700437964e-02 -4.700437964e-02 5.02 -4.165870217e-02 -4.165870217e-02 5.04 -3.679264174e-02 -3.679264174e-02 5.06 -3.239160185e-02 -3.239160185e-02 5.08 -2.843483794e-02 -2.843483794e-02 5.10 -2.489693577e-02 -2.489693577e-02 5.12 -2.174928010e-02 -2.174928010e-02 5.14 -1.896138076e-02 -1.896138076e-02 5.16 -1.650194679e-02 -1.650194679e-02 5.18 -1.433953930e-02 -1.433953930e-02 5.20 -1.244439566e-02 -1.244439566e-02 5.22 -1.078820687e-02 -1.078820687e-02 5.24 -9.344372058e-03 -9.344372058e-03 5.26 -8.088272058e-03 -8.088272058e-03 5.28 -6.997403701e-03 -6.997403701e-03 5.30 -6.051408848e-03 -6.051408848e-03 5.32 -5.232027368e-03 -5.232027368e-03 5.34 -4.522998169e-03 -4.522998169e-03 5.36 -3.909927357e-03 -3.909927357e-03 5.38 -3.380138182e-03 -3.380138182e-03 5.40 -2.922513564e-03 -2.922513564e-03 5.42 -2.527338939e-03 -2.527338939e-03 5.44 -2.186150642e-03 -2.186150642e-03 5.46 -1.891593196e-03 -1.891593196e-03 5.48 -1.637287415e-03 -1.637287415e-03 5.50 -1.417710249e-03 -1.417710249e-03 5.52 -1.228086533e-03 -1.228086533e-03 5.54 -1.064292350e-03 -1.064292350e-03 5.56 -9.227693791e-04 -9.227693791e-04 5.58 -8.004494425e-04 -8.004494425e-04 5.60 -6.946883538e-04 -6.946883538e-04 5.62 -6.032081617e-04 -6.032081617e-04 5.64 -5.240468880e-04 -5.240468880e-04 5.66 -4.555149086e-04 -4.555149086e-04 5.68 -3.961571855e-04 -3.961571855e-04 5.70 -3.447206250e-04 -3.447206250e-04 5.72 -3.001259099e-04 -3.001259099e-04 5.74 -2.614432208e-04 -2.614432208e-04 5.76 -2.278713310e-04 -2.278713310e-04 5.78 -1.987196192e-04 -1.987196192e-04 5.80 -1.733926019e-04 -1.733926019e-04 5.82 -1.513766379e-04 -1.513766379e-04 5.84 -1.322285038e-04 -1.322285038e-04 5.86 -1.155655776e-04 -1.155655776e-04 5.88 -1.010574054e-04 -1.010574054e-04 5.90 -8.841845667e-05 -8.841845667e-05 5.92 -7.740189865e-05 -7.740189865e-05 5.94 -6.779424666e-05 -6.779424666e-05 5.96 -5.941076584e-05 -5.941076584e-05 5.98 -5.209151764e-05 -5.209151764e-05 6.00 -4.569795967e-05 -4.569795967e-05