# 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 = AlFe2Pd # 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 1.863519890e+02 1.863519890e+02 1.30 1.713628224e+02 1.713628224e+02 1.32 1.575464957e+02 1.575464957e+02 1.34 1.448084340e+02 1.448084340e+02 1.36 1.330620028e+02 1.330620028e+02 1.38 1.222265369e+02 1.222265369e+02 1.40 1.122270759e+02 1.122270759e+02 1.42 1.029949637e+02 1.029949637e+02 1.44 9.446835538e+01 9.446835538e+01 1.46 8.659189616e+01 8.659189616e+01 1.48 7.931561721e+01 7.931561721e+01 1.50 7.259380023e+01 7.259380023e+01 1.52 6.638421102e+01 6.638421102e+01 1.54 6.064748555e+01 6.064748555e+01 1.56 5.534655567e+01 5.534655567e+01 1.58 5.044630673e+01 5.044630673e+01 1.60 4.591358595e+01 4.591358595e+01 1.62 4.171731987e+01 4.171731987e+01 1.64 3.783366717e+01 3.783366717e+01 1.66 3.425352641e+01 3.425352641e+01 1.68 3.095645371e+01 3.095645371e+01 1.70 2.792178167e+01 2.792178167e+01 1.72 2.513052068e+01 2.513052068e+01 1.74 2.256542848e+01 2.256542848e+01 1.76 2.021034425e+01 2.021034425e+01 1.78 1.804977607e+01 1.804977607e+01 1.80 1.606881746e+01 1.606881746e+01 1.82 1.425328260e+01 1.425328260e+01 1.84 1.258988698e+01 1.258988698e+01 1.86 1.106635660e+01 1.106635660e+01 1.88 9.671434668e+00 9.671434668e+00 1.90 8.394803453e+00 8.394803453e+00 1.92 7.226947475e+00 7.226947475e+00 1.94 6.158984560e+00 6.158984560e+00 1.96 5.182505874e+00 5.182505874e+00 1.98 4.289484244e+00 4.289484244e+00 2.00 3.472296239e+00 3.472296239e+00 2.02 2.723846670e+00 2.723846670e+00 2.04 2.037723195e+00 2.037723195e+00 2.06 1.408295946e+00 1.408295946e+00 2.08 8.307187028e-01 8.307187028e-01 2.10 3.008432519e-01 3.008432519e-01 2.12 -1.849115393e-01 -1.849115393e-01 2.14 -6.296948787e-01 -6.296948787e-01 2.16 -1.036337144e+00 -1.036337144e+00 2.18 -1.407430249e+00 -1.407430249e+00 2.20 -1.745376114e+00 -1.745376114e+00 2.22 -2.052411191e+00 -2.052411191e+00 2.24 -2.330617218e+00 -2.330617218e+00 2.26 -2.581926649e+00 -2.581926649e+00 2.28 -2.808127710e+00 -2.808127710e+00 2.30 -3.010871053e+00 -3.010871053e+00 2.32 -3.191678854e+00 -3.191678854e+00 2.34 -3.351956538e+00 -3.351956538e+00 2.36 -3.493007448e+00 -3.493007448e+00 2.38 -3.616050186e+00 -3.616050186e+00 2.40 -3.722238244e+00 -3.722238244e+00 2.42 -3.812681128e+00 -3.812681128e+00 2.44 -3.888465438e+00 -3.888465438e+00 2.46 -3.950673048e+00 -3.950673048e+00 2.48 -4.000392264e+00 -4.000392264e+00 2.50 -4.038718331e+00 -4.038718331e+00 2.52 -4.066782769e+00 -4.066782769e+00 2.54 -4.086017833e+00 -4.086017833e+00 2.56 -4.097562312e+00 -4.097562312e+00 2.58 -4.102895971e+00 -4.102895971e+00 2.60 -4.102465631e+00 -4.102465631e+00 2.62 -4.096649077e+00 -4.096649077e+00 2.64 -4.085834713e+00 -4.085834713e+00 2.66 -4.070386716e+00 -4.070386716e+00 2.68 -4.050628343e+00 -4.050628343e+00 2.70 -4.026852717e+00 -4.026852717e+00 2.72 -3.999108966e+00 -3.999108966e+00 2.74 -3.967287940e+00 -3.967287940e+00 2.76 -3.931318929e+00 -3.931318929e+00 2.78 -3.891179964e+00 -3.891179964e+00 2.80 -3.846902889e+00 -3.846902889e+00 2.82 -3.798576821e+00 -3.798576821e+00 2.84 -3.746348814e+00 -3.746348814e+00 2.86 -3.690420824e+00 -3.690420824e+00 2.88 -3.631042661e+00 -3.631042661e+00 2.90 -3.568501239e+00 -3.568501239e+00 2.92 -3.503107235e+00 -3.503107235e+00 2.94 -3.435181026e+00 -3.435181026e+00 2.96 -3.365040222e+00 -3.365040222e+00 2.98 -3.292990916e+00 -3.292990916e+00 3.00 -3.219323761e+00 -3.219323761e+00 3.02 -3.144314395e+00 -3.144314395e+00 3.04 -3.068226234e+00 -3.068226234e+00 3.06 -2.991313120e+00 -2.991313120e+00 3.08 -2.913819784e+00 -2.913819784e+00 3.10 -2.835979991e+00 -2.835979991e+00 3.12 -2.758013634e+00 -2.758013634e+00 3.14 -2.680125081e+00 -2.680125081e+00 3.16 -2.602504461e+00 -2.602504461e+00 3.18 -2.525332504e+00 -2.525332504e+00 3.20 -2.448787732e+00 -2.448787732e+00 3.22 -2.373053974e+00 -2.373053974e+00 3.24 -2.298325905e+00 -2.298325905e+00 3.26 -2.224810857e+00 -2.224810857e+00 3.28 -2.152726128e+00 -2.152726128e+00 3.30 -2.082292052e+00 -2.082292052e+00 3.32 -2.013721979e+00 -2.013721979e+00 3.34 -1.947210888e+00 -1.947210888e+00 3.36 -1.882924487e+00 -1.882924487e+00 3.38 -1.820990442e+00 -1.820990442e+00 3.40 -1.761492847e+00 -1.761492847e+00 3.42 -1.704470441e+00 -1.704470441e+00 3.44 -1.649918327e+00 -1.649918327e+00 3.46 -1.597792630e+00 -1.597792630e+00 3.48 -1.548017074e+00 -1.548017074e+00 3.50 -1.500490533e+00 -1.500490533e+00 3.52 -1.455094655e+00 -1.455094655e+00 3.54 -1.411700886e+00 -1.411700886e+00 3.56 -1.370176493e+00 -1.370176493e+00 3.58 -1.330389361e+00 -1.330389361e+00 3.60 -1.292211571e+00 -1.292211571e+00 3.62 -1.255521838e+00 -1.255521838e+00 3.64 -1.220206997e+00 -1.220206997e+00 3.66 -1.186162714e+00 -1.186162714e+00 3.68 -1.153293611e+00 -1.153293611e+00 3.70 -1.121512988e+00 -1.121512988e+00 3.72 -1.090742266e+00 -1.090742266e+00 3.74 -1.060910274e+00 -1.060910274e+00 3.76 -1.031952461e+00 -1.031952461e+00 3.78 -1.003810104e+00 -1.003810104e+00 3.80 -9.764295462e-01 -9.764295462e-01 3.82 -9.497615078e-01 -9.497615078e-01 3.84 -9.237604941e-01 -9.237604941e-01 3.86 -8.983843104e-01 -8.983843104e-01 3.88 -8.735937010e-01 -8.735937010e-01 3.90 -8.493521199e-01 -8.493521199e-01 3.92 -8.256256307e-01 -8.256256307e-01 3.94 -8.023829543e-01 -8.023829543e-01 3.96 -7.795956035e-01 -7.795956035e-01 3.98 -7.572381487e-01 -7.572381487e-01 4.00 -7.352885296e-01 -7.352885296e-01 4.02 -7.137283864e-01 -7.137283864e-01 4.04 -6.925433473e-01 -6.925433473e-01 4.06 -6.717232126e-01 -6.717232126e-01 4.08 -6.512619792e-01 -6.512619792e-01 4.10 -6.311576593e-01 -6.311576593e-01 4.12 -6.114119590e-01 -6.114119590e-01 4.14 -5.920296750e-01 -5.920296750e-01 4.16 -5.730181173e-01 -5.730181173e-01 4.18 -5.543864578e-01 -5.543864578e-01 4.20 -5.361451663e-01 -5.361451663e-01 4.22 -5.183055497e-01 -5.183055497e-01 4.24 -5.008794008e-01 -5.008794008e-01 4.26 -4.838786890e-01 -4.838786890e-01 4.28 -4.673152244e-01 -4.673152244e-01 4.30 -4.512001849e-01 -4.512001849e-01 4.32 -4.355434163e-01 -4.355434163e-01 4.34 -4.203523229e-01 -4.203523229e-01 4.36 -4.056316202e-01 -4.056316202e-01 4.38 -3.913818905e-01 -3.913818905e-01 4.40 -3.775986155e-01 -3.775986155e-01 4.42 -3.642716702e-01 -3.642716702e-01 4.44 -3.513851732e-01 -3.513851732e-01 4.46 -3.389177305e-01 -3.389177305e-01 4.48 -3.268430519e-01 -3.268430519e-01 4.50 -3.151308610e-01 -3.151308610e-01 4.52 -3.037480251e-01 -3.037480251e-01 4.54 -2.926597879e-01 -2.926597879e-01 4.56 -2.818310165e-01 -2.818310165e-01 4.58 -2.712273770e-01 -2.712273770e-01 4.60 -2.608164168e-01 -2.608164168e-01 4.62 -2.505684373e-01 -2.505684373e-01 4.64 -2.404573717e-01 -2.404573717e-01 4.66 -2.304615173e-01 -2.304615173e-01 4.68 -2.205637594e-01 -2.205637594e-01 4.70 -2.107518322e-01 -2.107518322e-01 4.72 -2.010183907e-01 -2.010183907e-01 4.74 -1.913609062e-01 -1.913609062e-01 4.76 -1.817814169e-01 -1.817814169e-01 4.78 -1.722861699e-01 -1.722861699e-01 4.80 -1.628852024e-01 -1.628852024e-01 4.82 -1.535919439e-01 -1.535919439e-01 4.84 -1.444227911e-01 -1.444227911e-01 4.86 -1.353968001e-01 -1.353968001e-01 4.88 -1.265353940e-01 -1.265353940e-01 4.90 -1.178620928e-01 -1.178620928e-01 4.92 -1.094022057e-01 -1.094022057e-01 4.94 -1.011824231e-01 -1.011824231e-01 4.96 -9.323025679e-02 -9.323025679e-02 4.98 -8.557330248e-02 -8.557330248e-02 5.00 -7.823833260e-02 -7.823833260e-02 5.02 -7.125026972e-02 -7.125026972e-02 5.04 -6.463112195e-02 -6.463112195e-02 5.06 -5.839898150e-02 -5.839898150e-02 5.08 -5.256718777e-02 -5.256718777e-02 5.10 -4.714373923e-02 -4.714373923e-02 5.12 -4.213100696e-02 -4.213100696e-02 5.14 -3.752576529e-02 -3.752576529e-02 5.16 -3.331951808e-02 -3.331951808e-02 5.18 -2.949907170e-02 -2.949907170e-02 5.20 -2.604727674e-02 -2.604727674e-02 5.22 -2.294387635e-02 -2.294387635e-02 5.24 -2.016638247e-02 -2.016638247e-02 5.26 -1.769091687e-02 -1.769091687e-02 5.28 -1.549273433e-02 -1.549273433e-02 5.30 -1.354687579e-02 -1.354687579e-02 5.32 -1.182991552e-02 -1.182991552e-02 5.34 -1.031923472e-02 -1.031923472e-02 5.36 -8.993326502e-03 -8.993326502e-03 5.38 -7.832058786e-03 -7.832058786e-03 5.40 -6.816827822e-03 -6.816827822e-03 5.42 -5.930625561e-03 -5.930625561e-03 5.44 -5.158041861e-03 -5.158041861e-03 5.46 -4.485219552e-03 -4.485219552e-03 5.48 -3.899777261e-03 -3.899777261e-03 5.50 -3.390711847e-03 -3.390711847e-03 5.52 -2.948289609e-03 -2.948289609e-03 5.54 -2.563933097e-03 -2.563933097e-03 5.56 -2.230108445e-03 -2.230108445e-03 5.58 -1.940216628e-03 -1.940216628e-03 5.60 -1.688490836e-03 -1.688490836e-03 5.62 -1.469901268e-03 -1.469901268e-03 5.64 -1.280067990e-03 -1.280067990e-03 5.66 -1.115182013e-03 -1.115182013e-03 5.68 -9.719344381e-04 -9.719344381e-04 5.70 -8.474532745e-04 -8.474532745e-04 5.72 -7.392474431e-04 -7.392474431e-04 5.74 -6.451573707e-04 -6.451573707e-04 5.76 -5.633115776e-04 -5.633115776e-04 5.78 -4.920886575e-04 -4.920886575e-04 5.80 -4.300840693e-04 -4.300840693e-04 5.82 -3.760811981e-04 -3.760811981e-04 5.84 -3.290261845e-04 -3.290261845e-04 5.86 -2.880060651e-04 -2.880060651e-04 5.88 -2.522298114e-04 -2.522298114e-04 5.90 -2.210119020e-04 -2.210119020e-04 5.92 -1.937580983e-04 -1.937580983e-04 5.94 -1.699531382e-04 -1.699531382e-04 5.96 -1.491500929e-04 -1.491500929e-04 5.98 -1.309611658e-04 -1.309611658e-04 6.00 -1.150497398e-04 -1.150497398e-04