# 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 = Fe2PdTa # 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 2.822143342e+02 2.822143342e+02 1.30 2.596764710e+02 2.596764710e+02 1.32 2.388944478e+02 2.388944478e+02 1.34 2.197198700e+02 2.197198700e+02 1.36 2.020205034e+02 2.020205034e+02 1.38 1.856767789e+02 1.856767789e+02 1.40 1.705799695e+02 1.705799695e+02 1.42 1.566318955e+02 1.566318955e+02 1.44 1.437450448e+02 1.437450448e+02 1.46 1.318418638e+02 1.318418638e+02 1.48 1.208526667e+02 1.208526667e+02 1.50 1.107127139e+02 1.107127139e+02 1.52 1.013596820e+02 1.013596820e+02 1.54 9.273250689e+01 9.273250689e+01 1.56 8.477172056e+01 8.477172056e+01 1.58 7.742063943e+01 7.742063943e+01 1.60 7.062661409e+01 7.062661409e+01 1.62 6.434188924e+01 6.434188924e+01 1.64 5.852397695e+01 5.852397695e+01 1.66 5.313558755e+01 5.313558755e+01 1.68 4.814418572e+01 4.814418572e+01 1.70 4.352124807e+01 4.352124807e+01 1.72 3.924368095e+01 3.924368095e+01 1.74 3.529253660e+01 3.529253660e+01 1.76 3.164699991e+01 3.164699991e+01 1.78 2.830027875e+01 2.830027875e+01 1.80 2.523300627e+01 2.523300627e+01 1.82 2.242334878e+01 2.242334878e+01 1.84 1.985109912e+01 1.985109912e+01 1.86 1.749768241e+01 1.749768241e+01 1.88 1.534602166e+01 1.534602166e+01 1.90 1.338031469e+01 1.338031469e+01 1.92 1.158578465e+01 1.158578465e+01 1.94 9.948459001e+00 9.948459001e+00 1.96 8.455018387e+00 8.455018387e+00 1.98 7.092746171e+00 7.092746171e+00 2.00 5.849592578e+00 5.849592578e+00 2.02 4.714334848e+00 4.714334848e+00 2.04 3.676774965e+00 3.676774965e+00 2.06 2.727895479e+00 2.727895479e+00 2.08 1.859910261e+00 1.859910261e+00 2.10 1.066192401e+00 1.066192401e+00 2.12 3.411079694e-01 3.411079694e-01 2.14 -3.201920431e-01 -3.201920431e-01 2.16 -9.219731887e-01 -9.219731887e-01 2.18 -1.468083623e+00 -1.468083623e+00 2.20 -1.962076724e+00 -1.962076724e+00 2.22 -2.407295906e+00 -2.407295906e+00 2.24 -2.806932598e+00 -2.806932598e+00 2.26 -3.164067521e+00 -3.164067521e+00 2.28 -3.481701437e+00 -3.481701437e+00 2.30 -3.762776804e+00 -3.762776804e+00 2.32 -4.010157484e+00 -4.010157484e+00 2.34 -4.226541442e+00 -4.226541442e+00 2.36 -4.414933807e+00 -4.414933807e+00 2.38 -4.578251737e+00 -4.578251737e+00 2.40 -4.719196602e+00 -4.719196602e+00 2.42 -4.840214345e+00 -4.840214345e+00 2.44 -4.943326900e+00 -4.943326900e+00 2.46 -5.029854347e+00 -5.029854347e+00 2.48 -5.101019845e+00 -5.101019845e+00 2.50 -5.158051571e+00 -5.158051571e+00 2.52 -5.202137887e+00 -5.202137887e+00 2.54 -5.234395286e+00 -5.234395286e+00 2.56 -5.255849307e+00 -5.255849307e+00 2.58 -5.267427662e+00 -5.267427662e+00 2.60 -5.269963129e+00 -5.269963129e+00 2.62 -5.264202258e+00 -5.264202258e+00 2.64 -5.250815799e+00 -5.250815799e+00 2.66 -5.230408028e+00 -5.230408028e+00 2.68 -5.203655771e+00 -5.203655771e+00 2.70 -5.171339431e+00 -5.171339431e+00 2.72 -5.133712083e+00 -5.133712083e+00 2.74 -5.090991189e+00 -5.090991189e+00 2.76 -5.043391171e+00 -5.043391171e+00 2.78 -4.991128275e+00 -4.991128275e+00 2.80 -4.934402293e+00 -4.934402293e+00 2.82 -4.873415514e+00 -4.873415514e+00 2.84 -4.808413615e+00 -4.808413615e+00 2.86 -4.739693873e+00 -4.739693873e+00 2.88 -4.667556455e+00 -4.667556455e+00 2.90 -4.592301756e+00 -4.592301756e+00 2.92 -4.514222255e+00 -4.514222255e+00 2.94 -4.433457294e+00 -4.433457294e+00 2.96 -4.350021729e+00 -4.350021729e+00 2.98 -4.263972544e+00 -4.263972544e+00 3.00 -4.175397146e+00 -4.175397146e+00 3.02 -4.084396561e+00 -4.084396561e+00 3.04 -3.991074568e+00 -3.991074568e+00 3.06 -3.895533137e+00 -3.895533137e+00 3.08 -3.797873612e+00 -3.797873612e+00 3.10 -3.698202528e+00 -3.698202528e+00 3.12 -3.596640825e+00 -3.596640825e+00 3.14 -3.493335221e+00 -3.493335221e+00 3.16 -3.388470449e+00 -3.388470449e+00 3.18 -3.282280973e+00 -3.282280973e+00 3.20 -3.175060589e+00 -3.175060589e+00 3.22 -3.067168179e+00 -3.067168179e+00 3.24 -2.959027987e+00 -2.959027987e+00 3.26 -2.851123100e+00 -2.851123100e+00 3.28 -2.743981604e+00 -2.743981604e+00 3.30 -2.638155844e+00 -2.638155844e+00 3.32 -2.534196420e+00 -2.534196420e+00 3.34 -2.432623555e+00 -2.432623555e+00 3.36 -2.333899070e+00 -2.333899070e+00 3.38 -2.238402268e+00 -2.238402268e+00 3.40 -2.146412428e+00 -2.146412428e+00 3.42 -2.058099532e+00 -2.058099532e+00 3.44 -1.973523593e+00 -1.973523593e+00 3.46 -1.892641750e+00 -1.892641750e+00 3.48 -1.815321443e+00 -1.815321443e+00 3.50 -1.741357561e+00 -1.741357561e+00 3.52 -1.670491453e+00 -1.670491453e+00 3.54 -1.602430029e+00 -1.602430029e+00 3.56 -1.536863641e+00 -1.536863641e+00 3.58 -1.473481974e+00 -1.473481974e+00 3.60 -1.411987593e+00 -1.411987593e+00 3.62 -1.352107140e+00 -1.352107140e+00 3.64 -1.293600307e+00 -1.293600307e+00 3.66 -1.236266799e+00 -1.236266799e+00 3.68 -1.179951452e+00 -1.179951452e+00 3.70 -1.124547556e+00 -1.124547556e+00 3.72 -1.069998362e+00 -1.069998362e+00 3.74 -1.016296653e+00 -1.016296653e+00 3.76 -9.634822218e-01 -9.634822218e-01 3.78 -9.116372088e-01 -9.116372088e-01 3.80 -8.608793053e-01 -8.608793053e-01 3.82 -8.113530537e-01 -8.113530537e-01 3.84 -7.632196958e-01 -7.632196958e-01 3.86 -7.166462320e-01 -7.166462320e-01 3.88 -6.717945183e-01 -6.717945183e-01 3.90 -6.288115987e-01 -6.288115987e-01 3.92 -5.878211356e-01 -5.878211356e-01 3.94 -5.489173938e-01 -5.489173938e-01 3.96 -5.121618365e-01 -5.121618365e-01 3.98 -4.775823261e-01 -4.775823261e-01 4.00 -4.451746680e-01 -4.451746680e-01 4.02 -4.149060183e-01 -4.149060183e-01 4.04 -3.867195383e-01 -3.867195383e-01 4.06 -3.605396395e-01 -3.605396395e-01 4.08 -3.362772150e-01 -3.362772150e-01 4.10 -3.138343687e-01 -3.138343687e-01 4.12 -2.931083237e-01 -2.931083237e-01 4.14 -2.739943576e-01 -2.739943576e-01 4.16 -2.563877984e-01 -2.563877984e-01 4.18 -2.401852267e-01 -2.401852267e-01 4.20 -2.252851071e-01 -2.252851071e-01 4.22 -2.115881108e-01 -2.115881108e-01 4.24 -1.989973266e-01 -1.989973266e-01 4.26 -1.874185126e-01 -1.874185126e-01 4.28 -1.767604334e-01 -1.767604334e-01 4.30 -1.669353012e-01 -1.669353012e-01 4.32 -1.578592522e-01 -1.578592522e-01 4.34 -1.494526243e-01 -1.494526243e-01 4.36 -1.416410185e-01 -1.416410185e-01 4.38 -1.343552178e-01 -1.343552178e-01 4.40 -1.275312581e-01 -1.275312581e-01 4.42 -1.211105270e-01 -1.211105270e-01 4.44 -1.150397455e-01 -1.150397455e-01 4.46 -1.092708648e-01 -1.092708648e-01 4.48 -1.037609171e-01 -1.037609171e-01 4.50 -9.847185374e-02 -9.847185374e-02 4.52 -9.337039997e-02 -9.337039997e-02 4.54 -8.842794483e-02 -8.842794483e-02 4.56 -8.362047614e-02 -8.362047614e-02 4.58 -7.892855869e-02 -7.892855869e-02 4.60 -7.433734273e-02 -7.433734273e-02 4.62 -6.983657905e-02 -6.983657905e-02 4.64 -6.542060734e-02 -6.542060734e-02 4.66 -6.108827798e-02 -6.108827798e-02 4.68 -5.684276512e-02 -5.684276512e-02 4.70 -5.269123269e-02 -5.269123269e-02 4.72 -4.864432615e-02 -4.864432615e-02 4.74 -4.471548067e-02 -4.471548067e-02 4.76 -4.092006037e-02 -4.092006037e-02 4.78 -3.727436894e-02 -3.727436894e-02 4.80 -3.379459522e-02 -3.379459522e-02 4.82 -3.049577636e-02 -3.049577636e-02 4.84 -2.739085499e-02 -2.739085499e-02 4.86 -2.448991750e-02 -2.448991750e-02 4.88 -2.179966690e-02 -2.179966690e-02 4.90 -1.932315548e-02 -1.932315548e-02 4.92 -1.705977755e-02 -1.705977755e-02 4.94 -1.500506568e-02 -1.500506568e-02 4.96 -1.315176674e-02 -1.315176674e-02 4.98 -1.149075851e-02 -1.149075851e-02 5.00 -1.001081631e-02 -1.001081631e-02 5.02 -8.699261363e-03 -8.699261363e-03 5.04 -7.542564598e-03 -7.542564598e-03 5.06 -6.526872771e-03 -6.526872771e-03 5.08 -5.638441675e-03 -5.638441675e-03 5.10 -4.863972783e-03 -4.863972783e-03 5.12 -4.190858148e-03 -4.190858148e-03 5.14 -3.607343765e-03 -3.607343765e-03 5.16 -3.102624329e-03 -3.102624329e-03 5.18 -2.666883054e-03 -2.666883054e-03 5.20 -2.291289564e-03 -2.291289564e-03 5.22 -1.967967459e-03 -1.967967459e-03 5.24 -1.689941315e-03 -1.689941315e-03 5.26 -1.451071004e-03 -1.451071004e-03 5.28 -1.245979418e-03 -1.245979418e-03 5.30 -1.069978134e-03 -1.069978134e-03 5.32 -9.189942390e-04 -9.189942390e-04 5.34 -7.895004815e-04 -7.895004815e-04 5.36 -6.784500994e-04 -6.784500994e-04 5.38 -5.832170627e-04 -5.832170627e-04 5.40 -5.015420271e-04 -5.015420271e-04 5.42 -4.314839843e-04 -4.314839843e-04 5.44 -3.713773891e-04 -3.713773891e-04 5.46 -3.197944163e-04 -3.197944163e-04 5.48 -2.755119302e-04 -2.755119302e-04 5.50 -2.374827190e-04 -2.374827190e-04 5.52 -2.048105445e-04 -2.048105445e-04 5.54 -1.767285738e-04 -1.767285738e-04 5.56 -1.525807852e-04 -1.525807852e-04 5.58 -1.318059749e-04 -1.318059749e-04 5.60 -1.139240269e-04 -1.139240269e-04 5.62 -9.852414225e-05 -9.852414225e-05 5.64 -8.525476242e-05 -8.525476242e-05 5.66 -7.381494923e-05 -7.381494923e-05 5.68 -6.394701767e-05 -6.394701767e-05 5.70 -5.543024250e-05 -5.543024250e-05 5.72 -4.807548450e-05 -4.807548450e-05 5.74 -4.172060310e-05 -4.172060310e-05 5.76 -3.622654095e-05 -3.622654095e-05 5.78 -3.147398214e-05 -3.147398214e-05 5.80 -2.736050003e-05 -2.736050003e-05 5.82 -2.379812247e-05 -2.379812247e-05 5.84 -2.071125311e-05 -2.071125311e-05 5.86 -1.803489627e-05 -1.803489627e-05 5.88 -1.571314047e-05 -1.571314047e-05 5.90 -1.369786275e-05 -1.369786275e-05 5.92 -1.194762094e-05 -1.194762094e-05 5.94 -1.042670650e-05 -1.042670650e-05 5.96 -9.104334091e-06 -9.104334091e-06 5.98 -7.953947985e-06 -7.953947985e-06 6.00 -6.952628134e-06 -6.952628134e-06