# 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 = Al2FeTi # 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 1.374862112e+02 1.374862112e+02 1.30 1.270808496e+02 1.270808496e+02 1.32 1.174606102e+02 1.174606102e+02 1.34 1.085608695e+02 1.085608695e+02 1.36 1.003225854e+02 1.003225854e+02 1.38 9.269324478e+01 9.269324478e+01 1.40 8.562633205e+01 8.562633205e+01 1.42 7.907961175e+01 7.907961175e+01 1.44 7.301335815e+01 7.301335815e+01 1.46 6.738947125e+01 6.738947125e+01 1.48 6.217192948e+01 6.217192948e+01 1.50 5.732814152e+01 5.732814152e+01 1.52 5.282985994e+01 5.282985994e+01 1.54 4.865276341e+01 4.865276341e+01 1.56 4.477517739e+01 4.477517739e+01 1.58 4.117687478e+01 4.117687478e+01 1.60 3.783837922e+01 3.783837922e+01 1.62 3.474070037e+01 3.474070037e+01 1.64 3.186533886e+01 3.186533886e+01 1.66 2.919454333e+01 2.919454333e+01 1.68 2.671124238e+01 2.671124238e+01 1.70 2.439988987e+01 2.439988987e+01 1.72 2.224748794e+01 2.224748794e+01 1.74 2.024585393e+01 2.024585393e+01 1.76 1.838523365e+01 1.838523365e+01 1.78 1.665627203e+01 1.665627203e+01 1.80 1.505027074e+01 1.505027074e+01 1.82 1.355909370e+01 1.355909370e+01 1.84 1.217519109e+01 1.217519109e+01 1.86 1.089159964e+01 1.089159964e+01 1.88 9.701861346e+00 9.701861346e+00 1.90 8.599876370e+00 8.599876370e+00 1.92 7.579732719e+00 7.579732719e+00 1.94 6.635566285e+00 6.635566285e+00 1.96 5.761506296e+00 5.761506296e+00 1.98 4.951740621e+00 4.951740621e+00 2.00 4.200688179e+00 4.200688179e+00 2.02 3.503214187e+00 3.503214187e+00 2.04 2.854799769e+00 2.854799769e+00 2.06 2.251601405e+00 2.251601405e+00 2.08 1.690394828e+00 1.690394828e+00 2.10 1.168447411e+00 1.168447411e+00 2.12 6.833725126e-01 6.833725126e-01 2.14 2.330032942e-01 2.330032942e-01 2.16 -1.846957890e-01 -1.846957890e-01 2.18 -5.716767332e-01 -5.716767332e-01 2.20 -9.298224704e-01 -9.298224704e-01 2.22 -1.260941843e+00 -1.260941843e+00 2.24 -1.566756179e+00 -1.566756179e+00 2.26 -1.848883034e+00 -1.848883034e+00 2.28 -2.108819031e+00 -2.108819031e+00 2.30 -2.347923784e+00 -2.347923784e+00 2.32 -2.567410507e+00 -2.567410507e+00 2.34 -2.768345514e+00 -2.768345514e+00 2.36 -2.951658508e+00 -2.951658508e+00 2.38 -3.118162287e+00 -3.118162287e+00 2.40 -3.268580777e+00 -3.268580777e+00 2.42 -3.403582931e+00 -3.403582931e+00 2.44 -3.523818497e+00 -3.523818497e+00 2.46 -3.629951688e+00 -3.629951688e+00 2.48 -3.722688847e+00 -3.722688847e+00 2.50 -3.802817291e+00 -3.802817291e+00 2.52 -3.871216417e+00 -3.871216417e+00 2.54 -3.928744770e+00 -3.928744770e+00 2.56 -3.976333854e+00 -3.976333854e+00 2.58 -4.014981471e+00 -4.014981471e+00 2.60 -4.045724070e+00 -4.045724070e+00 2.62 -4.069593535e+00 -4.069593535e+00 2.64 -4.087561502e+00 -4.087561502e+00 2.66 -4.100422603e+00 -4.100422603e+00 2.68 -4.108722741e+00 -4.108722741e+00 2.70 -4.112869737e+00 -4.112869737e+00 2.72 -4.113153172e+00 -4.113153172e+00 2.74 -4.109866203e+00 -4.109866203e+00 2.76 -4.104277606e+00 -4.104277606e+00 2.78 -4.096349699e+00 -4.096349699e+00 2.80 -4.085684155e+00 -4.085684155e+00 2.82 -4.071967044e+00 -4.071967044e+00 2.84 -4.054966250e+00 -4.054966250e+00 2.86 -4.034524669e+00 -4.034524669e+00 2.88 -4.010550844e+00 -4.010550844e+00 2.90 -3.983002128e+00 -3.983002128e+00 2.92 -3.951837822e+00 -3.951837822e+00 2.94 -3.917071734e+00 -3.917071734e+00 2.96 -3.878776069e+00 -3.878776069e+00 2.98 -3.837073530e+00 -3.837073530e+00 3.00 -3.792141716e+00 -3.792141716e+00 3.02 -3.744216686e+00 -3.744216686e+00 3.04 -3.693591646e+00 -3.693591646e+00 3.06 -3.640607827e+00 -3.640607827e+00 3.08 -3.585636367e+00 -3.585636367e+00 3.10 -3.529054716e+00 -3.529054716e+00 3.12 -3.471221980e+00 -3.471221980e+00 3.14 -3.412459245e+00 -3.412459245e+00 3.16 -3.353037926e+00 -3.353037926e+00 3.18 -3.293178061e+00 -3.293178061e+00 3.20 -3.233054120e+00 -3.233054120e+00 3.22 -3.172805445e+00 -3.172805445e+00 3.24 -3.112547837e+00 -3.112547837e+00 3.26 -3.052383627e+00 -3.052383627e+00 3.28 -2.992408694e+00 -2.992408694e+00 3.30 -2.932716018e+00 -2.932716018e+00 3.32 -2.873396217e+00 -2.873396217e+00 3.34 -2.814535994e+00 -2.814535994e+00 3.36 -2.756215637e+00 -2.756215637e+00 3.38 -2.698506568e+00 -2.698506568e+00 3.40 -2.641469715e+00 -2.641469715e+00 3.42 -2.585155221e+00 -2.585155221e+00 3.44 -2.529603277e+00 -2.529603277e+00 3.46 -2.474846207e+00 -2.474846207e+00 3.48 -2.420911040e+00 -2.420911040e+00 3.50 -2.367822091e+00 -2.367822091e+00 3.52 -2.315602940e+00 -2.315602940e+00 3.54 -2.264277352e+00 -2.264277352e+00 3.56 -2.213868912e+00 -2.213868912e+00 3.58 -2.164399523e+00 -2.164399523e+00 3.60 -2.115887198e+00 -2.115887198e+00 3.62 -2.068343791e+00 -2.068343791e+00 3.64 -2.021773284e+00 -2.021773284e+00 3.66 -1.976171020e+00 -1.976171020e+00 3.68 -1.931523977e+00 -1.931523977e+00 3.70 -1.887811861e+00 -1.887811861e+00 3.72 -1.845008669e+00 -1.845008669e+00 3.74 -1.803084362e+00 -1.803084362e+00 3.76 -1.762006352e+00 -1.762006352e+00 3.78 -1.721740690e+00 -1.721740690e+00 3.80 -1.682252899e+00 -1.682252899e+00 3.82 -1.643508516e+00 -1.643508516e+00 3.84 -1.605473409e+00 -1.605473409e+00 3.86 -1.568113953e+00 -1.568113953e+00 3.88 -1.531397125e+00 -1.531397125e+00 3.90 -1.495290564e+00 -1.495290564e+00 3.92 -1.459762575e+00 -1.459762575e+00 3.94 -1.424782282e+00 -1.424782282e+00 3.96 -1.390319461e+00 -1.390319461e+00 3.98 -1.356344703e+00 -1.356344703e+00 4.00 -1.322829417e+00 -1.322829417e+00 4.02 -1.289745921e+00 -1.289745921e+00 4.04 -1.257067621e+00 -1.257067621e+00 4.06 -1.224769305e+00 -1.224769305e+00 4.08 -1.192827627e+00 -1.192827627e+00 4.10 -1.161221706e+00 -1.161221706e+00 4.12 -1.129934404e+00 -1.129934404e+00 4.14 -1.098952915e+00 -1.098952915e+00 4.16 -1.068270470e+00 -1.068270470e+00 4.18 -1.037887615e+00 -1.037887615e+00 4.20 -1.007813529e+00 -1.007813529e+00 4.22 -9.780670581e-01 -9.780670581e-01 4.24 -9.486772673e-01 -9.486772673e-01 4.26 -9.196832818e-01 -9.196832818e-01 4.28 -8.911332626e-01 -8.911332626e-01 4.30 -8.630824403e-01 -8.630824403e-01 4.32 -8.355902670e-01 -8.355902670e-01 4.34 -8.087168925e-01 -8.087168925e-01 4.36 -7.825192958e-01 -7.825192958e-01 4.38 -7.570474834e-01 -7.570474834e-01 4.40 -7.323411673e-01 -7.323411673e-01 4.42 -7.084272663e-01 -7.084272663e-01 4.44 -6.853184406e-01 -6.853184406e-01 4.46 -6.630127141e-01 -6.630127141e-01 4.48 -6.414940855e-01 -6.414940855e-01 4.50 -6.207339257e-01 -6.207339257e-01 4.52 -6.006928975e-01 -6.006928975e-01 4.54 -5.813231341e-01 -5.813231341e-01 4.56 -5.625704498e-01 -5.625704498e-01 4.58 -5.443764156e-01 -5.443764156e-01 4.60 -5.266802023e-01 -5.266802023e-01 4.62 -5.094201538e-01 -5.094201538e-01 4.64 -4.925351016e-01 -4.925351016e-01 4.66 -4.759654665e-01 -4.759654665e-01 4.68 -4.596542091e-01 -4.596542091e-01 4.70 -4.435476983e-01 -4.435476983e-01 4.72 -4.275965623e-01 -4.275965623e-01 4.74 -4.117565739e-01 -4.117565739e-01 4.76 -3.959896042e-01 -3.959896042e-01 4.78 -3.802646546e-01 -3.802646546e-01 4.80 -3.645589005e-01 -3.645589005e-01 4.82 -3.488590119e-01 -3.488590119e-01 4.84 -3.331618693e-01 -3.331618693e-01 4.86 -3.174756735e-01 -3.174756735e-01 4.88 -3.018204704e-01 -3.018204704e-01 4.90 -2.862283074e-01 -2.862283074e-01 4.92 -2.707428391e-01 -2.707428391e-01 4.94 -2.554182845e-01 -2.554182845e-01 4.96 -2.403176980e-01 -2.403176980e-01 4.98 -2.255105819e-01 -2.255105819e-01 5.00 -2.110699513e-01 -2.110699513e-01 5.02 -1.970690387e-01 -1.970690387e-01 5.04 -1.835778849e-01 -1.835778849e-01 5.06 -1.706600924e-01 -1.706600924e-01 5.08 -1.583700081e-01 -1.583700081e-01 5.10 -1.467505562e-01 -1.467505562e-01 5.12 -1.358318637e-01 -1.358318637e-01 5.14 -1.256307307e-01 -1.256307307e-01 5.16 -1.161509038e-01 -1.161509038e-01 5.18 -1.073840359e-01 -1.073840359e-01 5.20 -9.931116529e-02 -9.931116529e-02 5.22 -9.190452440e-02 -9.190452440e-02 5.24 -8.512949462e-02 -8.512949462e-02 5.26 -7.894654854e-02 -7.894654854e-02 5.28 -7.331305797e-02 -7.331305797e-02 5.30 -6.818488444e-02 -6.818488444e-02 5.32 -6.351770764e-02 -6.351770764e-02 5.34 -5.926808762e-02 -5.926808762e-02 5.36 -5.539426046e-02 -5.539426046e-02 5.38 -5.185647152e-02 -5.185647152e-02 5.40 -4.861748905e-02 -4.861748905e-02 5.42 -4.564351663e-02 -4.564351663e-02 5.44 -4.290361085e-02 -4.290361085e-02 5.46 -4.036952650e-02 -4.036952650e-02 5.48 -3.801570920e-02 -3.801570920e-02 5.50 -3.581922238e-02 -3.581922238e-02 5.52 -3.375963697e-02 -3.375963697e-02 5.54 -3.181890546e-02 -3.181890546e-02 5.56 -2.998123107e-02 -2.998123107e-02 5.58 -2.823294645e-02 -2.823294645e-02 5.60 -2.656240295e-02 -2.656240295e-02 5.62 -2.495987079e-02 -2.495987079e-02 5.64 -2.341744769e-02 -2.341744769e-02 5.66 -2.192897063e-02 -2.192897063e-02 5.68 -2.048992327e-02 -2.048992327e-02 5.70 -1.909733101e-02 -1.909733101e-02 5.72 -1.774963534e-02 -1.774963534e-02 5.74 -1.644654090e-02 -1.644654090e-02 5.76 -1.518882836e-02 -1.518882836e-02 5.78 -1.397797545e-02 -1.397797545e-02 5.80 -1.281621784e-02 -1.281621784e-02 5.82 -1.170626963e-02 -1.170626963e-02 5.84 -1.065093302e-02 -1.065093302e-02 5.86 -9.652844596e-03 -9.652844596e-03 5.88 -8.714249720e-03 -8.714249720e-03 5.90 -7.836819350e-03 -7.836819350e-03 5.92 -7.021519363e-03 -7.021519363e-03 5.94 -6.268537331e-03 -6.268537331e-03 5.96 -5.577266023e-03 -5.577266023e-03 5.98 -4.946337814e-03 -4.946337814e-03 6.00 -4.373700356e-03 -4.373700356e-03