# 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 = Al2FeZr # 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 1.619908777e+02 1.619908777e+02 1.30 1.500481995e+02 1.500481995e+02 1.32 1.389896366e+02 1.389896366e+02 1.34 1.287435884e+02 1.287435884e+02 1.36 1.192446400e+02 1.192446400e+02 1.38 1.104346078e+02 1.104346078e+02 1.40 1.022620512e+02 1.022620512e+02 1.42 9.468026245e+01 9.468026245e+01 1.44 8.764509162e+01 8.764509162e+01 1.46 8.111386436e+01 8.111386436e+01 1.48 7.504598198e+01 7.504598198e+01 1.50 6.940454788e+01 6.940454788e+01 1.52 6.415749420e+01 6.415749420e+01 1.54 5.927716699e+01 5.927716699e+01 1.56 5.473899696e+01 5.473899696e+01 1.58 5.052023437e+01 5.052023437e+01 1.60 4.659917815e+01 4.659917815e+01 1.62 4.295475067e+01 4.295475067e+01 1.64 3.956634912e+01 3.956634912e+01 1.66 3.641394407e+01 3.641394407e+01 1.68 3.347849564e+01 3.347849564e+01 1.70 3.074259521e+01 3.074259521e+01 1.72 2.819115875e+01 2.819115875e+01 1.74 2.581128976e+01 2.581128976e+01 1.76 2.359118113e+01 2.359118113e+01 1.78 2.152004841e+01 2.152004841e+01 1.80 1.958792662e+01 1.958792662e+01 1.82 1.778631258e+01 1.778631258e+01 1.84 1.610931897e+01 1.610931897e+01 1.86 1.454881142e+01 1.454881142e+01 1.88 1.309701791e+01 1.309701791e+01 1.90 1.174675759e+01 1.174675759e+01 1.92 1.049129676e+01 1.049129676e+01 1.94 9.324161207e+00 9.324161207e+00 1.96 8.239016972e+00 8.239016972e+00 1.98 7.229682303e+00 7.229682303e+00 2.00 6.290267117e+00 6.290267117e+00 2.02 5.415360669e+00 5.415360669e+00 2.04 4.600175293e+00 4.600175293e+00 2.06 3.840572417e+00 3.840572417e+00 2.08 3.132960244e+00 3.132960244e+00 2.10 2.474139803e+00 2.474139803e+00 2.12 1.861149272e+00 1.861149272e+00 2.14 1.291166263e+00 1.291166263e+00 2.16 7.614719241e-01 7.614719241e-01 2.18 2.694485909e-01 2.694485909e-01 2.20 -1.873970557e-01 -1.873970557e-01 2.22 -6.114213264e-01 -6.114213264e-01 2.24 -1.004825420e+00 -1.004825420e+00 2.26 -1.369634606e+00 -1.369634606e+00 2.28 -1.707688226e+00 -1.707688226e+00 2.30 -2.020607960e+00 -2.020607960e+00 2.32 -2.309814093e+00 -2.309814093e+00 2.34 -2.576528126e+00 -2.576528126e+00 2.36 -2.821808085e+00 -2.821808085e+00 2.38 -3.046583807e+00 -3.046583807e+00 2.40 -3.251697848e+00 -3.251697848e+00 2.42 -3.437950943e+00 -3.437950943e+00 2.44 -3.606136031e+00 -3.606136031e+00 2.46 -3.757072553e+00 -3.757072553e+00 2.48 -3.891668329e+00 -3.891668329e+00 2.50 -4.010855114e+00 -4.010855114e+00 2.52 -4.115540708e+00 -4.115540708e+00 2.54 -4.206707948e+00 -4.206707948e+00 2.56 -4.285412827e+00 -4.285412827e+00 2.58 -4.352775530e+00 -4.352775530e+00 2.60 -4.409957967e+00 -4.409957967e+00 2.62 -4.458118050e+00 -4.458118050e+00 2.64 -4.498242921e+00 -4.498242921e+00 2.66 -4.531108218e+00 -4.531108218e+00 2.68 -4.557394407e+00 -4.557394407e+00 2.70 -4.577666846e+00 -4.577666846e+00 2.72 -4.592372179e+00 -4.592372179e+00 2.74 -4.601853531e+00 -4.601853531e+00 2.76 -4.606375846e+00 -4.606375846e+00 2.78 -4.606150834e+00 -4.606150834e+00 2.80 -4.601368128e+00 -4.601368128e+00 2.82 -4.592198930e+00 -4.592198930e+00 2.84 -4.578816595e+00 -4.578816595e+00 2.86 -4.561400507e+00 -4.561400507e+00 2.88 -4.540139720e+00 -4.540139720e+00 2.90 -4.515235065e+00 -4.515235065e+00 2.92 -4.487170502e+00 -4.487170502e+00 2.94 -4.457230806e+00 -4.457230806e+00 2.96 -4.425351774e+00 -4.425351774e+00 2.98 -4.391366585e+00 -4.391366585e+00 3.00 -4.355174512e+00 -4.355174512e+00 3.02 -4.316736066e+00 -4.316736066e+00 3.04 -4.276066613e+00 -4.276066613e+00 3.06 -4.233237645e+00 -4.233237645e+00 3.08 -4.188355829e+00 -4.188355829e+00 3.10 -4.141541719e+00 -4.141541719e+00 3.12 -4.092915776e+00 -4.092915776e+00 3.14 -4.042613496e+00 -4.042613496e+00 3.16 -3.990765608e+00 -3.990765608e+00 3.18 -3.937500712e+00 -3.937500712e+00 3.20 -3.882942881e+00 -3.882942881e+00 3.22 -3.827214922e+00 -3.827214922e+00 3.24 -3.770443666e+00 -3.770443666e+00 3.26 -3.712765401e+00 -3.712765401e+00 3.28 -3.654329610e+00 -3.654329610e+00 3.30 -3.595299500e+00 -3.595299500e+00 3.32 -3.535848585e+00 -3.535848585e+00 3.34 -3.476153706e+00 -3.476153706e+00 3.36 -3.416385943e+00 -3.416385943e+00 3.38 -3.356701571e+00 -3.356701571e+00 3.40 -3.297234087e+00 -3.297234087e+00 3.42 -3.238094901e+00 -3.238094901e+00 3.44 -3.179366339e+00 -3.179366339e+00 3.46 -3.121109134e+00 -3.121109134e+00 3.48 -3.063365291e+00 -3.063365291e+00 3.50 -3.006162678e+00 -3.006162678e+00 3.52 -2.949519210e+00 -2.949519210e+00 3.54 -2.893446182e+00 -2.893446182e+00 3.56 -2.837950643e+00 -2.837950643e+00 3.58 -2.783036895e+00 -2.783036895e+00 3.60 -2.728707317e+00 -2.728707317e+00 3.62 -2.674962739e+00 -2.674962739e+00 3.64 -2.621802548e+00 -2.621802548e+00 3.66 -2.569224733e+00 -2.569224733e+00 3.68 -2.517225974e+00 -2.517225974e+00 3.70 -2.465801902e+00 -2.465801902e+00 3.72 -2.414947602e+00 -2.414947602e+00 3.74 -2.364658353e+00 -2.364658353e+00 3.76 -2.314930613e+00 -2.314930613e+00 3.78 -2.265763106e+00 -2.265763106e+00 3.80 -2.217157851e+00 -2.217157851e+00 3.82 -2.169120874e+00 -2.169120874e+00 3.84 -2.121662343e+00 -2.121662343e+00 3.86 -2.074795911e+00 -2.074795911e+00 3.88 -2.028537216e+00 -2.028537216e+00 3.90 -1.982901653e+00 -1.982901653e+00 3.92 -1.937900426e+00 -1.937900426e+00 3.94 -1.893543857e+00 -1.893543857e+00 3.96 -1.849830438e+00 -1.849830438e+00 3.98 -1.806752364e+00 -1.806752364e+00 4.00 -1.764293994e+00 -1.764293994e+00 4.02 -1.722432967e+00 -1.722432967e+00 4.04 -1.681141983e+00 -1.681141983e+00 4.06 -1.640390939e+00 -1.640390939e+00 4.08 -1.600149156e+00 -1.600149156e+00 4.10 -1.560383434e+00 -1.560383434e+00 4.12 -1.521077112e+00 -1.521077112e+00 4.14 -1.482204929e+00 -1.482204929e+00 4.16 -1.443753626e+00 -1.443753626e+00 4.18 -1.405718358e+00 -1.405718358e+00 4.20 -1.368103912e+00 -1.368103912e+00 4.22 -1.330925575e+00 -1.330925575e+00 4.24 -1.294209492e+00 -1.294209492e+00 4.26 -1.257992352e+00 -1.257992352e+00 4.28 -1.222320252e+00 -1.222320252e+00 4.30 -1.187246683e+00 -1.187246683e+00 4.32 -1.152829694e+00 -1.152829694e+00 4.34 -1.119128407e+00 -1.119128407e+00 4.36 -1.086199210e+00 -1.086199210e+00 4.38 -1.054091997e+00 -1.054091997e+00 4.40 -1.022846865e+00 -1.022846865e+00 4.42 -9.924915897e-01 -9.924915897e-01 4.44 -9.630400881e-01 -9.630400881e-01 4.46 -9.344919389e-01 -9.344919389e-01 4.48 -9.068328653e-01 -9.068328653e-01 4.50 -8.800359974e-01 -8.800359974e-01 4.52 -8.540636665e-01 -8.540636665e-01 4.54 -8.288694767e-01 -8.288694767e-01 4.56 -8.044004362e-01 -8.044004362e-01 4.58 -7.805989829e-01 -7.805989829e-01 4.60 -7.574048081e-01 -7.574048081e-01 4.62 -7.347564346e-01 -7.347564346e-01 4.64 -7.125925596e-01 -7.125925596e-01 4.66 -6.908531985e-01 -6.908531985e-01 4.68 -6.694806892e-01 -6.694806892e-01 4.70 -6.484206180e-01 -6.484206180e-01 4.72 -6.276227266e-01 -6.276227266e-01 4.74 -6.070418456e-01 -6.070418456e-01 4.76 -5.866388829e-01 -5.866388829e-01 4.78 -5.663818719e-01 -5.663818719e-01 4.80 -5.462440070e-01 -5.462440070e-01 4.82 -5.262174273e-01 -5.262174273e-01 4.84 -5.062942688e-01 -5.062942688e-01 4.86 -4.864813785e-01 -4.864813785e-01 4.88 -4.667971072e-01 -4.667971072e-01 4.90 -4.472713308e-01 -4.472713308e-01 4.92 -4.279449187e-01 -4.279449187e-01 4.94 -4.088685739e-01 -4.088685739e-01 4.96 -3.901010263e-01 -3.901010263e-01 4.98 -3.717066264e-01 -3.717066264e-01 5.00 -3.537524686e-01 -3.537524686e-01 5.02 -3.363052342e-01 -3.363052342e-01 5.04 -3.194279980e-01 -3.194279980e-01 5.06 -3.031772545e-01 -3.031772545e-01 5.08 -2.876004032e-01 -2.876004032e-01 5.10 -2.727338782e-01 -2.727338782e-01 5.12 -2.586020342e-01 -2.586020342e-01 5.14 -2.452168146e-01 -2.452168146e-01 5.16 -2.325781472e-01 -2.325781472e-01 5.18 -2.206749535e-01 -2.206749535e-01 5.20 -2.094866142e-01 -2.094866142e-01 5.22 -1.989847250e-01 -1.989847250e-01 5.24 -1.891349790e-01 -1.891349790e-01 5.26 -1.798990402e-01 -1.798990402e-01 5.28 -1.712363002e-01 -1.712363002e-01 5.30 -1.631054426e-01 -1.631054426e-01 5.32 -1.554657742e-01 -1.554657742e-01 5.34 -1.482782997e-01 -1.482782997e-01 5.36 -1.415065345e-01 -1.415065345e-01 5.38 -1.351168751e-01 -1.351168751e-01 5.40 -1.290793604e-01 -1.290793604e-01 5.42 -1.233676628e-01 -1.233676628e-01 5.44 -1.179588268e-01 -1.179588268e-01 5.46 -1.128330643e-01 -1.128330643e-01 5.48 -1.079734097e-01 -1.079734097e-01 5.50 -1.033652778e-01 -1.033652778e-01 5.52 -9.899596779e-02 -9.899596779e-02 5.54 -9.485415517e-02 -9.485415517e-02 5.56 -9.092941721e-02 -9.092941721e-02 5.58 -8.721182117e-02 -8.721182117e-02 5.60 -8.369159941e-02 -8.369159941e-02 5.62 -8.035889124e-02 -8.035889124e-02 5.64 -7.720338368e-02 -7.720338368e-02 5.66 -7.421496031e-02 -7.421496031e-02 5.68 -7.138334601e-02 -7.138334601e-02 5.70 -6.869807022e-02 -6.869807022e-02 5.72 -6.614859960e-02 -6.614859960e-02 5.74 -6.372447541e-02 -6.372447541e-02 5.76 -6.141544161e-02 -6.141544161e-02 5.78 -5.921155435e-02 -5.921155435e-02 5.80 -5.710326822e-02 -5.710326822e-02 5.82 -5.508149795e-02 -5.508149795e-02 5.84 -5.313765733e-02 -5.313765733e-02 5.86 -5.126367857e-02 -5.126367857e-02 5.88 -4.945201644e-02 -4.945201644e-02 5.90 -4.769564186e-02 -4.769564186e-02 5.92 -4.598802931e-02 -4.598802931e-02 5.94 -4.432314221e-02 -4.432314221e-02 5.96 -4.269541972e-02 -4.269541972e-02 5.98 -4.109976784e-02 -4.109976784e-02 6.00 -3.953155851e-02 -3.953155851e-02