# 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 = NiPdW2 # 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 3.450974045e+02 3.450974045e+02 1.30 3.187323389e+02 3.187323389e+02 1.32 2.943952284e+02 2.943952284e+02 1.34 2.719133886e+02 2.719133886e+02 1.36 2.511298433e+02 2.511298433e+02 1.38 2.319024437e+02 2.319024437e+02 1.40 2.141034444e+02 2.141034444e+02 1.42 1.976185419e+02 1.976185419e+02 1.44 1.823453550e+02 1.823453550e+02 1.46 1.681915431e+02 1.681915431e+02 1.48 1.550728842e+02 1.550728842e+02 1.50 1.429118124e+02 1.429118124e+02 1.52 1.316367328e+02 1.316367328e+02 1.54 1.211818637e+02 1.211818637e+02 1.56 1.114869819e+02 1.114869819e+02 1.58 1.024967506e+02 1.024967506e+02 1.60 9.415989635e+01 9.415989635e+01 1.62 8.642863012e+01 8.642863012e+01 1.64 7.925836796e+01 7.925836796e+01 1.66 7.260754609e+01 7.260754609e+01 1.68 6.643741496e+01 6.643741496e+01 1.70 6.071187545e+01 6.071187545e+01 1.72 5.539743330e+01 5.539743330e+01 1.74 5.046325560e+01 5.046325560e+01 1.76 4.588124417e+01 4.588124417e+01 1.78 4.162603354e+01 4.162603354e+01 1.80 3.767486687e+01 3.767486687e+01 1.82 3.400825471e+01 3.400825471e+01 1.84 3.060827160e+01 3.060827160e+01 1.86 2.745775437e+01 2.745775437e+01 1.88 2.454314744e+01 2.454314744e+01 1.90 2.186269709e+01 2.186269709e+01 1.92 1.940104922e+01 1.940104922e+01 1.94 1.714146885e+01 1.714146885e+01 1.96 1.506842163e+01 1.506842163e+01 1.98 1.316753440e+01 1.316753440e+01 2.00 1.142548781e+01 1.142548781e+01 2.02 9.829871550e+00 9.829871550e+00 2.04 8.369032861e+00 8.369032861e+00 2.06 7.031945939e+00 7.031945939e+00 2.08 5.808126490e+00 5.808126490e+00 2.10 4.687610214e+00 4.687610214e+00 2.12 3.661001043e+00 3.661001043e+00 2.14 2.719574477e+00 2.719574477e+00 2.16 1.855400614e+00 1.855400614e+00 2.18 1.061441888e+00 1.061441888e+00 2.20 3.315884196e-01 3.315884196e-01 2.22 -3.393843464e-01 -3.393843464e-01 2.24 -9.559264466e-01 -9.559264466e-01 2.26 -1.521866249e+00 -1.521866249e+00 2.28 -2.040573601e+00 -2.040573601e+00 2.30 -2.515105815e+00 -2.515105815e+00 2.32 -2.948317985e+00 -2.948317985e+00 2.34 -3.342929074e+00 -3.342929074e+00 2.36 -3.701545320e+00 -3.701545320e+00 2.38 -4.026652536e+00 -4.026652536e+00 2.40 -4.320558170e+00 -4.320558170e+00 2.42 -4.585289006e+00 -4.585289006e+00 2.44 -4.823047078e+00 -4.823047078e+00 2.46 -5.035902497e+00 -5.035902497e+00 2.48 -5.225754600e+00 -5.225754600e+00 2.50 -5.394344977e+00 -5.394344977e+00 2.52 -5.543258464e+00 -5.543258464e+00 2.54 -5.673916472e+00 -5.673916472e+00 2.56 -5.787418051e+00 -5.787418051e+00 2.58 -5.884207460e+00 -5.884207460e+00 2.60 -5.964620985e+00 -5.964620985e+00 2.62 -6.029018101e+00 -6.029018101e+00 2.64 -6.077780527e+00 -6.077780527e+00 2.66 -6.111317405e+00 -6.111317405e+00 2.68 -6.130072257e+00 -6.130072257e+00 2.70 -6.134528361e+00 -6.134528361e+00 2.72 -6.125210343e+00 -6.125210343e+00 2.74 -6.102681064e+00 -6.102681064e+00 2.76 -6.067534498e+00 -6.067534498e+00 2.78 -6.020387353e+00 -6.020387353e+00 2.80 -5.961870925e+00 -5.961870925e+00 2.82 -5.892629680e+00 -5.892629680e+00 2.84 -5.813328802e+00 -5.813328802e+00 2.86 -5.724666318e+00 -5.724666318e+00 2.88 -5.627389759e+00 -5.627389759e+00 2.90 -5.522384617e+00 -5.522384617e+00 2.92 -5.410853669e+00 -5.410853669e+00 2.94 -5.293639106e+00 -5.293639106e+00 2.96 -5.171532394e+00 -5.171532394e+00 2.98 -5.045374629e+00 -5.045374629e+00 3.00 -4.916081610e+00 -4.916081610e+00 3.02 -4.784595602e+00 -4.784595602e+00 3.04 -4.651832733e+00 -4.651832733e+00 3.06 -4.518639560e+00 -4.518639560e+00 3.08 -4.385788247e+00 -4.385788247e+00 3.10 -4.253911573e+00 -4.253911573e+00 3.12 -4.123466031e+00 -4.123466031e+00 3.14 -3.994732221e+00 -3.994732221e+00 3.16 -3.867828001e+00 -3.867828001e+00 3.18 -3.742731474e+00 -3.742731474e+00 3.20 -3.619310338e+00 -3.619310338e+00 3.22 -3.497354297e+00 -3.497354297e+00 3.24 -3.376607874e+00 -3.376607874e+00 3.26 -3.256801766e+00 -3.256801766e+00 3.28 -3.137681615e+00 -3.137681615e+00 3.30 -3.019033570e+00 -3.019033570e+00 3.32 -2.900706244e+00 -2.900706244e+00 3.34 -2.782628663e+00 -2.782628663e+00 3.36 -2.664823627e+00 -2.664823627e+00 3.38 -2.547415764e+00 -2.547415764e+00 3.40 -2.430633439e+00 -2.430633439e+00 3.42 -2.314803811e+00 -2.314803811e+00 3.44 -2.200340736e+00 -2.200340736e+00 3.46 -2.087725803e+00 -2.087725803e+00 3.48 -1.977483603e+00 -1.977483603e+00 3.50 -1.870153126e+00 -1.870153126e+00 3.52 -1.766257752e+00 -1.766257752e+00 3.54 -1.666276647e+00 -1.666276647e+00 3.56 -1.570620157e+00 -1.570620157e+00 3.58 -1.479611286e+00 -1.479611286e+00 3.60 -1.393474496e+00 -1.393474496e+00 3.62 -1.312332081e+00 -1.312332081e+00 3.64 -1.236207534e+00 -1.236207534e+00 3.66 -1.165034631e+00 -1.165034631e+00 3.68 -1.098670585e+00 -1.098670585e+00 3.70 -1.036911529e+00 -1.036911529e+00 3.72 -9.795087648e-01 -9.795087648e-01 3.74 -9.261844402e-01 -9.261844402e-01 3.76 -8.766457295e-01 -8.766457295e-01 3.78 -8.305968873e-01 -8.305968873e-01 3.80 -7.877488622e-01 -7.877488622e-01 3.82 -7.478263793e-01 -7.478263793e-01 3.84 -7.105725833e-01 -7.105725833e-01 3.86 -6.757514712e-01 -6.757514712e-01 3.88 -6.431484650e-01 -6.431484650e-01 3.90 -6.125695637e-01 -6.125695637e-01 3.92 -5.838395779e-01 -5.838395779e-01 3.94 -5.567999512e-01 -5.567999512e-01 3.96 -5.313066109e-01 -5.313066109e-01 3.98 -5.072281685e-01 -5.072281685e-01 4.00 -4.844446251e-01 -4.844446251e-01 4.02 -4.628465733e-01 -4.628465733e-01 4.04 -4.423347638e-01 -4.423347638e-01 4.06 -4.228198141e-01 -4.228198141e-01 4.08 -4.042218744e-01 -4.042218744e-01 4.10 -3.864700705e-01 -3.864700705e-01 4.12 -3.695016231e-01 -3.695016231e-01 4.14 -3.532606456e-01 -3.532606456e-01 4.16 -3.376967368e-01 -3.376967368e-01 4.18 -3.227634348e-01 -3.227634348e-01 4.20 -3.084172282e-01 -3.084172282e-01 4.22 -2.946162850e-01 -2.946162850e-01 4.24 -2.813197978e-01 -2.813197978e-01 4.26 -2.684878620e-01 -2.684878620e-01 4.28 -2.560817958e-01 -2.560817958e-01 4.30 -2.440648346e-01 -2.440648346e-01 4.32 -2.324030822e-01 -2.324030822e-01 4.34 -2.210665536e-01 -2.210665536e-01 4.36 -2.100299893e-01 -2.100299893e-01 4.38 -1.992742854e-01 -1.992742854e-01 4.40 -1.887866414e-01 -1.887866414e-01 4.42 -1.785605388e-01 -1.785605388e-01 4.44 -1.685953986e-01 -1.685953986e-01 4.46 -1.588957454e-01 -1.588957454e-01 4.48 -1.494699525e-01 -1.494699525e-01 4.50 -1.403287015e-01 -1.403287015e-01 4.52 -1.314833405e-01 -1.314833405e-01 4.54 -1.229443491e-01 -1.229443491e-01 4.56 -1.147201043e-01 -1.147201043e-01 4.58 -1.068160939e-01 -1.068160939e-01 4.60 -9.923464669e-02 -9.923464669e-02 4.62 -9.197516534e-02 -9.197516534e-02 4.64 -8.503476592e-02 -8.503476592e-02 4.66 -7.840917391e-02 -7.840917391e-02 4.68 -7.209369907e-02 -7.209369907e-02 4.70 -6.608411741e-02 -6.608411741e-02 4.72 -6.037732108e-02 -6.037732108e-02 4.74 -5.497164625e-02 -5.497164625e-02 4.76 -4.986684827e-02 -4.986684827e-02 4.78 -4.506374952e-02 -4.506374952e-02 4.80 -4.056363352e-02 -4.056363352e-02 4.82 -3.636749127e-02 -3.636749127e-02 4.84 -3.247523546e-02 -3.247523546e-02 4.86 -2.888499548e-02 -2.888499548e-02 4.88 -2.559258107e-02 -2.559258107e-02 4.90 -2.259116973e-02 -2.259116973e-02 4.92 -1.987123370e-02 -1.987123370e-02 4.94 -1.742064555e-02 -1.742064555e-02 4.96 -1.522473632e-02 -1.522473632e-02 4.98 -1.326763531e-02 -1.326763531e-02 5.00 -1.153226147e-02 -1.153226147e-02 5.02 -1.000073199e-02 -1.000073199e-02 5.04 -8.654905553e-03 -8.654905553e-03 5.06 -7.476852567e-03 -7.476852567e-03 5.08 -6.449236741e-03 -6.449236741e-03 5.10 -5.555604075e-03 -5.555604075e-03 5.12 -4.780583576e-03 -4.780583576e-03 5.14 -4.110009612e-03 -4.110009612e-03 5.16 -3.530978629e-03 -3.530978629e-03 5.18 -3.031853786e-03 -3.031853786e-03 5.20 -2.602230488e-03 -2.602230488e-03 5.22 -2.232874349e-03 -2.232874349e-03 5.24 -1.915641327e-03 -1.915641327e-03 5.26 -1.643387819e-03 -1.643387819e-03 5.28 -1.409876710e-03 -1.409876710e-03 5.30 -1.209683773e-03 -1.209683773e-03 5.32 -1.038107472e-03 -1.038107472e-03 5.34 -8.910841745e-04 -8.910841745e-04 5.36 -7.651099196e-04 -7.651099196e-04 5.38 -6.571693088e-04 -6.571693088e-04 5.40 -5.646716282e-04 -5.646716282e-04 5.42 -4.853940144e-04 -4.853940144e-04 5.44 -4.174312822e-04 -4.174312822e-04 5.46 -3.591519198e-04 -3.591519198e-04 5.48 -3.091596968e-04 -3.091596968e-04 5.50 -2.662603188e-04 -2.662603188e-04 5.52 -2.294325703e-04 -2.294325703e-04 5.54 -1.978034185e-04 -1.978034185e-04 5.56 -1.706265871e-04 -1.706265871e-04 5.58 -1.472641566e-04 -1.472641566e-04 5.60 -1.271707883e-04 -1.271707883e-04 5.62 -1.098802185e-04 -1.098802185e-04 5.64 -9.499370748e-05 -9.499370748e-05 5.66 -8.217016980e-05 -8.217016980e-05 5.68 -7.111774673e-05 -7.111774673e-05 5.70 -6.158661337e-05 -6.158661337e-05 5.72 -5.336284206e-05 -5.336284206e-05 5.74 -4.626316788e-05 -4.626316788e-05 5.76 -4.013052430e-05 -4.013052430e-05 5.78 -3.483023566e-05 -3.483023566e-05 5.80 -3.024676958e-05 -3.024676958e-05 5.82 -2.628096669e-05 -2.628096669e-05 5.84 -2.284767697e-05 -2.284767697e-05 5.86 -1.987374249e-05 -1.987374249e-05 5.88 -1.729627536e-05 -1.729627536e-05 5.90 -1.506118708e-05 -1.506118708e-05 5.92 -1.312193222e-05 -1.312193222e-05 5.94 -1.143843467e-05 -1.143843467e-05 5.96 -9.976169634e-06 -9.976169634e-06 5.98 -8.705378297e-06 -8.705378297e-06 6.00 -7.600395843e-06 -7.600395843e-06