# 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 = AgMgPb2 # 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 3.741478713e+02 3.741478713e+02 1.30 3.486825555e+02 3.486825555e+02 1.32 3.250348407e+02 3.250348407e+02 1.34 3.030604963e+02 3.030604963e+02 1.36 2.826273979e+02 2.826273979e+02 1.38 2.636147333e+02 2.636147333e+02 1.40 2.459124068e+02 2.459124068e+02 1.42 2.294206059e+02 2.294206059e+02 1.44 2.140489988e+02 2.140489988e+02 1.46 1.997154571e+02 1.997154571e+02 1.48 1.863447630e+02 1.863447630e+02 1.50 1.738676588e+02 1.738676588e+02 1.52 1.622201849e+02 1.622201849e+02 1.54 1.513432195e+02 1.513432195e+02 1.56 1.411820618e+02 1.411820618e+02 1.58 1.316860980e+02 1.316860980e+02 1.60 1.228085143e+02 1.228085143e+02 1.62 1.145061200e+02 1.145061200e+02 1.64 1.067391787e+02 1.067391787e+02 1.66 9.947137022e+01 9.947137022e+01 1.68 9.267982469e+01 9.267982469e+01 1.70 8.633945066e+01 8.633945066e+01 1.72 8.041975346e+01 8.041975346e+01 1.74 7.489212366e+01 7.489212366e+01 1.76 6.972966198e+01 6.972966198e+01 1.78 6.490715328e+01 6.490715328e+01 1.80 6.040107930e+01 6.040107930e+01 1.82 5.618965241e+01 5.618965241e+01 1.84 5.225281083e+01 5.225281083e+01 1.86 4.857213977e+01 4.857213977e+01 1.88 4.513071630e+01 4.513071630e+01 1.90 4.191290177e+01 4.191290177e+01 1.92 3.890413829e+01 3.890413829e+01 1.94 3.609083282e+01 3.609083282e+01 1.96 3.346028417e+01 3.346028417e+01 1.98 3.100065049e+01 3.100065049e+01 2.00 2.870090199e+01 2.870090199e+01 2.02 2.655075008e+01 2.655075008e+01 2.04 2.454056878e+01 2.454056878e+01 2.06 2.266133839e+01 2.266133839e+01 2.08 2.090462361e+01 2.090462361e+01 2.10 1.926256079e+01 1.926256079e+01 2.12 1.772784820e+01 1.772784820e+01 2.14 1.629370731e+01 1.629370731e+01 2.16 1.495383305e+01 1.495383305e+01 2.18 1.370234079e+01 1.370234079e+01 2.20 1.253371827e+01 1.253371827e+01 2.22 1.144279201e+01 1.144279201e+01 2.24 1.042470405e+01 1.042470405e+01 2.26 9.474896253e+00 9.474896253e+00 2.28 8.589097769e+00 8.589097769e+00 2.30 7.763308871e+00 7.763308871e+00 2.32 6.993775731e+00 6.993775731e+00 2.34 6.276975984e+00 6.276975984e+00 2.36 5.609586536e+00 5.609586536e+00 2.38 4.988463194e+00 4.988463194e+00 2.40 4.410624314e+00 4.410624314e+00 2.42 3.873242739e+00 3.873242739e+00 2.44 3.373646506e+00 3.373646506e+00 2.46 2.909325162e+00 2.909325162e+00 2.48 2.477937227e+00 2.477937227e+00 2.50 2.077313803e+00 2.077313803e+00 2.52 1.705455478e+00 1.705455478e+00 2.54 1.360522335e+00 1.360522335e+00 2.56 1.040818854e+00 1.040818854e+00 2.58 7.447761630e-01 7.447761630e-01 2.60 4.709339371e-01 4.709339371e-01 2.62 2.179250211e-01 2.179250211e-01 2.64 -1.554242375e-02 -1.554242375e-02 2.66 -2.306868179e-01 -2.306868179e-01 2.68 -4.286640091e-01 -4.286640091e-01 2.70 -6.105685362e-01 -6.105685362e-01 2.72 -7.774349082e-01 -7.774349082e-01 2.74 -9.302385054e-01 -9.302385054e-01 2.76 -1.069896697e+00 -1.069896697e+00 2.78 -1.197269904e+00 -1.197269904e+00 2.80 -1.313165449e+00 -1.313165449e+00 2.82 -1.418336724e+00 -1.418336724e+00 2.84 -1.513487960e+00 -1.513487960e+00 2.86 -1.599276470e+00 -1.599276470e+00 2.88 -1.676315755e+00 -1.676315755e+00 2.90 -1.745199611e+00 -1.745199611e+00 2.92 -1.806537486e+00 -1.806537486e+00 2.94 -1.860766690e+00 -1.860766690e+00 2.96 -1.908291041e+00 -1.908291041e+00 2.98 -1.949502937e+00 -1.949502937e+00 3.00 -1.984785407e+00 -1.984785407e+00 3.02 -2.014513990e+00 -2.014513990e+00 3.04 -2.039057200e+00 -2.039057200e+00 3.06 -2.058780331e+00 -2.058780331e+00 3.08 -2.074040237e+00 -2.074040237e+00 3.10 -2.085192080e+00 -2.085192080e+00 3.12 -2.092583421e+00 -2.092583421e+00 3.14 -2.096611881e+00 -2.096611881e+00 3.16 -2.097560353e+00 -2.097560353e+00 3.18 -2.095664734e+00 -2.095664734e+00 3.20 -2.091155602e+00 -2.091155602e+00 3.22 -2.084254026e+00 -2.084254026e+00 3.24 -2.075168078e+00 -2.075168078e+00 3.26 -2.064090377e+00 -2.064090377e+00 3.28 -2.051196943e+00 -2.051196943e+00 3.30 -2.036644990e+00 -2.036644990e+00 3.32 -2.020562134e+00 -2.020562134e+00 3.34 -2.003061981e+00 -2.003061981e+00 3.36 -1.984261710e+00 -1.984261710e+00 3.38 -1.964248468e+00 -1.964248468e+00 3.40 -1.943103572e+00 -1.943103572e+00 3.42 -1.920908135e+00 -1.920908135e+00 3.44 -1.897740846e+00 -1.897740846e+00 3.46 -1.873679412e+00 -1.873679412e+00 3.48 -1.848799882e+00 -1.848799882e+00 3.50 -1.823176351e+00 -1.823176351e+00 3.52 -1.796880590e+00 -1.796880590e+00 3.54 -1.769976212e+00 -1.769976212e+00 3.56 -1.742509735e+00 -1.742509735e+00 3.58 -1.714526798e+00 -1.714526798e+00 3.60 -1.686074927e+00 -1.686074927e+00 3.62 -1.657203494e+00 -1.657203494e+00 3.64 -1.627963859e+00 -1.627963859e+00 3.66 -1.598409567e+00 -1.598409567e+00 3.68 -1.568596445e+00 -1.568596445e+00 3.70 -1.538582469e+00 -1.538582469e+00 3.72 -1.508427262e+00 -1.508427262e+00 3.74 -1.478191217e+00 -1.478191217e+00 3.76 -1.447934266e+00 -1.447934266e+00 3.78 -1.417714466e+00 -1.417714466e+00 3.80 -1.387586584e+00 -1.387586584e+00 3.82 -1.357600907e+00 -1.357600907e+00 3.84 -1.327802426e+00 -1.327802426e+00 3.86 -1.298230470e+00 -1.298230470e+00 3.88 -1.268918753e+00 -1.268918753e+00 3.90 -1.239895747e+00 -1.239895747e+00 3.92 -1.211184407e+00 -1.211184407e+00 3.94 -1.182806329e+00 -1.182806329e+00 3.96 -1.154776821e+00 -1.154776821e+00 3.98 -1.127109358e+00 -1.127109358e+00 4.00 -1.099815009e+00 -1.099815009e+00 4.02 -1.072902808e+00 -1.072902808e+00 4.04 -1.046380057e+00 -1.046380057e+00 4.06 -1.020252566e+00 -1.020252566e+00 4.08 -9.945248608e-01 -9.945248608e-01 4.10 -9.691981801e-01 -9.691981801e-01 4.12 -9.442798829e-01 -9.442798829e-01 4.14 -9.197691977e-01 -9.197691977e-01 4.16 -8.956676253e-01 -8.956676253e-01 4.18 -8.719765226e-01 -8.719765226e-01 4.20 -8.486973826e-01 -8.486973826e-01 4.22 -8.258321027e-01 -8.258321027e-01 4.24 -8.033832123e-01 -8.033832123e-01 4.26 -7.813540265e-01 -7.813540265e-01 4.28 -7.597486956e-01 -7.597486956e-01 4.30 -7.385721261e-01 -7.385721261e-01 4.32 -7.178297626e-01 -7.178297626e-01 4.34 -6.975272413e-01 -6.975272413e-01 4.36 -6.776699437e-01 -6.776699437e-01 4.38 -6.582624981e-01 -6.582624981e-01 4.40 -6.393082864e-01 -6.393082864e-01 4.42 -6.208090131e-01 -6.208090131e-01 4.44 -6.027643841e-01 -6.027643841e-01 4.46 -5.851719232e-01 -5.851719232e-01 4.48 -5.680269335e-01 -5.680269335e-01 4.50 -5.513225914e-01 -5.513225914e-01 4.52 -5.350501439e-01 -5.350501439e-01 4.54 -5.191991778e-01 -5.191991778e-01 4.56 -5.037579236e-01 -5.037579236e-01 4.58 -4.887135663e-01 -4.887135663e-01 4.60 -4.740525423e-01 -4.740525423e-01 4.62 -4.597608098e-01 -4.597608098e-01 4.64 -4.458240887e-01 -4.458240887e-01 4.66 -4.322280718e-01 -4.322280718e-01 4.68 -4.189586127e-01 -4.189586127e-01 4.70 -4.060018977e-01 -4.060018977e-01 4.72 -3.933446086e-01 -3.933446086e-01 4.74 -3.809740836e-01 -3.809740836e-01 4.76 -3.688784786e-01 -3.688784786e-01 4.78 -3.570469315e-01 -3.570469315e-01 4.80 -3.454680572e-01 -3.454680572e-01 4.82 -3.341370546e-01 -3.341370546e-01 4.84 -3.230449887e-01 -3.230449887e-01 4.86 -3.121864867e-01 -3.121864867e-01 4.88 -3.015578306e-01 -3.015578306e-01 4.90 -2.911569842e-01 -2.911569842e-01 4.92 -2.809835518e-01 -2.809835518e-01 4.94 -2.710386583e-01 -2.710386583e-01 4.96 -2.613247467e-01 -2.613247467e-01 4.98 -2.518452967e-01 -2.518452967e-01 5.00 -2.426044806e-01 -2.426044806e-01 5.02 -2.336067775e-01 -2.336067775e-01 5.04 -2.248565786e-01 -2.248565786e-01 5.06 -2.163578169e-01 -2.163578169e-01 5.08 -2.081136543e-01 -2.081136543e-01 5.10 -2.001262522e-01 -2.001262522e-01 5.12 -1.923966414e-01 -1.923966414e-01 5.14 -1.849246933e-01 -1.849246933e-01 5.16 -1.777091812e-01 -1.777091812e-01 5.18 -1.707479121e-01 -1.707479121e-01 5.20 -1.640378979e-01 -1.640378979e-01 5.22 -1.575755400e-01 -1.575755400e-01 5.24 -1.513567907e-01 -1.513567907e-01 5.26 -1.453772839e-01 -1.453772839e-01 5.28 -1.396324144e-01 -1.396324144e-01 5.30 -1.341173648e-01 -1.341173648e-01 5.32 -1.288270874e-01 -1.288270874e-01 5.34 -1.237562547e-01 -1.237562547e-01 5.36 -1.188991912e-01 -1.188991912e-01 5.38 -1.142498061e-01 -1.142498061e-01 5.40 -1.098015419e-01 -1.098015419e-01 5.42 -1.055473470e-01 -1.055473470e-01 5.44 -1.014796773e-01 -1.014796773e-01 5.46 -9.759052743e-02 -9.759052743e-02 5.48 -9.387148722e-02 -9.387148722e-02 5.50 -9.031381809e-02 -9.031381809e-02 5.52 -8.690854200e-02 -8.690854200e-02 5.54 -8.364641420e-02 -8.364641420e-02 5.56 -8.051802658e-02 -8.051802658e-02 5.58 -7.751438195e-02 -7.751438195e-02 5.60 -7.462658664e-02 -7.462658664e-02 5.62 -7.184591799e-02 -7.184591799e-02 5.64 -6.916390084e-02 -6.916390084e-02 5.66 -6.657237272e-02 -6.657237272e-02 5.68 -6.406353879e-02 -6.406353879e-02 5.70 -6.163001779e-02 -6.163001779e-02 5.72 -5.926488066e-02 -5.926488066e-02 5.74 -5.696168345e-02 -5.696168345e-02 5.76 -5.471449629e-02 -5.471449629e-02 5.78 -5.251792998e-02 -5.251792998e-02 5.80 -5.036716129e-02 -5.036716129e-02 5.82 -4.825795794e-02 -4.825795794e-02 5.84 -4.618670344e-02 -4.618670344e-02 5.86 -4.415042133e-02 -4.415042133e-02 5.88 -4.214679790e-02 -4.214679790e-02 5.90 -4.017420142e-02 -4.017420142e-02 5.92 -3.823169564e-02 -3.823169564e-02 5.94 -3.631904507e-02 -3.631904507e-02 5.96 -3.443670931e-02 -3.443670931e-02 5.98 -3.258581730e-02 -3.258581730e-02 6.00 -3.076813056e-02 -3.076813056e-02