# 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 = AgPb2Pd # 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 3.707931960e+02 3.707931960e+02 1.30 3.458599182e+02 3.458599182e+02 1.32 3.226750962e+02 3.226750962e+02 1.34 3.011014672e+02 3.011014672e+02 1.36 2.810125339e+02 2.810125339e+02 1.38 2.622922668e+02 2.622922668e+02 1.40 2.448353673e+02 2.448353673e+02 1.42 2.285471246e+02 2.285471246e+02 1.44 2.133423535e+02 2.133423535e+02 1.46 1.991438149e+02 1.991438149e+02 1.48 1.858806883e+02 1.858806883e+02 1.50 1.734872932e+02 1.734872932e+02 1.52 1.619021403e+02 1.619021403e+02 1.54 1.510675435e+02 1.510675435e+02 1.56 1.409297058e+02 1.409297058e+02 1.58 1.314389726e+02 1.314389726e+02 1.60 1.225498864e+02 1.225498864e+02 1.62 1.142209444e+02 1.142209444e+02 1.64 1.064141436e+02 1.064141436e+02 1.66 9.909455973e+01 9.909455973e+01 1.68 9.223000976e+01 9.223000976e+01 1.70 8.579741924e+01 8.579741924e+01 1.72 7.979319948e+01 7.979319948e+01 1.74 7.419084135e+01 7.419084135e+01 1.76 6.896232136e+01 6.896232136e+01 1.78 6.408143300e+01 6.408143300e+01 1.80 5.952379200e+01 5.952379200e+01 1.82 5.526680529e+01 5.526680529e+01 1.84 5.128963546e+01 5.128963546e+01 1.86 4.757314550e+01 4.757314550e+01 1.88 4.409984180e+01 4.409984180e+01 1.90 4.085376020e+01 4.085376020e+01 1.92 3.782028283e+01 3.782028283e+01 1.94 3.498593077e+01 3.498593077e+01 1.96 3.233816317e+01 3.233816317e+01 1.98 2.986522426e+01 2.986522426e+01 2.00 2.755603467e+01 2.755603467e+01 2.02 2.540011853e+01 2.540011853e+01 2.04 2.338755478e+01 2.338755478e+01 2.06 2.150895601e+01 2.150895601e+01 2.08 1.975547570e+01 1.975547570e+01 2.10 1.811882300e+01 1.811882300e+01 2.12 1.659127968e+01 1.659127968e+01 2.14 1.516569286e+01 1.516569286e+01 2.16 1.383544720e+01 1.383544720e+01 2.18 1.259442268e+01 1.259442268e+01 2.20 1.143694322e+01 1.143694322e+01 2.22 1.035773304e+01 1.035773304e+01 2.24 9.351878452e+00 9.351878452e+00 2.26 8.414796345e+00 8.414796345e+00 2.28 7.542207862e+00 7.542207862e+00 2.30 6.730108555e+00 6.730108555e+00 2.32 5.974738168e+00 5.974738168e+00 2.34 5.272557385e+00 5.272557385e+00 2.36 4.620217360e+00 4.620217360e+00 2.38 4.014540229e+00 4.014540229e+00 2.40 3.452506611e+00 3.452506611e+00 2.42 2.931252638e+00 2.931252638e+00 2.44 2.448073294e+00 2.448073294e+00 2.46 2.000429154e+00 2.000429154e+00 2.48 1.585950208e+00 1.585950208e+00 2.50 1.202434375e+00 1.202434375e+00 2.52 8.478406824e-01 8.478406824e-01 2.54 5.202791041e-01 5.202791041e-01 2.56 2.179991457e-01 2.179991457e-01 2.58 -6.062195448e-02 -6.062195448e-02 2.60 -3.170913622e-01 -3.170913622e-01 2.62 -5.528120196e-01 -5.528120196e-01 2.64 -7.690981899e-01 -7.690981899e-01 2.66 -9.671790156e-01 -9.671790156e-01 2.68 -1.148210522e+00 -1.148210522e+00 2.70 -1.313357121e+00 -1.313357121e+00 2.72 -1.463887597e+00 -1.463887597e+00 2.74 -1.600651778e+00 -1.600651778e+00 2.76 -1.724429079e+00 -1.724429079e+00 2.78 -1.835966716e+00 -1.835966716e+00 2.80 -1.935981699e+00 -1.935981699e+00 2.82 -2.025160828e+00 -2.025160828e+00 2.84 -2.104164963e+00 -2.104164963e+00 2.86 -2.173631974e+00 -2.173631974e+00 2.88 -2.234187873e+00 -2.234187873e+00 2.90 -2.286471220e+00 -2.286471220e+00 2.92 -2.331103402e+00 -2.331103402e+00 2.94 -2.368737446e+00 -2.368737446e+00 2.96 -2.399950740e+00 -2.399950740e+00 2.98 -2.425189057e+00 -2.425189057e+00 3.00 -2.444876168e+00 -2.444876168e+00 3.02 -2.459412351e+00 -2.459412351e+00 3.04 -2.469174421e+00 -2.469174421e+00 3.06 -2.474520815e+00 -2.474520815e+00 3.08 -2.475790488e+00 -2.475790488e+00 3.10 -2.473308747e+00 -2.473308747e+00 3.12 -2.467390369e+00 -2.467390369e+00 3.14 -2.458346615e+00 -2.458346615e+00 3.16 -2.446471450e+00 -2.446471450e+00 3.18 -2.432074606e+00 -2.432074606e+00 3.20 -2.415457765e+00 -2.415457765e+00 3.22 -2.396806177e+00 -2.396806177e+00 3.24 -2.376293996e+00 -2.376293996e+00 3.26 -2.354084788e+00 -2.354084788e+00 3.28 -2.330328834e+00 -2.330328834e+00 3.30 -2.305162341e+00 -2.305162341e+00 3.32 -2.278708366e+00 -2.278708366e+00 3.34 -2.251078737e+00 -2.251078737e+00 3.36 -2.222371564e+00 -2.222371564e+00 3.38 -2.192664673e+00 -2.192664673e+00 3.40 -2.162033306e+00 -2.162033306e+00 3.42 -2.130554511e+00 -2.130554511e+00 3.44 -2.098305210e+00 -2.098305210e+00 3.46 -2.065362944e+00 -2.065362944e+00 3.48 -2.031804675e+00 -2.031804675e+00 3.50 -1.997705849e+00 -1.997705849e+00 3.52 -1.963139514e+00 -1.963139514e+00 3.54 -1.928175622e+00 -1.928175622e+00 3.56 -1.892880583e+00 -1.892880583e+00 3.58 -1.857317116e+00 -1.857317116e+00 3.60 -1.821544385e+00 -1.821544385e+00 3.62 -1.785618393e+00 -1.785618393e+00 3.64 -1.749592541e+00 -1.749592541e+00 3.66 -1.713518252e+00 -1.713518252e+00 3.68 -1.677445515e+00 -1.677445515e+00 3.70 -1.641423228e+00 -1.641423228e+00 3.72 -1.605499211e+00 -1.605499211e+00 3.74 -1.569719861e+00 -1.569719861e+00 3.76 -1.534129486e+00 -1.534129486e+00 3.78 -1.498769439e+00 -1.498769439e+00 3.80 -1.463677250e+00 -1.463677250e+00 3.82 -1.428885939e+00 -1.428885939e+00 3.84 -1.394423687e+00 -1.394423687e+00 3.86 -1.360313905e+00 -1.360313905e+00 3.88 -1.326575711e+00 -1.326575711e+00 3.90 -1.293224704e+00 -1.293224704e+00 3.92 -1.260273180e+00 -1.260273180e+00 3.94 -1.227734143e+00 -1.227734143e+00 3.96 -1.195617470e+00 -1.195617470e+00 3.98 -1.163934043e+00 -1.163934043e+00 4.00 -1.132695496e+00 -1.132695496e+00 4.02 -1.101914668e+00 -1.101914668e+00 4.04 -1.071605850e+00 -1.071605850e+00 4.06 -1.041784838e+00 -1.041784838e+00 4.08 -1.012468755e+00 -1.012468755e+00 4.10 -9.836736899e-01 -9.836736899e-01 4.12 -9.554222669e-01 -9.554222669e-01 4.14 -9.277299857e-01 -9.277299857e-01 4.16 -9.006133807e-01 -9.006133807e-01 4.18 -8.740867613e-01 -8.740867613e-01 4.20 -8.481614610e-01 -8.481614610e-01 4.22 -8.228452940e-01 -8.228452940e-01 4.24 -7.981422721e-01 -7.981422721e-01 4.26 -7.740525853e-01 -7.740525853e-01 4.28 -7.505728022e-01 -7.505728022e-01 4.30 -7.276962170e-01 -7.276962170e-01 4.32 -7.054132575e-01 -7.054132575e-01 4.34 -6.837118810e-01 -6.837118810e-01 4.36 -6.625779134e-01 -6.625779134e-01 4.38 -6.419953163e-01 -6.419953163e-01 4.40 -6.219463999e-01 -6.219463999e-01 4.42 -6.024120129e-01 -6.024120129e-01 4.44 -5.833717482e-01 -5.833717482e-01 4.46 -5.648041976e-01 -5.648041976e-01 4.48 -5.466872737e-01 -5.466872737e-01 4.50 -5.289986050e-01 -5.289986050e-01 4.52 -5.117159966e-01 -5.117159966e-01 4.54 -4.948179408e-01 -4.948179408e-01 4.56 -4.782841556e-01 -4.782841556e-01 4.58 -4.620961297e-01 -4.620961297e-01 4.60 -4.462376462e-01 -4.462376462e-01 4.62 -4.306952588e-01 -4.306952588e-01 4.64 -4.154586899e-01 -4.154586899e-01 4.66 -4.005211171e-01 -4.005211171e-01 4.68 -3.858793166e-01 -3.858793166e-01 4.70 -3.715336321e-01 -3.715336321e-01 4.72 -3.574877508e-01 -3.574877508e-01 4.74 -3.437482816e-01 -3.437482816e-01 4.76 -3.303241511e-01 -3.303241511e-01 4.78 -3.172258585e-01 -3.172258585e-01 4.80 -3.044631488e-01 -3.044631488e-01 4.82 -2.920504099e-01 -2.920504099e-01 4.84 -2.799961665e-01 -2.799961665e-01 4.86 -2.683092356e-01 -2.683092356e-01 4.88 -2.569964988e-01 -2.569964988e-01 4.90 -2.460626545e-01 -2.460626545e-01 4.92 -2.355101587e-01 -2.355101587e-01 4.94 -2.253393185e-01 -2.253393185e-01 4.96 -2.155484878e-01 -2.155484878e-01 4.98 -2.061343112e-01 -2.061343112e-01 5.00 -1.970919702e-01 -1.970919702e-01 5.02 -1.884154012e-01 -1.884154012e-01 5.04 -1.800974715e-01 -1.800974715e-01 5.06 -1.721301177e-01 -1.721301177e-01 5.08 -1.645044613e-01 -1.645044613e-01 5.10 -1.572109223e-01 -1.572109223e-01 5.12 -1.502393411e-01 -1.502393411e-01 5.14 -1.435791269e-01 -1.435791269e-01 5.16 -1.372194325e-01 -1.372194325e-01 5.18 -1.311493398e-01 -1.311493398e-01 5.20 -1.253580434e-01 -1.253580434e-01 5.22 -1.198350075e-01 -1.198350075e-01 5.24 -1.145700813e-01 -1.145700813e-01 5.26 -1.095535634e-01 -1.095535634e-01 5.28 -1.047762076e-01 -1.047762076e-01 5.30 -1.002291715e-01 -1.002291715e-01 5.32 -9.590391847e-02 -9.590391847e-02 5.34 -9.179137980e-02 -9.179137980e-02 5.36 -8.788316547e-02 -8.788316547e-02 5.38 -8.417141368e-02 -8.417141368e-02 5.40 -8.064790902e-02 -8.064790902e-02 5.42 -7.730406262e-02 -7.730406262e-02 5.44 -7.413092457e-02 -7.413092457e-02 5.46 -7.111922879e-02 -7.111922879e-02 5.48 -6.825946614e-02 -6.825946614e-02 5.50 -6.554197789e-02 -6.554197789e-02 5.52 -6.295706086e-02 -6.295706086e-02 5.54 -6.049507535e-02 -6.049507535e-02 5.56 -5.814654816e-02 -5.814654816e-02 5.58 -5.590226522e-02 -5.590226522e-02 5.60 -5.375335022e-02 -5.375335022e-02 5.62 -5.169132760e-02 -5.169132760e-02 5.64 -4.970817027e-02 -4.970817027e-02 5.66 -4.779633341e-02 -4.779633341e-02 5.68 -4.594877654e-02 -4.594877654e-02 5.70 -4.415897671e-02 -4.415897671e-02 5.72 -4.242093546e-02 -4.242093546e-02 5.74 -4.072918229e-02 -4.072918229e-02 5.76 -3.907877679e-02 -3.907877679e-02 5.78 -3.746531147e-02 -3.746531147e-02 5.80 -3.588491533e-02 -3.588491533e-02 5.82 -3.433426086e-02 -3.433426086e-02 5.84 -3.281057289e-02 -3.281057289e-02 5.86 -3.131163898e-02 -3.131163898e-02 5.88 -2.983582002e-02 -2.983582002e-02 5.90 -2.838205906e-02 -2.838205906e-02 5.92 -2.694988618e-02 -2.694988618e-02 5.94 -2.553941641e-02 -2.553941641e-02 5.96 -2.415133811e-02 -2.415133811e-02 5.98 -2.278688950e-02 -2.278688950e-02 6.00 -2.144781901e-02 -2.144781901e-02