# 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 = Ag2FePb # 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 2.913360136e+02 2.913360136e+02 1.30 2.697377830e+02 2.697377830e+02 1.32 2.497790449e+02 2.497790449e+02 1.34 2.313262619e+02 2.313262619e+02 1.36 2.142556637e+02 2.142556637e+02 1.38 1.984536342e+02 1.984536342e+02 1.40 1.838168654e+02 1.838168654e+02 1.42 1.702520545e+02 1.702520545e+02 1.44 1.576750773e+02 1.576750773e+02 1.46 1.460098246e+02 1.460098246e+02 1.48 1.351870753e+02 1.351870753e+02 1.50 1.251435574e+02 1.251435574e+02 1.52 1.158211379e+02 1.158211379e+02 1.54 1.071660936e+02 1.071660936e+02 1.56 9.912857896e+01 9.912857896e+01 1.58 9.166237520e+01 9.166237520e+01 1.60 8.472483793e+01 8.472483793e+01 1.62 7.827688874e+01 7.827688874e+01 1.64 7.228295023e+01 7.228295023e+01 1.66 6.671652191e+01 6.671652191e+01 1.68 6.155338056e+01 6.155338056e+01 1.70 5.676530964e+01 5.676530964e+01 1.72 5.232516655e+01 5.232516655e+01 1.74 4.820736270e+01 4.820736270e+01 1.76 4.438782905e+01 4.438782905e+01 1.78 4.084408956e+01 4.084408956e+01 1.80 3.755536696e+01 3.755536696e+01 1.82 3.450265575e+01 3.450265575e+01 1.84 3.166869362e+01 3.166869362e+01 1.86 2.903781374e+01 2.903781374e+01 1.88 2.659572535e+01 2.659572535e+01 1.90 2.432926855e+01 2.432926855e+01 1.92 2.222620351e+01 2.222620351e+01 1.94 2.027505902e+01 2.027505902e+01 1.96 1.846504191e+01 1.846504191e+01 1.98 1.678600120e+01 1.678600120e+01 2.00 1.522841937e+01 1.522841937e+01 2.02 1.378341430e+01 1.378341430e+01 2.04 1.244274121e+01 1.244274121e+01 2.06 1.119879177e+01 1.119879177e+01 2.08 1.004458258e+01 1.004458258e+01 2.10 8.973729051e+00 8.973729051e+00 2.12 7.980398627e+00 7.980398627e+00 2.14 7.059249190e+00 7.059249190e+00 2.16 6.205365538e+00 6.205365538e+00 2.18 5.414203754e+00 5.414203754e+00 2.20 4.681547377e+00 4.681547377e+00 2.22 4.003477686e+00 4.003477686e+00 2.24 3.376351012e+00 3.376351012e+00 2.26 2.796779288e+00 2.796779288e+00 2.28 2.261606970e+00 2.261606970e+00 2.30 1.767893624e+00 1.767893624e+00 2.32 1.312887038e+00 1.312887038e+00 2.34 8.940089523e-01 8.940089523e-01 2.36 5.088367736e-01 5.088367736e-01 2.38 1.550937582e-01 1.550937582e-01 2.40 -1.693576978e-01 -1.693576978e-01 2.42 -4.665206707e-01 -4.665206707e-01 2.44 -7.382684856e-01 -7.382684856e-01 2.46 -9.863512361e-01 -9.863512361e-01 2.48 -1.212404556e+00 -1.212404556e+00 2.50 -1.417959989e+00 -1.417959989e+00 2.52 -1.604455853e+00 -1.604455853e+00 2.54 -1.773247532e+00 -1.773247532e+00 2.56 -1.925616466e+00 -1.925616466e+00 2.58 -2.062777020e+00 -2.062777020e+00 2.60 -2.185880149e+00 -2.185880149e+00 2.62 -2.296012821e+00 -2.296012821e+00 2.64 -2.394196852e+00 -2.394196852e+00 2.66 -2.481367601e+00 -2.481367601e+00 2.68 -2.558375578e+00 -2.558375578e+00 2.70 -2.625982532e+00 -2.625982532e+00 2.72 -2.684862426e+00 -2.684862426e+00 2.74 -2.735608383e+00 -2.735608383e+00 2.76 -2.778744027e+00 -2.778744027e+00 2.78 -2.814737140e+00 -2.814737140e+00 2.80 -2.844144091e+00 -2.844144091e+00 2.82 -2.867237759e+00 -2.867237759e+00 2.84 -2.884097945e+00 -2.884097945e+00 2.86 -2.894857314e+00 -2.894857314e+00 2.88 -2.899695058e+00 -2.899695058e+00 2.90 -2.898830242e+00 -2.898830242e+00 2.92 -2.892514875e+00 -2.892514875e+00 2.94 -2.881027152e+00 -2.881027152e+00 2.96 -2.864684197e+00 -2.864684197e+00 2.98 -2.843850342e+00 -2.843850342e+00 3.00 -2.818821442e+00 -2.818821442e+00 3.02 -2.789907648e+00 -2.789907648e+00 3.04 -2.757434978e+00 -2.757434978e+00 3.06 -2.721740625e+00 -2.721740625e+00 3.08 -2.683161935e+00 -2.683161935e+00 3.10 -2.642032034e+00 -2.642032034e+00 3.12 -2.598668494e+00 -2.598668494e+00 3.14 -2.553367360e+00 -2.553367360e+00 3.16 -2.506407623e+00 -2.506407623e+00 3.18 -2.458055276e+00 -2.458055276e+00 3.20 -2.408563730e+00 -2.408563730e+00 3.22 -2.358175732e+00 -2.358175732e+00 3.24 -2.307124933e+00 -2.307124933e+00 3.26 -2.255636452e+00 -2.255636452e+00 3.28 -2.203926216e+00 -2.203926216e+00 3.30 -2.152199194e+00 -2.152199194e+00 3.32 -2.100646848e+00 -2.100646848e+00 3.34 -2.049444236e+00 -2.049444236e+00 3.36 -1.998747202e+00 -1.998747202e+00 3.38 -1.948690091e+00 -1.948690091e+00 3.40 -1.899384134e+00 -1.899384134e+00 3.42 -1.850917919e+00 -1.850917919e+00 3.44 -1.803356810e+00 -1.803356810e+00 3.46 -1.756745596e+00 -1.756745596e+00 3.48 -1.711110712e+00 -1.711110712e+00 3.50 -1.666463158e+00 -1.666463158e+00 3.52 -1.622801605e+00 -1.622801605e+00 3.54 -1.580115443e+00 -1.580115443e+00 3.56 -1.538387592e+00 -1.538387592e+00 3.58 -1.497596992e+00 -1.497596992e+00 3.60 -1.457720700e+00 -1.457720700e+00 3.62 -1.418735599e+00 -1.418735599e+00 3.64 -1.380619703e+00 -1.380619703e+00 3.66 -1.343353068e+00 -1.343353068e+00 3.68 -1.306918308e+00 -1.306918308e+00 3.70 -1.271300714e+00 -1.271300714e+00 3.72 -1.236487994e+00 -1.236487994e+00 3.74 -1.202469696e+00 -1.202469696e+00 3.76 -1.169236391e+00 -1.169236391e+00 3.78 -1.136778754e+00 -1.136778754e+00 3.80 -1.105086704e+00 -1.105086704e+00 3.82 -1.074148715e+00 -1.074148715e+00 3.84 -1.043951422e+00 -1.043951422e+00 3.86 -1.014479520e+00 -1.014479520e+00 3.88 -9.857159570e-01 -9.857159570e-01 3.90 -9.576423056e-01 -9.576423056e-01 3.92 -9.302388213e-01 -9.302388213e-01 3.94 -9.034866581e-01 -9.034866581e-01 3.96 -8.773655297e-01 -8.773655297e-01 3.98 -8.518559447e-01 -8.518559447e-01 4.00 -8.269388950e-01 -8.269388950e-01 4.02 -8.025959707e-01 -8.025959707e-01 4.04 -7.788094247e-01 -7.788094247e-01 4.06 -7.555622222e-01 -7.555622222e-01 4.08 -7.328381117e-01 -7.328381117e-01 4.10 -7.106206641e-01 -7.106206641e-01 4.12 -6.888979697e-01 -6.888979697e-01 4.14 -6.676557867e-01 -6.676557867e-01 4.16 -6.468828391e-01 -6.468828391e-01 4.18 -6.265698404e-01 -6.265698404e-01 4.20 -6.067098356e-01 -6.067098356e-01 4.22 -5.872984901e-01 -5.872984901e-01 4.24 -5.683342658e-01 -5.683342658e-01 4.26 -5.498184282e-01 -5.498184282e-01 4.28 -5.317548315e-01 -5.317548315e-01 4.30 -5.141494565e-01 -5.141494565e-01 4.32 -4.970097007e-01 -4.970097007e-01 4.34 -4.803434635e-01 -4.803434635e-01 4.36 -4.641581041e-01 -4.641581041e-01 4.38 -4.484593761e-01 -4.484593761e-01 4.40 -4.332504557e-01 -4.332504557e-01 4.42 -4.185311688e-01 -4.185311688e-01 4.44 -4.042974919e-01 -4.042974919e-01 4.46 -3.905413623e-01 -3.905413623e-01 4.48 -3.772507863e-01 -3.772507863e-01 4.50 -3.644101996e-01 -3.644101996e-01 4.52 -3.520010089e-01 -3.520010089e-01 4.54 -3.400022369e-01 -3.400022369e-01 4.56 -3.283911972e-01 -3.283911972e-01 4.58 -3.171441439e-01 -3.171441439e-01 4.60 -3.062368559e-01 -3.062368559e-01 4.62 -2.956451390e-01 -2.956451390e-01 4.64 -2.853452442e-01 -2.853452442e-01 4.66 -2.753142109e-01 -2.753142109e-01 4.68 -2.655301520e-01 -2.655301520e-01 4.70 -2.559725020e-01 -2.559725020e-01 4.72 -2.466222458e-01 -2.466222458e-01 4.74 -2.374621444e-01 -2.374621444e-01 4.76 -2.284769703e-01 -2.284769703e-01 4.78 -2.196537548e-01 -2.196537548e-01 4.80 -2.109812813e-01 -2.109812813e-01 4.82 -2.024535257e-01 -2.024535257e-01 4.84 -1.940649217e-01 -1.940649217e-01 4.86 -1.858140229e-01 -1.858140229e-01 4.88 -1.777027133e-01 -1.777027133e-01 4.90 -1.697362195e-01 -1.697362195e-01 4.92 -1.619229820e-01 -1.619229820e-01 4.94 -1.542743634e-01 -1.542743634e-01 4.96 -1.468041816e-01 -1.468041816e-01 4.98 -1.395280745e-01 -1.395280745e-01 5.00 -1.324627235e-01 -1.324627235e-01 5.02 -1.256249804e-01 -1.256249804e-01 5.04 -1.190309646e-01 -1.190309646e-01 5.06 -1.126952026e-01 -1.126952026e-01 5.08 -1.066298772e-01 -1.066298772e-01 5.10 -1.008442491e-01 -1.008442491e-01 5.12 -9.534428306e-02 -9.534428306e-02 5.14 -9.013250429e-02 -9.013250429e-02 5.16 -8.520807109e-02 -8.520807109e-02 5.18 -8.056703129e-02 -8.056703129e-02 5.20 -7.620247714e-02 -7.620247714e-02 5.22 -7.210513243e-02 -7.210513243e-02 5.24 -6.826476091e-02 -6.826476091e-02 5.26 -6.466975487e-02 -6.466975487e-02 5.28 -6.130759215e-02 -6.130759215e-02 5.30 -5.816525738e-02 -5.816525738e-02 5.32 -5.522957304e-02 -5.522957304e-02 5.34 -5.248744472e-02 -5.248744472e-02 5.36 -4.992589231e-02 -4.992589231e-02 5.38 -4.753229673e-02 -4.753229673e-02 5.40 -4.529478951e-02 -4.529478951e-02 5.42 -4.320191390e-02 -4.320191390e-02 5.44 -4.124265729e-02 -4.124265729e-02 5.46 -3.940647961e-02 -3.940647961e-02 5.48 -3.768333416e-02 -3.768333416e-02 5.50 -3.606368386e-02 -3.606368386e-02 5.52 -3.453851384e-02 -3.453851384e-02 5.54 -3.309934019e-02 -3.309934019e-02 5.56 -3.173821432e-02 -3.173821432e-02 5.58 -3.044772238e-02 -3.044772238e-02 5.60 -2.922097958e-02 -2.922097958e-02 5.62 -2.805161965e-02 -2.805161965e-02 5.64 -2.693377974e-02 -2.693377974e-02 5.66 -2.586208258e-02 -2.586208258e-02 5.68 -2.483161635e-02 -2.483161635e-02 5.70 -2.383791375e-02 -2.383791375e-02 5.72 -2.287693147e-02 -2.287693147e-02 5.74 -2.194503100e-02 -2.194503100e-02 5.76 -2.103896175e-02 -2.103896175e-02 5.78 -2.015584695e-02 -2.015584695e-02 5.80 -1.929317281e-02 -1.929317281e-02 5.82 -1.844878073e-02 -1.844878073e-02 5.84 -1.762086245e-02 -1.762086245e-02 5.86 -1.680795741e-02 -1.680795741e-02 5.88 -1.600895146e-02 -1.600895146e-02 5.90 -1.522307567e-02 -1.522307567e-02 5.92 -1.444990382e-02 -1.444990382e-02 5.94 -1.368932956e-02 -1.368932956e-02 5.96 -1.294149373e-02 -1.294149373e-02 5.98 -1.220695427e-02 -1.220695427e-02 6.00 -1.148657556e-02 -1.148657556e-02