# 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 = AgCuW2 # 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 3.251798274e+02 3.251798274e+02 1.30 3.000254625e+02 3.000254625e+02 1.32 2.768459217e+02 2.768459217e+02 1.34 2.554710863e+02 2.554710863e+02 1.36 2.357416495e+02 2.357416495e+02 1.38 2.175106111e+02 2.175106111e+02 1.40 2.006456196e+02 2.006456196e+02 1.42 1.850302856e+02 1.850302856e+02 1.44 1.705633194e+02 1.705633194e+02 1.46 1.571559093e+02 1.571559093e+02 1.48 1.447288086e+02 1.447288086e+02 1.50 1.332103049e+02 1.332103049e+02 1.52 1.225351950e+02 1.225351950e+02 1.54 1.126441627e+02 1.126441627e+02 1.56 1.034830624e+02 1.034830624e+02 1.58 9.500210183e+01 9.500210183e+01 1.60 8.715513277e+01 8.715513277e+01 1.62 7.989910955e+01 7.989910955e+01 1.64 7.319362227e+01 7.319362227e+01 1.66 6.700044685e+01 6.700044685e+01 1.68 6.128316116e+01 6.128316116e+01 1.70 5.600688073e+01 5.600688073e+01 1.72 5.113810372e+01 5.113810372e+01 1.74 4.664464184e+01 4.664464184e+01 1.76 4.249566863e+01 4.249566863e+01 1.78 3.866208333e+01 3.866208333e+01 1.80 3.511784669e+01 3.511784669e+01 1.82 3.183836098e+01 3.183836098e+01 1.84 2.880153284e+01 2.880153284e+01 1.86 2.598820560e+01 2.598820560e+01 1.88 2.338302782e+01 2.338302782e+01 1.90 2.097226203e+01 2.097226203e+01 1.92 1.874325542e+01 1.874325542e+01 1.94 1.668455584e+01 1.668455584e+01 1.96 1.478548440e+01 1.478548440e+01 1.98 1.303586554e+01 1.303586554e+01 2.00 1.142588261e+01 1.142588261e+01 2.02 9.946004662e+00 9.946004662e+00 2.04 8.586941302e+00 8.586941302e+00 2.06 7.339610380e+00 7.339610380e+00 2.08 6.195128147e+00 6.195128147e+00 2.10 5.144843262e+00 5.144843262e+00 2.12 4.180428124e+00 4.180428124e+00 2.14 3.294018799e+00 3.294018799e+00 2.16 2.478371295e+00 2.478371295e+00 2.18 1.726990801e+00 1.726990801e+00 2.20 1.034197474e+00 1.034197474e+00 2.22 3.951130983e-01 3.951130983e-01 2.24 -1.944231468e-01 -1.944231468e-01 2.26 -7.379845062e-01 -7.379845062e-01 2.28 -1.238700407e+00 -1.238700407e+00 2.30 -1.699385325e+00 -1.699385325e+00 2.32 -2.122632844e+00 -2.122632844e+00 2.34 -2.510867742e+00 -2.510867742e+00 2.36 -2.866360610e+00 -2.866360610e+00 2.38 -3.191061554e+00 -3.191061554e+00 2.40 -3.486996916e+00 -3.486996916e+00 2.42 -3.756173676e+00 -3.756173676e+00 2.44 -4.000415278e+00 -4.000415278e+00 2.46 -4.221389825e+00 -4.221389825e+00 2.48 -4.420633616e+00 -4.420633616e+00 2.50 -4.599567568e+00 -4.599567568e+00 2.52 -4.759478372e+00 -4.759478372e+00 2.54 -4.901142313e+00 -4.901142313e+00 2.56 -5.025024779e+00 -5.025024779e+00 2.58 -5.131637243e+00 -5.131637243e+00 2.60 -5.221528836e+00 -5.221528836e+00 2.62 -5.295274989e+00 -5.295274989e+00 2.64 -5.353469420e+00 -5.353469420e+00 2.66 -5.396717402e+00 -5.396717402e+00 2.68 -5.425629741e+00 -5.425629741e+00 2.70 -5.440817521e+00 -5.440817521e+00 2.72 -5.442887678e+00 -5.442887678e+00 2.74 -5.432439262e+00 -5.432439262e+00 2.76 -5.410060708e+00 -5.410060708e+00 2.78 -5.376329273e+00 -5.376329273e+00 2.80 -5.331814334e+00 -5.331814334e+00 2.82 -5.277085894e+00 -5.277085894e+00 2.84 -5.212728582e+00 -5.212728582e+00 2.86 -5.139360028e+00 -5.139360028e+00 2.88 -5.057651359e+00 -5.057651359e+00 2.90 -4.968354786e+00 -4.968354786e+00 2.92 -4.872500328e+00 -4.872500328e+00 2.94 -4.770929065e+00 -4.770929065e+00 2.96 -4.664460705e+00 -4.664460705e+00 2.98 -4.554024192e+00 -4.554024192e+00 3.00 -4.440620342e+00 -4.440620342e+00 3.02 -4.325274532e+00 -4.325274532e+00 3.04 -4.208983555e+00 -4.208983555e+00 3.06 -4.092662292e+00 -4.092662292e+00 3.08 -3.977108525e+00 -3.977108525e+00 3.10 -3.863050736e+00 -3.863050736e+00 3.12 -3.750989899e+00 -3.750989899e+00 3.14 -3.641059511e+00 -3.641059511e+00 3.16 -3.533227614e+00 -3.533227614e+00 3.18 -3.427319525e+00 -3.427319525e+00 3.20 -3.323046257e+00 -3.323046257e+00 3.22 -3.220037799e+00 -3.220037799e+00 3.24 -3.117885536e+00 -3.117885536e+00 3.26 -3.016185474e+00 -3.016185474e+00 3.28 -2.914555176e+00 -2.914555176e+00 3.30 -2.812661155e+00 -2.812661155e+00 3.32 -2.710244918e+00 -2.710244918e+00 3.34 -2.607144612e+00 -2.607144612e+00 3.36 -2.503311487e+00 -2.503311487e+00 3.38 -2.398820247e+00 -2.398820247e+00 3.40 -2.293872324e+00 -2.293872324e+00 3.42 -2.188791258e+00 -2.188791258e+00 3.44 -2.084009826e+00 -2.084009826e+00 3.46 -1.980049223e+00 -1.980049223e+00 3.48 -1.877491485e+00 -1.877491485e+00 3.50 -1.776947219e+00 -1.776947219e+00 3.52 -1.679021390e+00 -1.679021390e+00 3.54 -1.584280313e+00 -1.584280313e+00 3.56 -1.493222832e+00 -1.493222832e+00 3.58 -1.406258120e+00 -1.406258120e+00 3.60 -1.323691599e+00 -1.323691599e+00 3.62 -1.245719411e+00 -1.245719411e+00 3.64 -1.172430834e+00 -1.172430834e+00 3.66 -1.103817283e+00 -1.103817283e+00 3.68 -1.039786050e+00 -1.039786050e+00 3.70 -9.801768253e-01 -9.801768253e-01 3.72 -9.247791386e-01 -9.247791386e-01 3.74 -8.733492158e-01 -8.733492158e-01 3.76 -8.256250840e-01 -8.256250840e-01 3.78 -7.813391881e-01 -7.813391881e-01 3.80 -7.402281314e-01 -7.402281314e-01 3.82 -7.020394779e-01 -7.020394779e-01 3.84 -6.665358121e-01 -6.665358121e-01 3.86 -6.334964666e-01 -6.334964666e-01 3.88 -6.027174682e-01 -6.027174682e-01 3.90 -5.740103226e-01 -5.740103226e-01 3.92 -5.472002342e-01 -5.472002342e-01 3.94 -5.221242634e-01 -5.221242634e-01 3.96 -4.986297565e-01 -4.986297565e-01 3.98 -4.765732249e-01 -4.765732249e-01 4.00 -4.558196864e-01 -4.558196864e-01 4.02 -4.362423833e-01 -4.362423833e-01 4.04 -4.177227454e-01 -4.177227454e-01 4.06 -4.001504664e-01 -4.001504664e-01 4.08 -3.834235935e-01 -3.834235935e-01 4.10 -3.674485714e-01 -3.674485714e-01 4.12 -3.521402368e-01 -3.521402368e-01 4.14 -3.374217559e-01 -3.374217559e-01 4.16 -3.232244425e-01 -3.232244425e-01 4.18 -3.094877259e-01 -3.094877259e-01 4.20 -2.961597079e-01 -2.961597079e-01 4.22 -2.831965766e-01 -2.831965766e-01 4.24 -2.705627084e-01 -2.705627084e-01 4.26 -2.582307873e-01 -2.582307873e-01 4.28 -2.461818570e-01 -2.461818570e-01 4.30 -2.344052554e-01 -2.344052554e-01 4.32 -2.228983704e-01 -2.228983704e-01 4.34 -2.116661560e-01 -2.116661560e-01 4.36 -2.007203592e-01 -2.007203592e-01 4.38 -1.900784269e-01 -1.900784269e-01 4.40 -1.797620947e-01 -1.797620947e-01 4.42 -1.697957013e-01 -1.697957013e-01 4.44 -1.602043074e-01 -1.602043074e-01 4.46 -1.510117451e-01 -1.510117451e-01 4.48 -1.422386110e-01 -1.422386110e-01 4.50 -1.339008894e-01 -1.339008894e-01 4.52 -1.260086910e-01 -1.260086910e-01 4.54 -1.185652869e-01 -1.185652869e-01 4.56 -1.115668661e-01 -1.115668661e-01 4.58 -1.050027907e-01 -1.050027907e-01 4.60 -9.885627694e-02 -9.885627694e-02 4.62 -9.310539332e-02 -9.310539332e-02 4.64 -8.772424764e-02 -8.772424764e-02 4.66 -8.268424365e-02 -8.268424365e-02 4.68 -7.795530448e-02 -7.795530448e-02 4.70 -7.350698985e-02 -7.350698985e-02 4.72 -6.930946303e-02 -6.930946303e-02 4.74 -6.533429002e-02 -6.533429002e-02 4.76 -6.155507288e-02 -6.155507288e-02 4.78 -5.794793134e-02 -5.794793134e-02 4.80 -5.449185165e-02 -5.449185165e-02 4.82 -5.116892539e-02 -5.116892539e-02 4.84 -4.796448414e-02 -4.796448414e-02 4.86 -4.486715229e-02 -4.486715229e-02 4.88 -4.186881115e-02 -4.186881115e-02 4.90 -3.896447695e-02 -3.896447695e-02 4.92 -3.615208825e-02 -3.615208825e-02 4.94 -3.343219975e-02 -3.343219975e-02 4.96 -3.080758304e-02 -3.080758304e-02 4.98 -2.828274442e-02 -2.828274442e-02 5.00 -2.586337722e-02 -2.586337722e-02 5.02 -2.355577580e-02 -2.355577580e-02 5.04 -2.136624597e-02 -2.136624597e-02 5.06 -1.930055080e-02 -1.930055080e-02 5.08 -1.736337861e-02 -1.736337861e-02 5.10 -1.555781212e-02 -1.555781212e-02 5.12 -1.388565078e-02 -1.388565078e-02 5.14 -1.234693412e-02 -1.234693412e-02 5.16 -1.093988259e-02 -1.093988259e-02 5.18 -9.661021977e-03 -9.661021977e-03 5.20 -8.505393162e-03 -8.505393162e-03 5.22 -7.466818297e-03 -7.466818297e-03 5.24 -6.538194728e-03 -6.538194728e-03 5.26 -5.711791295e-03 -5.711791295e-03 5.28 -4.979527001e-03 -4.979527001e-03 5.30 -4.333218068e-03 -4.333218068e-03 5.32 -3.764785305e-03 -3.764785305e-03 5.34 -3.266418729e-03 -3.266418729e-03 5.36 -2.830700318e-03 -2.830700318e-03 5.38 -2.450688445e-03 -2.450688445e-03 5.40 -2.119969091e-03 -2.119969091e-03 5.42 -1.832679666e-03 -1.832679666e-03 5.44 -1.583511215e-03 -1.583511215e-03 5.46 -1.367694421e-03 -1.367694421e-03 5.48 -1.180974107e-03 -1.180974107e-03 5.50 -1.019576187e-03 -1.019576187e-03 5.52 -8.801702324e-04 -8.801702324e-04 5.54 -7.598300936e-04 -7.598300936e-04 5.56 -6.559943986e-04 -6.559943986e-04 5.58 -5.664282054e-04 -5.664282054e-04 5.60 -4.891866754e-04 -4.891866754e-04 5.62 -4.225812954e-04 -4.225812954e-04 5.64 -3.651489236e-04 -3.651489236e-04 5.66 -3.156237564e-04 -3.156237564e-04 5.68 -2.729121789e-04 -2.729121789e-04 5.70 -2.360703803e-04 -2.360703803e-04 5.72 -2.042845567e-04 -2.042845567e-04 5.74 -1.768534971e-04 -1.768534971e-04 5.76 -1.531733344e-04 -1.531733344e-04 5.78 -1.327242412e-04 -1.327242412e-04 5.80 -1.150588592e-04 -1.150588592e-04 5.82 -9.979226372e-05 -9.979226372e-05 5.84 -8.659327607e-05 -8.659327607e-05 5.86 -7.517695911e-05 -7.517695911e-05 5.88 -6.529814259e-05 -6.529814259e-05 5.90 -5.674584474e-05 -5.674584474e-05 5.92 -4.933847046e-05 -4.933847046e-05 5.94 -4.291968137e-05 -4.291968137e-05 5.96 -3.735484581e-05 -3.735484581e-05 5.98 -3.252798885e-05 -3.252798885e-05 6.00 -2.833917279e-05 -2.833917279e-05