# 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 = AuCu2W # 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 2.357506780e+02 2.357506780e+02 1.30 2.173214933e+02 2.173214933e+02 1.32 2.003060966e+02 2.003060966e+02 1.34 1.846022979e+02 1.846022979e+02 1.36 1.701139400e+02 1.701139400e+02 1.38 1.567476014e+02 1.567476014e+02 1.40 1.444119637e+02 1.444119637e+02 1.42 1.330194117e+02 1.330194117e+02 1.44 1.224882494e+02 1.224882494e+02 1.46 1.127442192e+02 1.127442192e+02 1.48 1.037209949e+02 1.037209949e+02 1.50 9.535984914e+01 9.535984914e+01 1.52 8.760871680e+01 8.760871680e+01 1.54 8.042092909e+01 8.042092909e+01 1.56 7.375402768e+01 7.375402768e+01 1.58 6.756902591e+01 6.756902591e+01 1.60 6.183020775e+01 6.183020775e+01 1.62 5.650520098e+01 5.650520098e+01 1.64 5.156492601e+01 5.156492601e+01 1.66 4.698325228e+01 4.698325228e+01 1.68 4.273650043e+01 4.273650043e+01 1.70 3.880343654e+01 3.880343654e+01 1.72 3.516394915e+01 3.516394915e+01 1.74 3.180642416e+01 3.180642416e+01 1.76 2.871941260e+01 2.871941260e+01 1.78 2.588249172e+01 2.588249172e+01 1.80 2.327530457e+01 2.327530457e+01 1.82 2.087799696e+01 2.087799696e+01 1.84 1.867188027e+01 1.867188027e+01 1.86 1.663992097e+01 1.663992097e+01 1.88 1.476709230e+01 1.476709230e+01 1.90 1.304038298e+01 1.304038298e+01 1.92 1.144853626e+01 1.144853626e+01 1.94 9.981683104e+00 9.981683104e+00 1.96 8.631009141e+00 8.631009141e+00 1.98 7.388510913e+00 7.388510913e+00 2.00 6.246824980e+00 6.246824980e+00 2.02 5.199091809e+00 5.199091809e+00 2.04 4.238831943e+00 4.238831943e+00 2.06 3.359836366e+00 3.359836366e+00 2.08 2.556088458e+00 2.556088458e+00 2.10 1.821735834e+00 1.821735834e+00 2.12 1.151117489e+00 1.151117489e+00 2.14 5.388332836e-01 5.388332836e-01 2.16 -2.017072771e-02 -2.017072771e-02 2.18 -5.305294348e-01 -5.305294348e-01 2.20 -9.964174414e-01 -9.964174414e-01 2.22 -1.421544973e+00 -1.421544973e+00 2.24 -1.809127857e+00 -1.809127857e+00 2.26 -2.162005988e+00 -2.162005988e+00 2.28 -2.482927457e+00 -2.482927457e+00 2.30 -2.774352648e+00 -2.774352648e+00 2.32 -3.038516716e+00 -3.038516716e+00 2.34 -3.277479098e+00 -3.277479098e+00 2.36 -3.493135519e+00 -3.493135519e+00 2.38 -3.686988287e+00 -3.686988287e+00 2.40 -3.860209746e+00 -3.860209746e+00 2.42 -4.013964883e+00 -4.013964883e+00 2.44 -4.149399547e+00 -4.149399547e+00 2.46 -4.267626937e+00 -4.267626937e+00 2.48 -4.369724779e+00 -4.369724779e+00 2.50 -4.456735939e+00 -4.456735939e+00 2.52 -4.529668354e+00 -4.529668354e+00 2.54 -4.589493307e+00 -4.589493307e+00 2.56 -4.637142965e+00 -4.637142965e+00 2.58 -4.673508325e+00 -4.673508325e+00 2.60 -4.699438025e+00 -4.699438025e+00 2.62 -4.715737885e+00 -4.715737885e+00 2.64 -4.723171100e+00 -4.723171100e+00 2.66 -4.722459217e+00 -4.722459217e+00 2.68 -4.714322259e+00 -4.714322259e+00 2.70 -4.699451167e+00 -4.699451167e+00 2.72 -4.678345307e+00 -4.678345307e+00 2.74 -4.651470633e+00 -4.651470633e+00 2.76 -4.619257036e+00 -4.619257036e+00 2.78 -4.582257331e+00 -4.582257331e+00 2.80 -4.541082192e+00 -4.541082192e+00 2.82 -4.495591531e+00 -4.495591531e+00 2.84 -4.445651984e+00 -4.445651984e+00 2.86 -4.391194328e+00 -4.391194328e+00 2.88 -4.332218909e+00 -4.332218909e+00 2.90 -4.268798377e+00 -4.268798377e+00 2.92 -4.201080834e+00 -4.201080834e+00 2.94 -4.129293516e+00 -4.129293516e+00 2.96 -4.053773663e+00 -4.053773663e+00 2.98 -3.974948049e+00 -3.974948049e+00 3.00 -3.893292168e+00 -3.893292168e+00 3.02 -3.809314275e+00 -3.809314275e+00 3.04 -3.723535078e+00 -3.723535078e+00 3.06 -3.636463674e+00 -3.636463674e+00 3.08 -3.548572378e+00 -3.548572378e+00 3.10 -3.460273663e+00 -3.460273663e+00 3.12 -3.371902292e+00 -3.371902292e+00 3.14 -3.283704947e+00 -3.283704947e+00 3.16 -3.195838342e+00 -3.195838342e+00 3.18 -3.108375426e+00 -3.108375426e+00 3.20 -3.021318139e+00 -3.021318139e+00 3.22 -2.934614685e+00 -2.934614685e+00 3.24 -2.848179231e+00 -2.848179231e+00 3.26 -2.761912231e+00 -2.761912231e+00 3.28 -2.675719999e+00 -2.675719999e+00 3.30 -2.589532446e+00 -2.589532446e+00 3.32 -2.503318132e+00 -2.503318132e+00 3.34 -2.417095891e+00 -2.417095891e+00 3.36 -2.330942382e+00 -2.330942382e+00 3.38 -2.244995090e+00 -2.244995090e+00 3.40 -2.159450504e+00 -2.159450504e+00 3.42 -2.074557537e+00 -2.074557537e+00 3.44 -1.990606642e+00 -1.990606642e+00 3.46 -1.907915480e+00 -1.907915480e+00 3.48 -1.826812360e+00 -1.826812360e+00 3.50 -1.747618900e+00 -1.747618900e+00 3.52 -1.670633471e+00 -1.670633471e+00 3.54 -1.596116839e+00 -1.596116839e+00 3.56 -1.524281146e+00 -1.524281146e+00 3.58 -1.455282957e+00 -1.455282957e+00 3.60 -1.389220586e+00 -1.389220586e+00 3.62 -1.326135477e+00 -1.326135477e+00 3.64 -1.266017035e+00 -1.266017035e+00 3.66 -1.208810074e+00 -1.208810074e+00 3.68 -1.154423938e+00 -1.154423938e+00 3.70 -1.102742369e+00 -1.102742369e+00 3.72 -1.053633280e+00 -1.053633280e+00 3.74 -1.006957741e+00 -1.006957741e+00 3.76 -9.625775988e-01 -9.625775988e-01 3.78 -9.203613346e-01 -9.203613346e-01 3.80 -8.801878852e-01 -8.801878852e-01 3.82 -8.419483678e-01 -8.419483678e-01 3.84 -8.055458279e-01 -8.055458279e-01 3.86 -7.708933541e-01 -7.708933541e-01 3.88 -7.379110840e-01 -7.379110840e-01 3.90 -7.065227403e-01 -7.065227403e-01 3.92 -6.766523361e-01 -6.766523361e-01 3.94 -6.482215765e-01 -6.482215765e-01 3.96 -6.211482703e-01 -6.211482703e-01 3.98 -5.953458438e-01 -5.953458438e-01 4.00 -5.707238284e-01 -5.707238284e-01 4.02 -5.471890675e-01 -5.471890675e-01 4.04 -5.246473379e-01 -5.246473379e-01 4.06 -5.030051105e-01 -5.030051105e-01 4.08 -4.821712462e-01 -4.821712462e-01 4.10 -4.620585084e-01 -4.620585084e-01 4.12 -4.425848601e-01 -4.425848601e-01 4.14 -4.236745481e-01 -4.236745481e-01 4.16 -4.052590396e-01 -4.052590396e-01 4.18 -3.872778492e-01 -3.872778492e-01 4.20 -3.696793028e-01 -3.696793028e-01 4.22 -3.524212562e-01 -3.524212562e-01 4.24 -3.354717573e-01 -3.354717573e-01 4.26 -3.188096151e-01 -3.188096151e-01 4.28 -3.024248125e-01 -3.024248125e-01 4.30 -2.863186842e-01 -2.863186842e-01 4.32 -2.705037745e-01 -2.705037745e-01 4.34 -2.550032858e-01 -2.550032858e-01 4.36 -2.398500504e-01 -2.398500504e-01 4.38 -2.250849748e-01 -2.250849748e-01 4.40 -2.107549557e-01 -2.107549557e-01 4.42 -1.969103167e-01 -1.969103167e-01 4.44 -1.836018848e-01 -1.836018848e-01 4.46 -1.708778951e-01 -1.708778951e-01 4.48 -1.587809636e-01 -1.587809636e-01 4.50 -1.473453953e-01 -1.473453953e-01 4.52 -1.365950775e-01 -1.365950775e-01 4.54 -1.265421438e-01 -1.265421438e-01 4.56 -1.171865048e-01 -1.171865048e-01 4.58 -1.085162286e-01 -1.085162286e-01 4.60 -1.005086603e-01 -1.005086603e-01 4.62 -9.313209557e-02 -9.313209557e-02 4.64 -8.634779086e-02 -8.634779086e-02 4.66 -8.011209716e-02 -8.011209716e-02 4.68 -7.437853683e-02 -7.437853683e-02 4.70 -6.909968901e-02 -6.909968901e-02 4.72 -6.422858389e-02 -6.422858389e-02 4.74 -5.972023140e-02 -5.972023140e-02 4.76 -5.553310019e-02 -5.553310019e-02 4.78 -5.162929826e-02 -5.162929826e-02 4.80 -4.797492291e-02 -4.797492291e-02 4.82 -4.454039206e-02 -4.454039206e-02 4.84 -4.130056784e-02 -4.130056784e-02 4.86 -3.823472315e-02 -3.823472315e-02 4.88 -3.532637106e-02 -3.532637106e-02 4.90 -3.256298073e-02 -3.256298073e-02 4.92 -2.993559384e-02 -2.993559384e-02 4.94 -2.743835519e-02 -2.743835519e-02 4.96 -2.506797298e-02 -2.506797298e-02 4.98 -2.282312819e-02 -2.282312819e-02 5.00 -2.070386062e-02 -2.070386062e-02 5.02 -1.871096190e-02 -1.871096190e-02 5.04 -1.684540828e-02 -1.684540828e-02 5.06 -1.510786495e-02 -1.510786495e-02 5.08 -1.349828821e-02 -1.349828821e-02 5.10 -1.201548182e-02 -1.201548182e-02 5.12 -1.065717726e-02 -1.065717726e-02 5.14 -9.420135293e-03 -9.420135293e-03 5.16 -8.299918425e-03 -8.299918425e-03 5.18 -7.291034813e-03 -7.291034813e-03 5.20 -6.387136700e-03 -6.387136700e-03 5.22 -5.581247032e-03 -5.581247032e-03 5.24 -4.865991626e-03 -4.865991626e-03 5.26 -4.233819020e-03 -4.233819020e-03 5.28 -3.677195519e-03 -3.677195519e-03 5.30 -3.188768116e-03 -3.188768116e-03 5.32 -2.761492440e-03 -2.761492440e-03 5.34 -2.388726287e-03 -2.388726287e-03 5.36 -2.064291647e-03 -2.064291647e-03 5.38 -1.782509527e-03 -1.782509527e-03 5.40 -1.538212436e-03 -1.538212436e-03 5.42 -1.326739427e-03 -1.326739427e-03 5.44 -1.143918229e-03 -1.143918229e-03 5.46 -9.860384045e-04 -9.860384045e-04 5.48 -8.498188318e-04 -8.498188318e-04 5.50 -7.323721229e-04 -7.323721229e-04 5.52 -6.311679850e-04 -6.311679850e-04 5.54 -5.439969947e-04 -5.439969947e-04 5.56 -4.689358093e-04 -4.689358093e-04 5.58 -4.043144821e-04 -4.043144821e-04 5.60 -3.486862743e-04 -3.486862743e-04 5.62 -3.008001454e-04 -3.008001454e-04 5.64 -2.595759581e-04 -2.595759581e-04 5.66 -2.240823271e-04 -2.240823271e-04 5.68 -1.935169760e-04 -1.935169760e-04 5.70 -1.671894236e-04 -1.671894236e-04 5.72 -1.445058002e-04 -1.445058002e-04 5.74 -1.249555903e-04 -1.249555903e-04 5.76 -1.081000960e-04 -1.081000960e-04 5.78 -9.356242945e-05 -9.356242945e-05 5.80 -8.101885167e-05 -8.101885167e-05 5.82 -7.019129374e-05 -7.019129374e-05 5.84 -6.084090861e-05 -6.084090861e-05 5.86 -5.276252009e-05 -5.276252009e-05 5.88 -4.577984940e-05 -4.577984940e-05 5.90 -3.974141427e-05 -3.974141427e-05 5.92 -3.451700842e-05 -3.451700842e-05 5.94 -2.999468090e-05 -2.999468090e-05 5.96 -2.607814551e-05 -2.607814551e-05 5.98 -2.268455965e-05 -2.268455965e-05 6.00 -1.974262037e-05 -1.974262037e-05