# 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 = CuFe2Pb # 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 2.269773338e+02 2.269773338e+02 1.30 2.092425910e+02 2.092425910e+02 1.32 1.928964439e+02 1.928964439e+02 1.34 1.778221896e+02 1.778221896e+02 1.36 1.639136377e+02 1.639136377e+02 1.38 1.510743157e+02 1.510743157e+02 1.40 1.392168393e+02 1.392168393e+02 1.42 1.282623719e+02 1.282623719e+02 1.44 1.181398026e+02 1.181398026e+02 1.46 1.087845775e+02 1.087845775e+02 1.48 1.001375631e+02 1.001375631e+02 1.50 9.214427160e+01 9.214427160e+01 1.52 8.475441374e+01 8.475441374e+01 1.54 7.792144599e+01 7.792144599e+01 1.56 7.160198637e+01 7.160198637e+01 1.58 6.575537744e+01 6.575537744e+01 1.60 6.034365889e+01 6.034365889e+01 1.62 5.533174120e+01 5.533174120e+01 1.64 5.068897680e+01 5.068897680e+01 1.66 4.639523752e+01 4.639523752e+01 1.68 4.242694110e+01 4.242694110e+01 1.70 3.876149627e+01 3.876149627e+01 1.72 3.537827481e+01 3.537827481e+01 1.74 3.225778836e+01 3.225778836e+01 1.76 2.938110194e+01 2.938110194e+01 1.78 2.672967574e+01 2.672967574e+01 1.80 2.428561466e+01 2.428561466e+01 1.82 2.203210616e+01 2.203210616e+01 1.84 1.995374751e+01 1.995374751e+01 1.86 1.803662944e+01 1.803662944e+01 1.88 1.626821574e+01 1.626821574e+01 1.90 1.463711852e+01 1.463711852e+01 1.92 1.313287507e+01 1.313287507e+01 1.94 1.174577760e+01 1.174577760e+01 1.96 1.046675471e+01 1.046675471e+01 1.98 9.287307633e+00 9.287307633e+00 2.00 8.199482042e+00 8.199482042e+00 2.02 7.195871883e+00 7.195871883e+00 2.04 6.269646823e+00 6.269646823e+00 2.06 5.414589118e+00 5.414589118e+00 2.08 4.625114944e+00 4.625114944e+00 2.10 3.896263242e+00 3.896263242e+00 2.12 3.223643663e+00 3.223643663e+00 2.14 2.603352192e+00 2.603352192e+00 2.16 2.031876769e+00 2.031876769e+00 2.18 1.506008090e+00 1.506008090e+00 2.20 1.022763932e+00 1.022763932e+00 2.22 5.793320054e-01 5.793320054e-01 2.24 1.730280308e-01 1.730280308e-01 2.26 -1.987315575e-01 -1.987315575e-01 2.28 -5.384469393e-01 -5.384469393e-01 2.30 -8.485311651e-01 -8.485311651e-01 2.32 -1.131303022e+00 -1.131303022e+00 2.34 -1.388954914e+00 -1.388954914e+00 2.36 -1.623525072e+00 -1.623525072e+00 2.38 -1.836869560e+00 -1.836869560e+00 2.40 -2.030649672e+00 -2.030649672e+00 2.42 -2.206337394e+00 -2.206337394e+00 2.44 -2.365235362e+00 -2.365235362e+00 2.46 -2.508504631e+00 -2.508504631e+00 2.48 -2.637193263e+00 -2.637193263e+00 2.50 -2.752261629e+00 -2.752261629e+00 2.52 -2.854602674e+00 -2.854602674e+00 2.54 -2.945077025e+00 -2.945077025e+00 2.56 -3.024727699e+00 -3.024727699e+00 2.58 -3.094142448e+00 -3.094142448e+00 2.60 -3.153781167e+00 -3.153781167e+00 2.62 -3.204130637e+00 -3.204130637e+00 2.64 -3.245698342e+00 -3.245698342e+00 2.66 -3.279002945e+00 -3.279002945e+00 2.68 -3.304572620e+00 -3.304572620e+00 2.70 -3.322929950e+00 -3.322929950e+00 2.72 -3.334413769e+00 -3.334413769e+00 2.74 -3.339267565e+00 -3.339267565e+00 2.76 -3.337765123e+00 -3.337765123e+00 2.78 -3.330201551e+00 -3.330201551e+00 2.80 -3.316887324e+00 -3.316887324e+00 2.82 -3.298143156e+00 -3.298143156e+00 2.84 -3.274300810e+00 -3.274300810e+00 2.86 -3.245702895e+00 -3.245702895e+00 2.88 -3.212701594e+00 -3.212701594e+00 2.90 -3.175654756e+00 -3.175654756e+00 2.92 -3.134949684e+00 -3.134949684e+00 2.94 -3.090940965e+00 -3.090940965e+00 2.96 -3.043898414e+00 -3.043898414e+00 2.98 -2.994081578e+00 -2.994081578e+00 3.00 -2.941733621e+00 -2.941733621e+00 3.02 -2.887077429e+00 -2.887077429e+00 3.04 -2.830313204e+00 -2.830313204e+00 3.06 -2.771607518e+00 -2.771607518e+00 3.08 -2.711093879e+00 -2.711093879e+00 3.10 -2.648900460e+00 -2.648900460e+00 3.12 -2.585155778e+00 -2.585155778e+00 3.14 -2.519999612e+00 -2.519999612e+00 3.16 -2.453585922e+00 -2.453585922e+00 3.18 -2.386093957e+00 -2.386093957e+00 3.20 -2.317733095e+00 -2.317733095e+00 3.22 -2.248746088e+00 -2.248746088e+00 3.24 -2.179409016e+00 -2.179409016e+00 3.26 -2.110027611e+00 -2.110027611e+00 3.28 -2.040929920e+00 -2.040929920e+00 3.30 -1.972455701e+00 -1.972455701e+00 3.32 -1.904943339e+00 -1.904943339e+00 3.34 -1.838715472e+00 -1.838715472e+00 3.36 -1.774064834e+00 -1.774064834e+00 3.38 -1.711241901e+00 -1.711241901e+00 3.40 -1.650445413e+00 -1.650445413e+00 3.42 -1.591818381e+00 -1.591818381e+00 3.44 -1.535445385e+00 -1.535445385e+00 3.46 -1.481356897e+00 -1.481356897e+00 3.48 -1.429535049e+00 -1.429535049e+00 3.50 -1.379921741e+00 -1.379921741e+00 3.52 -1.332427689e+00 -1.332427689e+00 3.54 -1.286941494e+00 -1.286941494e+00 3.56 -1.243338070e+00 -1.243338070e+00 3.58 -1.201486042e+00 -1.201486042e+00 3.60 -1.161253936e+00 -1.161253936e+00 3.62 -1.122515157e+00 -1.122515157e+00 3.64 -1.085151844e+00 -1.085151844e+00 3.66 -1.049057722e+00 -1.049057722e+00 3.68 -1.014140065e+00 -1.014140065e+00 3.70 -9.803208666e-01 -9.803208666e-01 3.72 -9.475372665e-01 -9.475372665e-01 3.74 -9.157412934e-01 -9.157412934e-01 3.76 -8.848989441e-01 -8.848989441e-01 3.78 -8.549886495e-01 -8.549886495e-01 3.80 -8.259991831e-01 -8.259991831e-01 3.82 -7.979270964e-01 -7.979270964e-01 3.84 -7.707738038e-01 -7.707738038e-01 3.86 -7.445424935e-01 -7.445424935e-01 3.88 -7.192350911e-01 -7.192350911e-01 3.90 -6.948495433e-01 -6.948495433e-01 3.92 -6.713773163e-01 -6.713773163e-01 3.94 -6.488035619e-01 -6.488035619e-01 3.96 -6.271042105e-01 -6.271042105e-01 3.98 -6.062479943e-01 -6.062479943e-01 4.00 -5.861970076e-01 -5.861970076e-01 4.02 -5.669081410e-01 -5.669081410e-01 4.04 -5.483347143e-01 -5.483347143e-01 4.06 -5.304280874e-01 -5.304280874e-01 4.08 -5.131382665e-01 -5.131382665e-01 4.10 -4.964160482e-01 -4.964160482e-01 4.12 -4.802182354e-01 -4.802182354e-01 4.14 -4.644992912e-01 -4.644992912e-01 4.16 -4.492179545e-01 -4.492179545e-01 4.18 -4.343362116e-01 -4.343362116e-01 4.20 -4.198196934e-01 -4.198196934e-01 4.22 -4.056380213e-01 -4.056380213e-01 4.24 -3.917651514e-01 -3.917651514e-01 4.26 -3.781797377e-01 -3.781797377e-01 4.28 -3.648655092e-01 -3.648655092e-01 4.30 -3.518116288e-01 -3.518116288e-01 4.32 -3.390129787e-01 -3.390129787e-01 4.34 -3.264703016e-01 -3.264703016e-01 4.36 -3.141901166e-01 -3.141901166e-01 4.38 -3.021843394e-01 -3.021843394e-01 4.40 -2.904695558e-01 -2.904695558e-01 4.42 -2.790659386e-01 -2.790659386e-01 4.44 -2.679958484e-01 -2.679958484e-01 4.46 -2.572822139e-01 -2.572822139e-01 4.48 -2.469468284e-01 -2.469468284e-01 4.50 -2.370087291e-01 -2.370087291e-01 4.52 -2.274828184e-01 -2.274828184e-01 4.54 -2.183788568e-01 -2.183788568e-01 4.56 -2.097009042e-01 -2.097009042e-01 4.58 -2.014472237e-01 -2.014472237e-01 4.60 -1.936106018e-01 -1.936106018e-01 4.62 -1.861789993e-01 -1.861789993e-01 4.64 -1.791364183e-01 -1.791364183e-01 4.66 -1.724638735e-01 -1.724638735e-01 4.68 -1.661403658e-01 -1.661403658e-01 4.70 -1.601437828e-01 -1.601437828e-01 4.72 -1.544516750e-01 -1.544516750e-01 4.74 -1.490418846e-01 -1.490418846e-01 4.76 -1.438930210e-01 -1.438930210e-01 4.78 -1.389847949e-01 -1.389847949e-01 4.80 -1.342974326e-01 -1.342974326e-01 4.82 -1.298150949e-01 -1.298150949e-01 4.84 -1.255207326e-01 -1.255207326e-01 4.86 -1.213996714e-01 -1.213996714e-01 4.88 -1.174386016e-01 -1.174386016e-01 4.90 -1.136254923e-01 -1.136254923e-01 4.92 -1.099494952e-01 -1.099494952e-01 4.94 -1.064008448e-01 -1.064008448e-01 4.96 -1.029707635e-01 -1.029707635e-01 4.98 -9.965137346e-02 -9.965137346e-02 5.00 -9.643561962e-02 -9.643561962e-02 5.02 -9.331720358e-02 -9.331720358e-02 5.04 -9.029052920e-02 -9.029052920e-02 5.06 -8.735065869e-02 -8.735065869e-02 5.08 -8.449327756e-02 -8.449327756e-02 5.10 -8.171466628e-02 -8.171466628e-02 5.12 -7.901167557e-02 -7.901167557e-02 5.14 -7.638170215e-02 -7.638170215e-02 5.16 -7.382266124e-02 -7.382266124e-02 5.18 -7.133295251e-02 -7.133295251e-02 5.20 -6.891141638e-02 -6.891141638e-02 5.22 -6.655727859e-02 -6.655727859e-02 5.24 -6.427008205e-02 -6.427008205e-02 5.26 -6.204959502e-02 -6.204959502e-02 5.28 -5.989567733e-02 -5.989567733e-02 5.30 -5.780832446e-02 -5.780832446e-02 5.32 -5.578749926e-02 -5.578749926e-02 5.34 -5.383302369e-02 -5.383302369e-02 5.36 -5.194449920e-02 -5.194449920e-02 5.38 -5.012124368e-02 -5.012124368e-02 5.40 -4.836224846e-02 -4.836224846e-02 5.42 -4.666615705e-02 -4.666615705e-02 5.44 -4.503126504e-02 -4.503126504e-02 5.46 -4.345553894e-02 -4.345553894e-02 5.48 -4.193665053e-02 -4.193665053e-02 5.50 -4.047202222e-02 -4.047202222e-02 5.52 -3.905887900e-02 -3.905887900e-02 5.54 -3.769430276e-02 -3.769430276e-02 5.56 -3.637528558e-02 -3.637528558e-02 5.58 -3.509877942e-02 -3.509877942e-02 5.60 -3.386174061e-02 -3.386174061e-02 5.62 -3.266116840e-02 -3.266116840e-02 5.64 -3.149413703e-02 -3.149413703e-02 5.66 -3.035782302e-02 -3.035782302e-02 5.68 -2.924952769e-02 -2.924952769e-02 5.70 -2.816669617e-02 -2.816669617e-02 5.72 -2.710693414e-02 -2.710693414e-02 5.74 -2.606802326e-02 -2.606802326e-02 5.76 -2.504793633e-02 -2.504793633e-02 5.78 -2.404485279e-02 -2.404485279e-02 5.80 -2.305717500e-02 -2.305717500e-02 5.82 -2.208354546e-02 -2.208354546e-02 5.84 -2.112286477e-02 -2.112286477e-02 5.86 -2.017430963e-02 -2.017430963e-02 5.88 -1.923735012e-02 -1.923735012e-02 5.90 -1.831176488e-02 -1.831176488e-02 5.92 -1.739765274e-02 -1.739765274e-02 5.94 -1.649541389e-02 -1.649541389e-02 5.96 -1.560565861e-02 -1.560565861e-02 5.98 -1.472946526e-02 -1.472946526e-02 6.00 -1.386823490e-02 -1.386823490e-02