# 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 = AuMoPb2 # 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 4.385123815e+02 4.385123815e+02 1.30 4.094098359e+02 4.094098359e+02 1.32 3.823089016e+02 3.823089016e+02 1.34 3.570640638e+02 3.570640638e+02 1.36 3.335465603e+02 3.335465603e+02 1.38 3.116386714e+02 3.116386714e+02 1.40 2.912288280e+02 2.912288280e+02 1.42 2.722089497e+02 2.722089497e+02 1.44 2.544743948e+02 2.544743948e+02 1.46 2.379256043e+02 2.379256043e+02 1.48 2.224699206e+02 2.224699206e+02 1.50 2.080225478e+02 2.080225478e+02 1.52 1.945065163e+02 1.945065163e+02 1.54 1.818521305e+02 1.818521305e+02 1.56 1.699962246e+02 1.699962246e+02 1.58 1.588813880e+02 1.588813880e+02 1.60 1.484552215e+02 1.484552215e+02 1.62 1.386697356e+02 1.386697356e+02 1.64 1.294808949e+02 1.294808949e+02 1.66 1.208483386e+02 1.208483386e+02 1.68 1.127352152e+02 1.127352152e+02 1.70 1.051080458e+02 1.051080458e+02 1.72 9.793662230e+01 9.793662230e+01 1.74 9.119388386e+01 9.119388386e+01 1.76 8.485594935e+01 8.485594935e+01 1.78 7.891140931e+01 7.891140931e+01 1.80 7.334673772e+01 7.334673772e+01 1.82 6.815323723e+01 6.815323723e+01 1.84 6.331126068e+01 6.331126068e+01 1.86 5.879881375e+01 5.879881375e+01 1.88 5.459411424e+01 5.459411424e+01 1.90 5.067586829e+01 5.067586829e+01 1.92 4.702360137e+01 4.702360137e+01 1.94 4.361796299e+01 4.361796299e+01 1.96 4.044093893e+01 4.044093893e+01 1.98 3.747594449e+01 3.747594449e+01 2.00 3.470779094e+01 3.470779094e+01 2.02 3.212255788e+01 3.212255788e+01 2.04 2.970742050e+01 2.970742050e+01 2.06 2.745049033e+01 2.745049033e+01 2.08 2.534070718e+01 2.534070718e+01 2.10 2.336777897e+01 2.336777897e+01 2.12 2.152216626e+01 2.152216626e+01 2.14 1.979507692e+01 1.979507692e+01 2.16 1.817845356e+01 1.817845356e+01 2.18 1.666494258e+01 1.666494258e+01 2.20 1.524783693e+01 1.524783693e+01 2.22 1.392101081e+01 1.392101081e+01 2.24 1.267884905e+01 1.267884905e+01 2.26 1.151618176e+01 1.151618176e+01 2.28 1.042822990e+01 1.042822990e+01 2.30 9.410552574e+00 9.410552574e+00 2.32 8.459005114e+00 8.459005114e+00 2.34 7.569704346e+00 7.569704346e+00 2.36 6.738992795e+00 6.738992795e+00 2.38 5.963410692e+00 5.963410692e+00 2.40 5.239672996e+00 5.239672996e+00 2.42 4.564655073e+00 4.564655073e+00 2.44 3.935385830e+00 3.935385830e+00 2.46 3.349050720e+00 3.349050720e+00 2.48 2.802998665e+00 2.802998665e+00 2.50 2.294749743e+00 2.294749743e+00 2.52 1.822004805e+00 1.822004805e+00 2.54 1.382746753e+00 1.382746753e+00 2.56 9.749610819e-01 9.749610819e-01 2.58 5.967247361e-01 5.967247361e-01 2.60 2.462673257e-01 2.462673257e-01 2.62 -7.805260306e-02 -7.805260306e-02 2.64 -3.777732040e-01 -3.777732040e-01 2.66 -6.543421597e-01 -6.543421597e-01 2.68 -9.091330454e-01 -9.091330454e-01 2.70 -1.143445200e+00 -1.143445200e+00 2.72 -1.358410358e+00 -1.358410358e+00 2.74 -1.555040369e+00 -1.555040369e+00 2.76 -1.734318433e+00 -1.734318433e+00 2.78 -1.897195456e+00 -1.897195456e+00 2.80 -2.044590019e+00 -2.044590019e+00 2.82 -2.177460696e+00 -2.177460696e+00 2.84 -2.296588036e+00 -2.296588036e+00 2.86 -2.402665621e+00 -2.402665621e+00 2.88 -2.496366608e+00 -2.496366608e+00 2.90 -2.578347581e+00 -2.578347581e+00 2.92 -2.649253747e+00 -2.649253747e+00 2.94 -2.709724218e+00 -2.709724218e+00 2.96 -2.760388114e+00 -2.760388114e+00 2.98 -2.801867360e+00 -2.801867360e+00 3.00 -2.834789170e+00 -2.834789170e+00 3.02 -2.859784107e+00 -2.859784107e+00 3.04 -2.877479796e+00 -2.877479796e+00 3.06 -2.888494577e+00 -2.888494577e+00 3.08 -2.893425028e+00 -2.893425028e+00 3.10 -2.892838829e+00 -2.892838829e+00 3.12 -2.887265136e+00 -2.887265136e+00 3.14 -2.877194946e+00 -2.877194946e+00 3.16 -2.863069219e+00 -2.863069219e+00 3.18 -2.845284358e+00 -2.845284358e+00 3.20 -2.824190718e+00 -2.824190718e+00 3.22 -2.800093435e+00 -2.800093435e+00 3.24 -2.773253876e+00 -2.773253876e+00 3.26 -2.743892161e+00 -2.743892161e+00 3.28 -2.712191769e+00 -2.712191769e+00 3.30 -2.678391229e+00 -2.678391229e+00 3.32 -2.642583206e+00 -2.642583206e+00 3.34 -2.604755425e+00 -2.604755425e+00 3.36 -2.564917011e+00 -2.564917011e+00 3.38 -2.523107036e+00 -2.523107036e+00 3.40 -2.479401172e+00 -2.479401172e+00 3.42 -2.433906516e+00 -2.433906516e+00 3.44 -2.386722423e+00 -2.386722423e+00 3.46 -2.337984899e+00 -2.337984899e+00 3.48 -2.287880522e+00 -2.287880522e+00 3.50 -2.236636528e+00 -2.236636528e+00 3.52 -2.184508607e+00 -2.184508607e+00 3.54 -2.131767542e+00 -2.131767542e+00 3.56 -2.078686071e+00 -2.078686071e+00 3.58 -2.025527229e+00 -2.025527229e+00 3.60 -1.972535086e+00 -1.972535086e+00 3.62 -1.919928354e+00 -1.919928354e+00 3.64 -1.867896927e+00 -1.867896927e+00 3.66 -1.816600970e+00 -1.816600970e+00 3.68 -1.766171983e+00 -1.766171983e+00 3.70 -1.716715097e+00 -1.716715097e+00 3.72 -1.668311925e+00 -1.668311925e+00 3.74 -1.621023426e+00 -1.621023426e+00 3.76 -1.574892439e+00 -1.574892439e+00 3.78 -1.529945797e+00 -1.529945797e+00 3.80 -1.486196089e+00 -1.486196089e+00 3.82 -1.443643231e+00 -1.443643231e+00 3.84 -1.402276051e+00 -1.402276051e+00 3.86 -1.362073984e+00 -1.362073984e+00 3.88 -1.323008905e+00 -1.323008905e+00 3.90 -1.285047034e+00 -1.285047034e+00 3.92 -1.248150003e+00 -1.248150003e+00 3.94 -1.212279875e+00 -1.212279875e+00 3.96 -1.177395341e+00 -1.177395341e+00 3.98 -1.143456522e+00 -1.143456522e+00 4.00 -1.110424804e+00 -1.110424804e+00 4.02 -1.078263374e+00 -1.078263374e+00 4.04 -1.046937537e+00 -1.046937537e+00 4.06 -1.016414882e+00 -1.016414882e+00 4.08 -9.866653631e-01 -9.866653631e-01 4.10 -9.576590092e-01 -9.576590092e-01 4.12 -9.293757045e-01 -9.293757045e-01 4.14 -9.017899421e-01 -9.017899421e-01 4.16 -8.748816660e-01 -8.748816660e-01 4.18 -8.486335284e-01 -8.486335284e-01 4.20 -8.230309770e-01 -8.230309770e-01 4.22 -7.980622869e-01 -7.980622869e-01 4.24 -7.737184939e-01 -7.737184939e-01 4.26 -7.499931891e-01 -7.499931891e-01 4.28 -7.268821476e-01 -7.268821476e-01 4.30 -7.043827856e-01 -7.043827856e-01 4.32 -6.824934666e-01 -6.824934666e-01 4.34 -6.612127073e-01 -6.612127073e-01 4.36 -6.405383559e-01 -6.405383559e-01 4.38 -6.204668261e-01 -6.204668261e-01 4.40 -6.009924673e-01 -6.009924673e-01 4.42 -5.821071312e-01 -5.821071312e-01 4.44 -5.637999668e-01 -5.637999668e-01 4.46 -5.460574411e-01 -5.460574411e-01 4.48 -5.288635554e-01 -5.288635554e-01 4.50 -5.122002070e-01 -5.122002070e-01 4.52 -4.960476379e-01 -4.960476379e-01 4.54 -4.803849143e-01 -4.803849143e-01 4.56 -4.651903933e-01 -4.651903933e-01 4.58 -4.504421432e-01 -4.504421432e-01 4.60 -4.361183051e-01 -4.361183051e-01 4.62 -4.221973882e-01 -4.221973882e-01 4.64 -4.086585070e-01 -4.086585070e-01 4.66 -3.954815717e-01 -3.954815717e-01 4.68 -3.826474446e-01 -3.826474446e-01 4.70 -3.701380783e-01 -3.701380783e-01 4.72 -3.579366460e-01 -3.579366460e-01 4.74 -3.460276746e-01 -3.460276746e-01 4.76 -3.343971836e-01 -3.343971836e-01 4.78 -3.230328313e-01 -3.230328313e-01 4.80 -3.119225444e-01 -3.119225444e-01 4.82 -3.010609659e-01 -3.010609659e-01 4.84 -2.904397066e-01 -2.904397066e-01 4.86 -2.800542914e-01 -2.800542914e-01 4.88 -2.699023678e-01 -2.699023678e-01 4.90 -2.599836369e-01 -2.599836369e-01 4.92 -2.502996908e-01 -2.502996908e-01 4.94 -2.408537488e-01 -2.408537488e-01 4.96 -2.316502963e-01 -2.316502963e-01 4.98 -2.226946428e-01 -2.226946428e-01 5.00 -2.139924277e-01 -2.139924277e-01 5.02 -2.055491121e-01 -2.055491121e-01 5.04 -1.973694995e-01 -1.973694995e-01 5.06 -1.894573278e-01 -1.894573278e-01 5.08 -1.818149695e-01 -1.818149695e-01 5.10 -1.744432550e-01 -1.744432550e-01 5.12 -1.673414345e-01 -1.673414345e-01 5.14 -1.605072660e-01 -1.605072660e-01 5.16 -1.539371996e-01 -1.539371996e-01 5.18 -1.476266287e-01 -1.476266287e-01 5.20 -1.415701663e-01 -1.415701663e-01 5.22 -1.357619066e-01 -1.357619066e-01 5.24 -1.301956502e-01 -1.301956502e-01 5.26 -1.248650665e-01 -1.248650665e-01 5.28 -1.197637859e-01 -1.197637859e-01 5.30 -1.148854224e-01 -1.148854224e-01 5.32 -1.102233558e-01 -1.102233558e-01 5.34 -1.057702680e-01 -1.057702680e-01 5.36 -1.015197741e-01 -1.015197741e-01 5.38 -9.746518957e-02 -9.746518957e-02 5.40 -9.359930897e-02 -9.359930897e-02 5.42 -8.991439910e-02 -8.991439910e-02 5.44 -8.640222395e-02 -8.640222395e-02 5.46 -8.305410169e-02 -8.305410169e-02 5.48 -7.986098941e-02 -7.986098941e-02 5.50 -7.681358783e-02 -7.681358783e-02 5.52 -7.390245721e-02 -7.390245721e-02 5.54 -7.111813547e-02 -7.111813547e-02 5.56 -6.845125101e-02 -6.845125101e-02 5.58 -6.589262457e-02 -6.589262457e-02 5.60 -6.343335662e-02 -6.343335662e-02 5.62 -6.106489884e-02 -6.106489884e-02 5.64 -5.877910989e-02 -5.877910989e-02 5.66 -5.656829709e-02 -5.656829709e-02 5.68 -5.442524635e-02 -5.442524635e-02 5.70 -5.234324316e-02 -5.234324316e-02 5.72 -5.031608746e-02 -5.031608746e-02 5.74 -4.833810527e-02 -4.833810527e-02 5.76 -4.640415907e-02 -4.640415907e-02 5.78 -4.450965901e-02 -4.450965901e-02 5.80 -4.265057682e-02 -4.265057682e-02 5.82 -4.082346119e-02 -4.082346119e-02 5.84 -3.902545578e-02 -3.902545578e-02 5.86 -3.725431863e-02 -3.725431863e-02 5.88 -3.550844131e-02 -3.550844131e-02 5.90 -3.378686551e-02 -3.378686551e-02 5.92 -3.208929418e-02 -3.208929418e-02 5.94 -3.041609418e-02 -3.041609418e-02 5.96 -2.876828689e-02 -2.876828689e-02 5.98 -2.714752163e-02 -2.714752163e-02 6.00 -2.555603375e-02 -2.555603375e-02