# 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 = Al2AuFe # 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 1.572590198e+02 1.572590198e+02 1.30 1.454465462e+02 1.454465462e+02 1.32 1.345216430e+02 1.345216430e+02 1.34 1.244122827e+02 1.244122827e+02 1.36 1.150517576e+02 1.150517576e+02 1.38 1.063787194e+02 1.063787194e+02 1.40 9.833694653e+01 9.833694653e+01 1.42 9.087495525e+01 9.087495525e+01 1.44 8.394578645e+01 8.394578645e+01 1.46 7.750711162e+01 7.750711162e+01 1.48 7.152134062e+01 7.152134062e+01 1.50 6.595521784e+01 6.595521784e+01 1.52 6.077883594e+01 6.077883594e+01 1.54 5.596453979e+01 5.596453979e+01 1.56 5.148619477e+01 5.148619477e+01 1.58 4.731895662e+01 4.731895662e+01 1.60 4.343942450e+01 4.343942450e+01 1.62 3.983092029e+01 3.983092029e+01 1.64 3.648395257e+01 3.648395257e+01 1.66 3.337964608e+01 3.337964608e+01 1.68 3.050048441e+01 3.050048441e+01 1.70 2.783192371e+01 2.783192371e+01 1.72 2.536177302e+01 2.536177302e+01 1.74 2.307556151e+01 2.307556151e+01 1.76 2.095960160e+01 2.095960160e+01 1.78 1.900106273e+01 1.900106273e+01 1.80 1.718799450e+01 1.718799450e+01 1.82 1.550936781e+01 1.550936781e+01 1.84 1.395510096e+01 1.395510096e+01 1.86 1.251602959e+01 1.251602959e+01 1.88 1.118380566e+01 1.118380566e+01 1.90 9.950746249e+00 9.950746249e+00 1.92 8.809675802e+00 8.809675802e+00 1.94 7.753809385e+00 7.753809385e+00 1.96 6.776705638e+00 6.776705638e+00 1.98 5.872284285e+00 5.872284285e+00 2.00 5.034876754e+00 5.034876754e+00 2.02 4.259276869e+00 4.259276869e+00 2.04 3.540770512e+00 3.540770512e+00 2.06 2.875132214e+00 2.875132214e+00 2.08 2.258585019e+00 2.258585019e+00 2.10 1.687732285e+00 1.687732285e+00 2.12 1.159479676e+00 1.159479676e+00 2.14 6.709659838e-01 6.709659838e-01 2.16 2.195149111e-01 2.195149111e-01 2.18 -1.973885864e-01 -1.973885864e-01 2.20 -5.821013448e-01 -5.821013448e-01 2.22 -9.368137723e-01 -9.368137723e-01 2.24 -1.263540548e+00 -1.263540548e+00 2.26 -1.564116882e+00 -1.564116882e+00 2.28 -1.840201757e+00 -1.840201757e+00 2.30 -2.093286177e+00 -2.093286177e+00 2.32 -2.324704501e+00 -2.324704501e+00 2.34 -2.535648104e+00 -2.535648104e+00 2.36 -2.727182413e+00 -2.727182413e+00 2.38 -2.900268277e+00 -2.900268277e+00 2.40 -3.055787924e+00 -3.055787924e+00 2.42 -3.194574200e+00 -3.194574200e+00 2.44 -3.317440266e+00 -3.317440266e+00 2.46 -3.425206219e+00 -3.425206219e+00 2.48 -3.518719367e+00 -3.518719367e+00 2.50 -3.598866596e+00 -3.598866596e+00 2.52 -3.666579809e+00 -3.666579809e+00 2.54 -3.722837199e+00 -3.722837199e+00 2.56 -3.768662233e+00 -3.768662233e+00 2.58 -3.805118378e+00 -3.805118378e+00 2.60 -3.833336346e+00 -3.833336346e+00 2.62 -3.854436076e+00 -3.854436076e+00 2.64 -3.869341720e+00 -3.869341720e+00 2.66 -3.878892435e+00 -3.878892435e+00 2.68 -3.884319056e+00 -3.884319056e+00 2.70 -3.887188981e+00 -3.887188981e+00 2.72 -3.887358347e+00 -3.887358347e+00 2.74 -3.884600780e+00 -3.884600780e+00 2.76 -3.878690908e+00 -3.878690908e+00 2.78 -3.869419700e+00 -3.869419700e+00 2.80 -3.856613853e+00 -3.856613853e+00 2.82 -3.840141456e+00 -3.840141456e+00 2.84 -3.819873541e+00 -3.819873541e+00 2.86 -3.795719152e+00 -3.795719152e+00 2.88 -3.767658289e+00 -3.767658289e+00 2.90 -3.735715353e+00 -3.735715353e+00 2.92 -3.699953302e+00 -3.699953302e+00 2.94 -3.660471922e+00 -3.660471922e+00 2.96 -3.617410129e+00 -3.617410129e+00 2.98 -3.570951568e+00 -3.570951568e+00 3.00 -3.521331390e+00 -3.521331390e+00 3.02 -3.468840948e+00 -3.468840948e+00 3.04 -3.413826810e+00 -3.413826810e+00 3.06 -3.356681421e+00 -3.356681421e+00 3.08 -3.297824859e+00 -3.297824859e+00 3.10 -3.237680368e+00 -3.237680368e+00 3.12 -3.176648473e+00 -3.176648473e+00 3.14 -3.115085453e+00 -3.115085453e+00 3.16 -3.053290327e+00 -3.053290327e+00 3.18 -2.991502102e+00 -2.991502102e+00 3.20 -2.929905753e+00 -2.929905753e+00 3.22 -2.868643729e+00 -2.868643729e+00 3.24 -2.807829185e+00 -2.807829185e+00 3.26 -2.747557809e+00 -2.747557809e+00 3.28 -2.687916362e+00 -2.687916362e+00 3.30 -2.628987319e+00 -2.628987319e+00 3.32 -2.570850009e+00 -2.570850009e+00 3.34 -2.513579251e+00 -2.513579251e+00 3.36 -2.457242704e+00 -2.457242704e+00 3.38 -2.401898022e+00 -2.401898022e+00 3.40 -2.347590648e+00 -2.347590648e+00 3.42 -2.294352723e+00 -2.294352723e+00 3.44 -2.242203132e+00 -2.242203132e+00 3.46 -2.191148632e+00 -2.191148632e+00 3.48 -2.141185644e+00 -2.141185644e+00 3.50 -2.092302395e+00 -2.092302395e+00 3.52 -2.044481073e+00 -2.044481073e+00 3.54 -1.997699763e+00 -1.997699763e+00 3.56 -1.951934035e+00 -1.951934035e+00 3.58 -1.907158129e+00 -1.907158129e+00 3.60 -1.863345759e+00 -1.863345759e+00 3.62 -1.820470579e+00 -1.820470579e+00 3.64 -1.778506397e+00 -1.778506397e+00 3.66 -1.737427182e+00 -1.737427182e+00 3.68 -1.697206958e+00 -1.697206958e+00 3.70 -1.657819618e+00 -1.657819618e+00 3.72 -1.619238713e+00 -1.619238713e+00 3.74 -1.581437253e+00 -1.581437253e+00 3.76 -1.544387542e+00 -1.544387542e+00 3.78 -1.508061071e+00 -1.508061071e+00 3.80 -1.472428477e+00 -1.472428477e+00 3.82 -1.437459569e+00 -1.437459569e+00 3.84 -1.403123424e+00 -1.403123424e+00 3.86 -1.369388521e+00 -1.369388521e+00 3.88 -1.336222920e+00 -1.336222920e+00 3.90 -1.303594443e+00 -1.303594443e+00 3.92 -1.271470844e+00 -1.271470844e+00 3.94 -1.239819989e+00 -1.239819989e+00 3.96 -1.208609944e+00 -1.208609944e+00 3.98 -1.177809127e+00 -1.177809127e+00 4.00 -1.147386440e+00 -1.147386440e+00 4.02 -1.117311460e+00 -1.117311460e+00 4.04 -1.087554751e+00 -1.087554751e+00 4.06 -1.058088335e+00 -1.058088335e+00 4.08 -1.028886392e+00 -1.028886392e+00 4.10 -9.999261871e-01 -9.999261871e-01 4.12 -9.711893857e-01 -9.711893857e-01 4.14 -9.426634016e-01 -9.426634016e-01 4.16 -9.143431446e-01 -9.143431446e-01 4.18 -8.862327053e-01 -8.862327053e-01 4.20 -8.583469289e-01 -8.583469289e-01 4.22 -8.307126154e-01 -8.307126154e-01 4.24 -8.033690852e-01 -8.033690852e-01 4.26 -7.763678604e-01 -7.763678604e-01 4.28 -7.497712730e-01 -7.497712730e-01 4.30 -7.236499336e-01 -7.236499336e-01 4.32 -6.980791487e-01 -6.980791487e-01 4.34 -6.731345536e-01 -6.731345536e-01 4.36 -6.488873741e-01 -6.488873741e-01 4.38 -6.253998221e-01 -6.253998221e-01 4.40 -6.027211255e-01 -6.027211255e-01 4.42 -5.808846015e-01 -5.808846015e-01 4.44 -5.599060170e-01 -5.599060170e-01 4.46 -5.397832868e-01 -5.397832868e-01 4.48 -5.204973788e-01 -5.204973788e-01 4.50 -5.020141653e-01 -5.020141653e-01 4.52 -4.842868935e-01 -4.842868935e-01 4.54 -4.672589474e-01 -4.672589474e-01 4.56 -4.508666237e-01 -4.508666237e-01 4.58 -4.350417168e-01 -4.350417168e-01 4.60 -4.197137942e-01 -4.197137942e-01 4.62 -4.048121167e-01 -4.048121167e-01 4.64 -3.902672190e-01 -3.902672190e-01 4.66 -3.760122021e-01 -3.760122021e-01 4.68 -3.619838142e-01 -3.619838142e-01 4.70 -3.481234004e-01 -3.481234004e-01 4.72 -3.343777949e-01 -3.343777949e-01 4.74 -3.207002172e-01 -3.207002172e-01 4.76 -3.070512098e-01 -3.070512098e-01 4.78 -2.933996274e-01 -2.933996274e-01 4.80 -2.797236505e-01 -2.797236505e-01 4.82 -2.660118386e-01 -2.660118386e-01 4.84 -2.522639640e-01 -2.522639640e-01 4.86 -2.384917596e-01 -2.384917596e-01 4.88 -2.247192728e-01 -2.247192728e-01 4.90 -2.109827642e-01 -2.109827642e-01 4.92 -1.973300270e-01 -1.973300270e-01 4.94 -1.838190559e-01 -1.838190559e-01 4.96 -1.705160484e-01 -1.705160484e-01 4.98 -1.574927911e-01 -1.574927911e-01 5.00 -1.448235720e-01 -1.448235720e-01 5.02 -1.325818373e-01 -1.325818373e-01 5.04 -1.208368305e-01 -1.208368305e-01 5.06 -1.096504899e-01 -1.096504899e-01 5.08 -9.907485262e-02 -9.907485262e-02 5.10 -8.914998881e-02 -8.914998881e-02 5.12 -7.990298953e-02 -7.990298953e-02 5.14 -7.134824096e-02 -7.134824096e-02 5.16 -6.348735576e-02 -6.348735576e-02 5.18 -5.631026939e-02 -5.631026939e-02 5.20 -4.979681215e-02 -4.979681215e-02 5.22 -4.391855121e-02 -4.391855121e-02 5.24 -3.864073144e-02 -3.864073144e-02 5.26 -3.392417144e-02 -3.392417144e-02 5.28 -2.972700832e-02 -2.972700832e-02 5.30 -2.600621461e-02 -2.600621461e-02 5.32 -2.271886484e-02 -2.271886484e-02 5.34 -1.982313424e-02 -1.982313424e-02 5.36 -1.727903838e-02 -1.727903838e-02 5.38 -1.504846721e-02 -1.504846721e-02 5.40 -1.309658329e-02 -1.309658329e-02 5.42 -1.139168621e-02 -1.139168621e-02 5.44 -9.904786021e-03 -9.904786021e-03 5.46 -8.609630764e-03 -8.609630764e-03 5.48 -7.482639195e-03 -7.482639195e-03 5.50 -6.502770234e-03 -6.502770234e-03 5.52 -5.651353347e-03 -5.651353347e-03 5.54 -4.911897989e-03 -4.911897989e-03 5.56 -4.269895204e-03 -4.269895204e-03 5.58 -3.712620560e-03 -3.712620560e-03 5.60 -3.228944570e-03 -3.228944570e-03 5.62 -2.809154435e-03 -2.809154435e-03 5.64 -2.444789312e-03 -2.444789312e-03 5.66 -2.128490076e-03 -2.128490076e-03 5.68 -1.853863731e-03 -1.853863731e-03 5.70 -1.615362056e-03 -1.615362056e-03 5.72 -1.408173732e-03 -1.408173732e-03 5.74 -1.228128968e-03 -1.228128968e-03 5.76 -1.071615572e-03 -1.071615572e-03 5.78 -9.355053566e-04 -9.355053566e-04 5.80 -8.170898126e-04 -8.170898126e-04 5.82 -7.140240276e-04 -7.140240276e-04 5.84 -6.242778881e-04 -6.242778881e-04 5.86 -5.460936978e-04 -5.460936978e-04 5.88 -4.779494179e-04 -4.779494179e-04 5.90 -4.185268200e-04 -4.185268200e-04 5.92 -3.666839202e-04 -3.666839202e-04 5.94 -3.214311355e-04 -3.214311355e-04 5.96 -2.819106713e-04 -2.819106713e-04 5.98 -2.473787087e-04 -2.473787087e-04 6.00 -2.171900169e-04 -2.171900169e-04