# 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 = CuFe2Ta # 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 2.041672996e+02 2.041672996e+02 1.30 1.869179119e+02 1.869179119e+02 1.32 1.710754571e+02 1.710754571e+02 1.34 1.565128045e+02 1.565128045e+02 1.36 1.431190170e+02 1.431190170e+02 1.38 1.307977653e+02 1.307977653e+02 1.40 1.194645499e+02 1.194645499e+02 1.42 1.090438067e+02 1.090438067e+02 1.44 9.946634435e+01 9.946634435e+01 1.46 9.066729829e+01 9.066729829e+01 1.48 8.258483136e+01 8.258483136e+01 1.50 7.515977964e+01 7.515977964e+01 1.52 6.833614846e+01 6.833614846e+01 1.54 6.206196171e+01 6.206196171e+01 1.56 5.628990185e+01 5.628990185e+01 1.58 5.097751042e+01 5.097751042e+01 1.60 4.608701985e+01 4.608701985e+01 1.62 4.158492779e+01 4.158492779e+01 1.64 3.744138030e+01 3.744138030e+01 1.66 3.362945858e+01 3.362945858e+01 1.68 3.012486220e+01 3.012486220e+01 1.70 2.691000436e+01 2.691000436e+01 1.72 2.396451028e+01 2.396451028e+01 1.74 2.126704177e+01 2.126704177e+01 1.76 1.879736577e+01 1.879736577e+01 1.78 1.653683216e+01 1.653683216e+01 1.80 1.446847863e+01 1.446847863e+01 1.82 1.257707322e+01 1.257707322e+01 1.84 1.084897872e+01 1.084897872e+01 1.86 9.271849189e+00 9.271849189e+00 1.88 7.834275527e+00 7.834275527e+00 1.90 6.525481835e+00 6.525481835e+00 1.92 5.335123673e+00 5.335123673e+00 1.94 4.253195505e+00 4.253195505e+00 1.96 3.270032247e+00 3.270032247e+00 1.98 2.376384087e+00 2.376384087e+00 2.00 1.563545110e+00 1.563545110e+00 2.02 8.235132360e-01 8.235132360e-01 2.04 1.491465497e-01 1.491465497e-01 2.06 -4.657302935e-01 -4.657302935e-01 2.08 -1.026308653e+00 -1.026308653e+00 2.10 -1.536877606e+00 -1.536877606e+00 2.12 -2.000980812e+00 -2.000980812e+00 2.14 -2.421605470e+00 -2.421605470e+00 2.16 -2.801362840e+00 -2.801362840e+00 2.18 -3.142635961e+00 -3.142635961e+00 2.20 -3.447687767e+00 -3.447687767e+00 2.22 -3.718734257e+00 -3.718734257e+00 2.24 -3.957991676e+00 -3.957991676e+00 2.26 -4.167705832e+00 -4.167705832e+00 2.28 -4.350162161e+00 -4.350162161e+00 2.30 -4.507534560e+00 -4.507534560e+00 2.32 -4.642342041e+00 -4.642342041e+00 2.34 -4.757209230e+00 -4.757209230e+00 2.36 -4.854624032e+00 -4.854624032e+00 2.38 -4.936859368e+00 -4.936859368e+00 2.40 -5.005807900e+00 -5.005807900e+00 2.42 -5.062533169e+00 -5.062533169e+00 2.44 -5.107862494e+00 -5.107862494e+00 2.46 -5.142624543e+00 -5.142624543e+00 2.48 -5.167619260e+00 -5.167619260e+00 2.50 -5.183601868e+00 -5.183601868e+00 2.52 -5.191278330e+00 -5.191278330e+00 2.54 -5.191307899e+00 -5.191307899e+00 2.56 -5.184308544e+00 -5.184308544e+00 2.58 -5.170862244e+00 -5.170862244e+00 2.60 -5.151518737e+00 -5.151518737e+00 2.62 -5.126797495e+00 -5.126797495e+00 2.64 -5.097188302e+00 -5.097188302e+00 2.66 -5.063152820e+00 -5.063152820e+00 2.68 -5.025343811e+00 -5.025343811e+00 2.70 -4.984075577e+00 -4.984075577e+00 2.72 -4.939423893e+00 -4.939423893e+00 2.74 -4.891483184e+00 -4.891483184e+00 2.76 -4.840342764e+00 -4.840342764e+00 2.78 -4.786093774e+00 -4.786093774e+00 2.80 -4.728824011e+00 -4.728824011e+00 2.82 -4.668622353e+00 -4.668622353e+00 2.84 -4.605603812e+00 -4.605603812e+00 2.86 -4.539882598e+00 -4.539882598e+00 2.88 -4.471535211e+00 -4.471535211e+00 2.90 -4.400430609e+00 -4.400430609e+00 2.92 -4.326414701e+00 -4.326414701e+00 2.94 -4.249414049e+00 -4.249414049e+00 2.96 -4.169423403e+00 -4.169423403e+00 2.98 -4.086490666e+00 -4.086490666e+00 3.00 -4.000701670e+00 -4.000701670e+00 3.02 -3.912166532e+00 -3.912166532e+00 3.04 -3.821008997e+00 -3.821008997e+00 3.06 -3.727359721e+00 -3.727359721e+00 3.08 -3.631353959e+00 -3.631353959e+00 3.10 -3.533133670e+00 -3.533133670e+00 3.12 -3.432853628e+00 -3.432853628e+00 3.14 -3.330690745e+00 -3.330690745e+00 3.16 -3.226855422e+00 -3.226855422e+00 3.18 -3.121603378e+00 -3.121603378e+00 3.20 -3.015246101e+00 -3.015246101e+00 3.22 -2.908157888e+00 -2.908157888e+00 3.24 -2.800777507e+00 -2.800777507e+00 3.26 -2.693602929e+00 -2.693602929e+00 3.28 -2.587178333e+00 -2.587178333e+00 3.30 -2.482073701e+00 -2.482073701e+00 3.32 -2.378858549e+00 -2.378858549e+00 3.34 -2.278072466e+00 -2.278072466e+00 3.36 -2.180195866e+00 -2.180195866e+00 3.38 -2.085624423e+00 -2.085624423e+00 3.40 -1.994650155e+00 -1.994650155e+00 3.42 -1.907450997e+00 -1.907450997e+00 3.44 -1.824089389e+00 -1.824089389e+00 3.46 -1.744519118e+00 -1.744519118e+00 3.48 -1.668598730e+00 -1.668598730e+00 3.50 -1.596109311e+00 -1.596109311e+00 3.52 -1.526774435e+00 -1.526774435e+00 3.54 -1.460280367e+00 -1.460280367e+00 3.56 -1.396295133e+00 -1.396295133e+00 3.58 -1.334485595e+00 -1.334485595e+00 3.60 -1.274532177e+00 -1.274532177e+00 3.62 -1.216141183e+00 -1.216141183e+00 3.64 -1.159054895e+00 -1.159054895e+00 3.66 -1.103059632e+00 -1.103059632e+00 3.68 -1.047991966e+00 -1.047991966e+00 3.70 -9.937430963e-01 -9.937430963e-01 3.72 -9.402613012e-01 -9.402613012e-01 3.74 -8.875522287e-01 -8.875522287e-01 3.76 -8.356767430e-01 -8.356767430e-01 3.78 -7.847460680e-01 -7.847460680e-01 3.80 -7.349141246e-01 -7.349141246e-01 3.82 -6.863672064e-01 -6.863672064e-01 3.84 -6.393114804e-01 -6.393114804e-01 3.86 -5.939590718e-01 -5.939590718e-01 3.88 -5.505138959e-01 -5.505138959e-01 3.90 -5.091589739e-01 -5.091589739e-01 3.92 -4.700449614e-01 -4.700449614e-01 3.94 -4.332821156e-01 -4.332821156e-01 3.96 -3.989357750e-01 -3.989357750e-01 3.98 -3.670253388e-01 -3.670253388e-01 4.00 -3.375263668e-01 -3.375263668e-01 4.02 -3.103751196e-01 -3.103751196e-01 4.04 -2.854747627e-01 -2.854747627e-01 4.06 -2.627022655e-01 -2.627022655e-01 4.08 -2.419158365e-01 -2.419158365e-01 4.10 -2.229620889e-01 -2.229620889e-01 4.12 -2.056816125e-01 -2.056816125e-01 4.14 -1.899142172e-01 -1.899142172e-01 4.16 -1.755031901e-01 -1.755031901e-01 4.18 -1.622986058e-01 -1.622986058e-01 4.20 -1.501598061e-01 -1.501598061e-01 4.22 -1.389571854e-01 -1.389571854e-01 4.24 -1.285734233e-01 -1.285734233e-01 4.26 -1.189042837e-01 -1.189042837e-01 4.28 -1.098590714e-01 -1.098590714e-01 4.30 -1.013608042e-01 -1.013608042e-01 4.32 -9.334611689e-02 -9.334611689e-02 4.34 -8.576488979e-02 -8.576488979e-02 4.36 -7.857956796e-02 -7.857956796e-02 4.38 -7.176413792e-02 -7.176413792e-02 4.40 -6.530274075e-02 -6.530274075e-02 4.42 -5.918793481e-02 -5.918793481e-02 4.44 -5.341866746e-02 -5.341866746e-02 4.46 -4.799806583e-02 -4.799806583e-02 4.48 -4.293119834e-02 -4.293119834e-02 4.50 -3.822297988e-02 -3.822297988e-02 4.52 -3.387638631e-02 -3.387638631e-02 4.54 -2.989110998e-02 -2.989110998e-02 4.56 -2.626272174e-02 -2.626272174e-02 4.58 -2.298235569e-02 -2.298235569e-02 4.60 -2.003686167e-02 -2.003686167e-02 4.62 -1.740931967e-02 -1.740931967e-02 4.64 -1.507939833e-02 -1.507939833e-02 4.66 -1.302467938e-02 -1.302467938e-02 4.68 -1.122246382e-02 -1.122246382e-02 4.70 -9.649371578e-03 -9.649371578e-03 4.72 -8.282132498e-03 -8.282132498e-03 4.74 -7.098230983e-03 -7.098230983e-03 4.76 -6.076372762e-03 -6.076372762e-03 4.78 -5.196791638e-03 -5.196791638e-03 4.80 -4.441421492e-03 -4.441421492e-03 4.82 -3.793961837e-03 -3.793961837e-03 4.84 -3.239862469e-03 -3.239862469e-03 4.86 -2.766252527e-03 -2.766252527e-03 4.88 -2.361832402e-03 -2.361832402e-03 4.90 -2.016744552e-03 -2.016744552e-03 4.92 -1.722434852e-03 -1.722434852e-03 4.94 -1.471512899e-03 -1.471512899e-03 4.96 -1.257616982e-03 -1.257616982e-03 4.98 -1.075287373e-03 -1.075287373e-03 5.00 -9.198499652e-04 -9.198499652e-04 5.02 -7.873111963e-04 -7.873111963e-04 5.04 -6.742643886e-04 -6.742643886e-04 5.06 -5.778071239e-04 -5.778071239e-04 5.08 -4.954689556e-04 -4.954689556e-04 5.10 -4.251485881e-04 -4.251485881e-04 5.12 -3.650595781e-04 -3.650595781e-04 5.14 -3.136836090e-04 -3.136836090e-04 5.16 -2.697304261e-04 -2.697304261e-04 5.18 -2.321035825e-04 -2.321035825e-04 5.20 -1.998712210e-04 -1.998712210e-04 5.22 -1.722411975e-04 -1.722411975e-04 5.24 -1.485399331e-04 -1.485399331e-04 5.26 -1.281944552e-04 -1.281944552e-04 5.28 -1.107171605e-04 -1.107171605e-04 5.30 -9.569289411e-05 -9.569289411e-05 5.32 -8.276799862e-05 -8.276799862e-05 5.34 -7.164103405e-05 -7.164103405e-05 5.36 -6.205491468e-05 -6.205491468e-05 5.38 -5.379024624e-05 -5.379024624e-05 5.40 -4.665967937e-05 -4.665967937e-05 5.42 -4.050312333e-05 -4.050312333e-05 5.44 -3.518368753e-05 -3.518368753e-05 5.46 -3.058423900e-05 -3.058423900e-05 5.48 -2.660448103e-05 -2.660448103e-05 5.50 -2.315847282e-05 -2.315847282e-05 5.52 -2.017252259e-05 -2.017252259e-05 5.54 -1.758339688e-05 -1.758339688e-05 5.56 -1.533679762e-05 -1.533679762e-05 5.58 -1.338606626e-05 -1.338606626e-05 5.60 -1.169108034e-05 -1.169108034e-05 5.62 -1.021731338e-05 -1.021731338e-05 5.64 -8.935033273e-06 -8.935033273e-06 5.66 -7.818618496e-06 -7.818618496e-06 5.68 -6.845974251e-06 -6.845974251e-06 5.70 -5.998033706e-06 -5.998033706e-06 5.72 -5.258331584e-06 -5.258331584e-06 5.74 -4.612639380e-06 -4.612639380e-06 5.76 -4.048653065e-06 -4.048653065e-06 5.78 -3.555725542e-06 -3.555725542e-06 5.80 -3.124637293e-06 -3.124637293e-06 5.82 -2.747399618e-06 -2.747399618e-06 5.84 -2.417085717e-06 -2.417085717e-06 5.86 -2.127685581e-06 -2.127685581e-06 5.88 -1.873981246e-06 -1.873981246e-06 5.90 -1.651439481e-06 -1.651439481e-06 5.92 -1.456119407e-06 -1.456119407e-06 5.94 -1.284592918e-06 -1.284592918e-06 5.96 -1.133876087e-06 -1.133876087e-06 5.98 -1.001369994e-06 -1.001369994e-06 6.00 -8.848096508e-07 -8.848096508e-07