# 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 = CuFeMg2 # 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 2.639540697e+02 2.639540697e+02 1.30 2.432046474e+02 2.432046474e+02 1.32 2.240982291e+02 2.240982291e+02 1.34 2.064930462e+02 2.064930462e+02 1.36 1.902626818e+02 1.902626818e+02 1.38 1.752946391e+02 1.752946391e+02 1.40 1.614880508e+02 1.614880508e+02 1.42 1.487515006e+02 1.487515006e+02 1.44 1.370013566e+02 1.370013566e+02 1.46 1.261606263e+02 1.261606263e+02 1.48 1.161582195e+02 1.161582195e+02 1.50 1.069284947e+02 1.069284947e+02 1.52 9.841097418e+01 9.841097418e+01 1.54 9.055002057e+01 9.055002057e+01 1.56 8.329436931e+01 8.329436931e+01 1.58 7.659674773e+01 7.659674773e+01 1.60 7.041338820e+01 7.041338820e+01 1.62 6.470457005e+01 6.470457005e+01 1.64 5.943391679e+01 5.943391679e+01 1.66 5.456798114e+01 5.456798114e+01 1.68 5.007584388e+01 5.007584388e+01 1.70 4.592877769e+01 4.592877769e+01 1.72 4.210000152e+01 4.210000152e+01 1.74 3.856455323e+01 3.856455323e+01 1.76 3.529927426e+01 3.529927426e+01 1.78 3.228285953e+01 3.228285953e+01 1.80 2.949587779e+01 2.949587779e+01 1.82 2.692070286e+01 2.692070286e+01 1.84 2.454133901e+01 2.454133901e+01 1.86 2.234320920e+01 2.234320920e+01 1.88 2.031294671e+01 2.031294671e+01 1.90 1.843822333e+01 1.843822333e+01 1.92 1.670761023e+01 1.670761023e+01 1.94 1.511047127e+01 1.511047127e+01 1.96 1.363688605e+01 1.363688605e+01 1.98 1.227760442e+01 1.227760442e+01 2.00 1.102401772e+01 1.102401772e+01 2.02 9.868133914e+00 9.868133914e+00 2.04 8.802554490e+00 8.802554490e+00 2.06 7.820451071e+00 7.820451071e+00 2.08 6.915538111e+00 6.915538111e+00 2.10 6.082041298e+00 6.082041298e+00 2.12 5.314660272e+00 5.314660272e+00 2.14 4.608526685e+00 4.608526685e+00 2.16 3.959160164e+00 3.959160164e+00 2.18 3.362419699e+00 3.362419699e+00 2.20 2.814456956e+00 2.814456956e+00 2.22 2.311673020e+00 2.311673020e+00 2.24 1.850687830e+00 1.850687830e+00 2.26 1.428321781e+00 1.428321781e+00 2.28 1.041583898e+00 1.041583898e+00 2.30 6.876691521e-01 6.876691521e-01 2.32 3.639540264e-01 3.639540264e-01 2.34 6.800580781e-02 6.800580781e-02 2.36 -2.024086751e-01 -2.024086751e-01 2.38 -4.493137840e-01 -4.493137840e-01 2.40 -6.745273052e-01 -6.745273052e-01 2.42 -8.796779552e-01 -8.796779552e-01 2.44 -1.066246219e+00 -1.066246219e+00 2.46 -1.235810745e+00 -1.235810745e+00 2.48 -1.389444675e+00 -1.389444675e+00 2.50 -1.528019780e+00 -1.528019780e+00 2.52 -1.652389686e+00 -1.652389686e+00 2.54 -1.763386041e+00 -1.763386041e+00 2.56 -1.861813895e+00 -1.861813895e+00 2.58 -1.948447916e+00 -1.948447916e+00 2.60 -2.024042245e+00 -2.024042245e+00 2.62 -2.089330453e+00 -2.089330453e+00 2.64 -2.144927686e+00 -2.144927686e+00 2.66 -2.191418654e+00 -2.191418654e+00 2.68 -2.229393551e+00 -2.229393551e+00 2.70 -2.259447908e+00 -2.259447908e+00 2.72 -2.282180183e+00 -2.282180183e+00 2.74 -2.298185986e+00 -2.298185986e+00 2.76 -2.308049697e+00 -2.308049697e+00 2.78 -2.312335280e+00 -2.312335280e+00 2.80 -2.311580174e+00 -2.311580174e+00 2.82 -2.306289901e+00 -2.306289901e+00 2.84 -2.296938628e+00 -2.296938628e+00 2.86 -2.283969977e+00 -2.283969977e+00 2.88 -2.267798122e+00 -2.267798122e+00 2.90 -2.248807735e+00 -2.248807735e+00 2.92 -2.227352644e+00 -2.227352644e+00 2.94 -2.203753871e+00 -2.203753871e+00 2.96 -2.178298005e+00 -2.178298005e+00 2.98 -2.151239563e+00 -2.151239563e+00 3.00 -2.122839803e+00 -2.122839803e+00 3.02 -2.093254038e+00 -2.093254038e+00 3.04 -2.062590764e+00 -2.062590764e+00 3.06 -2.030945337e+00 -2.030945337e+00 3.08 -1.998400995e+00 -1.998400995e+00 3.10 -1.965033265e+00 -1.965033265e+00 3.12 -1.930911097e+00 -1.930911097e+00 3.14 -1.896046224e+00 -1.896046224e+00 3.16 -1.860376470e+00 -1.860376470e+00 3.18 -1.823861221e+00 -1.823861221e+00 3.20 -1.786489763e+00 -1.786489763e+00 3.22 -1.748282749e+00 -1.748282749e+00 3.24 -1.709293206e+00 -1.709293206e+00 3.26 -1.669606397e+00 -1.669606397e+00 3.28 -1.629337847e+00 -1.629337847e+00 3.30 -1.588629055e+00 -1.588629055e+00 3.32 -1.547640867e+00 -1.547640867e+00 3.34 -1.506545029e+00 -1.506545029e+00 3.36 -1.465514922e+00 -1.465514922e+00 3.38 -1.424716697e+00 -1.424716697e+00 3.40 -1.384301773e+00 -1.384301773e+00 3.42 -1.344402018e+00 -1.344402018e+00 3.44 -1.305126122e+00 -1.305126122e+00 3.46 -1.266559259e+00 -1.266559259e+00 3.48 -1.228763792e+00 -1.228763792e+00 3.50 -1.191781236e+00 -1.191781236e+00 3.52 -1.155634901e+00 -1.155634901e+00 3.54 -1.120332822e+00 -1.120332822e+00 3.56 -1.085870710e+00 -1.085870710e+00 3.58 -1.052234771e+00 -1.052234771e+00 3.60 -1.019404296e+00 -1.019404296e+00 3.62 -9.873540162e-01 -9.873540162e-01 3.64 -9.560562367e-01 -9.560562367e-01 3.66 -9.254827989e-01 -9.254827989e-01 3.68 -8.956069026e-01 -8.956069026e-01 3.70 -8.664048128e-01 -8.664048128e-01 3.72 -8.378574313e-01 -8.378574313e-01 3.74 -8.099516647e-01 -8.099516647e-01 3.76 -7.826814714e-01 -7.826814714e-01 3.78 -7.560484294e-01 -7.560484294e-01 3.80 -7.300616571e-01 -7.300616571e-01 3.82 -7.047369530e-01 -7.047369530e-01 3.84 -6.800951106e-01 -6.800951106e-01 3.86 -6.561594961e-01 -6.561594961e-01 3.88 -6.329531285e-01 -6.329531285e-01 3.90 -6.104956276e-01 -6.104956276e-01 3.92 -5.888002270e-01 -5.888002270e-01 3.94 -5.678726289e-01 -5.678726289e-01 3.96 -5.477083442e-01 -5.477083442e-01 3.98 -5.282935882e-01 -5.282935882e-01 4.00 -5.096057273e-01 -5.096057273e-01 4.02 -4.916146661e-01 -4.916146661e-01 4.04 -4.742846048e-01 -4.742846048e-01 4.06 -4.575758889e-01 -4.575758889e-01 4.08 -4.414467439e-01 -4.414467439e-01 4.10 -4.258541493e-01 -4.258541493e-01 4.12 -4.107576363e-01 -4.107576363e-01 4.14 -3.961160986e-01 -3.961160986e-01 4.16 -3.818913879e-01 -3.818913879e-01 4.18 -3.680480635e-01 -3.680480635e-01 4.20 -3.545538214e-01 -3.545538214e-01 4.22 -3.413798829e-01 -3.413798829e-01 4.24 -3.285013848e-01 -3.285013848e-01 4.26 -3.158977904e-01 -3.158977904e-01 4.28 -3.035533168e-01 -3.035533168e-01 4.30 -2.914573482e-01 -2.914573482e-01 4.32 -2.796047846e-01 -2.796047846e-01 4.34 -2.679962522e-01 -2.679962522e-01 4.36 -2.566380974e-01 -2.566380974e-01 4.38 -2.455420852e-01 -2.455420852e-01 4.40 -2.347247488e-01 -2.347247488e-01 4.42 -2.242063707e-01 -2.242063707e-01 4.44 -2.140096289e-01 -2.140096289e-01 4.46 -2.041579972e-01 -2.041579972e-01 4.48 -1.946740349e-01 -1.946740349e-01 4.50 -1.855777326e-01 -1.855777326e-01 4.52 -1.768850793e-01 -1.768850793e-01 4.54 -1.686069893e-01 -1.686069893e-01 4.56 -1.607486746e-01 -1.607486746e-01 4.58 -1.533094863e-01 -1.533094863e-01 4.60 -1.462831860e-01 -1.462831860e-01 4.62 -1.396585644e-01 -1.396585644e-01 4.64 -1.334202929e-01 -1.334202929e-01 4.66 -1.275498959e-01 -1.275498959e-01 4.68 -1.220267386e-01 -1.220267386e-01 4.70 -1.168289492e-01 -1.168289492e-01 4.72 -1.119342074e-01 -1.119342074e-01 4.74 -1.073204090e-01 -1.073204090e-01 4.76 -1.029661666e-01 -1.029661666e-01 4.78 -9.885116389e-02 -9.885116389e-02 4.80 -9.495597505e-02 -9.495597505e-02 4.82 -9.126389068e-02 -9.126389068e-02 4.84 -8.775828129e-02 -8.775828129e-02 4.86 -8.442445377e-02 -8.442445377e-02 4.88 -8.124909305e-02 -8.124909305e-02 4.90 -7.822005197e-02 -7.822005197e-02 4.92 -7.532621468e-02 -7.532621468e-02 4.94 -7.255793663e-02 -7.255793663e-02 4.96 -6.990652080e-02 -6.990652080e-02 4.98 -6.736409597e-02 -6.736409597e-02 5.00 -6.492352619e-02 -6.492352619e-02 5.02 -6.257832619e-02 -6.257832619e-02 5.04 -6.032258441e-02 -6.032258441e-02 5.06 -5.815089437e-02 -5.815089437e-02 5.08 -5.605829471e-02 -5.605829471e-02 5.10 -5.404021776e-02 -5.404021776e-02 5.12 -5.209244659e-02 -5.209244659e-02 5.14 -5.021108019e-02 -5.021108019e-02 5.16 -4.839250641e-02 -4.839250641e-02 5.18 -4.663338250e-02 -4.663338250e-02 5.20 -4.493062247e-02 -4.493062247e-02 5.22 -4.328139117e-02 -4.328139117e-02 5.24 -4.168310396e-02 -4.168310396e-02 5.26 -4.013343138e-02 -4.013343138e-02 5.28 -3.863030716e-02 -3.863030716e-02 5.30 -3.717193808e-02 -3.717193808e-02 5.32 -3.575681335e-02 -3.575681335e-02 5.34 -3.438371099e-02 -3.438371099e-02 5.36 -3.305169837e-02 -3.305169837e-02 5.38 -3.176012366e-02 -3.176012366e-02 5.40 -3.050859609e-02 -3.050859609e-02 5.42 -2.929695337e-02 -2.929695337e-02 5.44 -2.812521545e-02 -2.812521545e-02 5.46 -2.699352592e-02 -2.699352592e-02 5.48 -2.590208412e-02 -2.590208412e-02 5.50 -2.485107238e-02 -2.485107238e-02 5.52 -2.384058416e-02 -2.384058416e-02 5.54 -2.287055910e-02 -2.287055910e-02 5.56 -2.194073052e-02 -2.194073052e-02 5.58 -2.105058938e-02 -2.105058938e-02 5.60 -2.019936699e-02 -2.019936699e-02 5.62 -1.938603627e-02 -1.938603627e-02 5.64 -1.860932967e-02 -1.860932967e-02 5.66 -1.786777014e-02 -1.786777014e-02 5.68 -1.715971085e-02 -1.715971085e-02 5.70 -1.648337922e-02 -1.648337922e-02 5.72 -1.583692127e-02 -1.583692127e-02 5.74 -1.521844245e-02 -1.521844245e-02 5.76 -1.462600508e-02 -1.462600508e-02 5.78 -1.405772230e-02 -1.405772230e-02 5.80 -1.351178447e-02 -1.351178447e-02 5.82 -1.298644808e-02 -1.298644808e-02 5.84 -1.248004783e-02 -1.248004783e-02 5.86 -1.199100413e-02 -1.199100413e-02 5.88 -1.151782725e-02 -1.151782725e-02 5.90 -1.105911917e-02 -1.105911917e-02 5.92 -1.061357403e-02 -1.061357403e-02 5.94 -1.017997817e-02 -1.017997817e-02 5.96 -9.757210438e-03 -9.757210438e-03 5.98 -9.344243317e-03 -9.344243317e-03 6.00 -8.940145283e-03 -8.940145283e-03