# 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 = Cu2PbTa # 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 2.522878319e+02 2.522878319e+02 1.30 2.342838207e+02 2.342838207e+02 1.32 2.175752703e+02 2.175752703e+02 1.34 2.020604168e+02 2.020604168e+02 1.36 1.876463289e+02 1.876463289e+02 1.38 1.742470806e+02 1.742470806e+02 1.40 1.617838771e+02 1.617838771e+02 1.42 1.501860373e+02 1.501860373e+02 1.44 1.393912281e+02 1.393912281e+02 1.46 1.293444225e+02 1.293444225e+02 1.48 1.199959642e+02 1.199959642e+02 1.50 1.112993057e+02 1.112993057e+02 1.52 1.032090947e+02 1.032090947e+02 1.54 9.568031680e+01 9.568031680e+01 1.56 8.866875556e+01 8.866875556e+01 1.58 8.213236972e+01 8.213236972e+01 1.60 7.603276139e+01 7.603276139e+01 1.62 7.033609079e+01 7.033609079e+01 1.64 6.501313246e+01 6.501313246e+01 1.66 6.003864643e+01 6.003864643e+01 1.68 5.539069202e+01 5.539069202e+01 1.70 5.105327324e+01 5.105327324e+01 1.72 4.700854880e+01 4.700854880e+01 1.74 4.323890480e+01 4.323890480e+01 1.76 3.973246477e+01 3.973246477e+01 1.78 3.647302020e+01 3.647302020e+01 1.80 3.344388071e+01 3.344388071e+01 1.82 3.062934638e+01 3.062934638e+01 1.84 2.801471715e+01 2.801471715e+01 1.86 2.558639031e+01 2.558639031e+01 1.88 2.333187156e+01 2.333187156e+01 1.90 2.123964152e+01 2.123964152e+01 1.92 1.929892235e+01 1.929892235e+01 1.94 1.749944039e+01 1.749944039e+01 1.96 1.583124888e+01 1.583124888e+01 1.98 1.428467483e+01 1.428467483e+01 2.00 1.285038338e+01 1.285038338e+01 2.02 1.151952891e+01 1.151952891e+01 2.04 1.028393287e+01 1.028393287e+01 2.06 9.136226423e+00 9.136226423e+00 2.08 8.069910790e+00 8.069910790e+00 2.10 7.079322255e+00 7.079322255e+00 2.12 6.159523482e+00 6.159523482e+00 2.14 5.306153847e+00 5.306153847e+00 2.16 4.515281021e+00 4.515281021e+00 2.18 3.783276416e+00 3.783276416e+00 2.20 3.106722187e+00 3.106722187e+00 2.22 2.482353551e+00 2.482353551e+00 2.24 1.907024683e+00 1.907024683e+00 2.26 1.377686555e+00 1.377686555e+00 2.28 8.913605707e-01 8.913605707e-01 2.30 4.451122831e-01 4.451122831e-01 2.32 3.601908552e-02 3.601908552e-02 2.34 -3.387487443e-01 -3.387487443e-01 2.36 -6.820141957e-01 -6.820141957e-01 2.38 -9.967943171e-01 -9.967943171e-01 2.40 -1.285873905e+00 -1.285873905e+00 2.42 -1.551723498e+00 -1.551723498e+00 2.44 -1.796467050e+00 -1.796467050e+00 2.46 -2.021810624e+00 -2.021810624e+00 2.48 -2.228857221e+00 -2.228857221e+00 2.50 -2.418542457e+00 -2.418542457e+00 2.52 -2.591761274e+00 -2.591761274e+00 2.54 -2.749363053e+00 -2.749363053e+00 2.56 -2.892156286e+00 -2.892156286e+00 2.58 -3.020917791e+00 -3.020917791e+00 2.60 -3.136403221e+00 -3.136403221e+00 2.62 -3.239356591e+00 -3.239356591e+00 2.64 -3.330521030e+00 -3.330521030e+00 2.66 -3.410640898e+00 -3.410640898e+00 2.68 -3.480465857e+00 -3.480465857e+00 2.70 -3.540745733e+00 -3.540745733e+00 2.72 -3.592219584e+00 -3.592219584e+00 2.74 -3.635599488e+00 -3.635599488e+00 2.76 -3.671552398e+00 -3.671552398e+00 2.78 -3.700684568e+00 -3.700684568e+00 2.80 -3.723533419e+00 -3.723533419e+00 2.82 -3.740725980e+00 -3.740725980e+00 2.84 -3.752887601e+00 -3.752887601e+00 2.86 -3.760056637e+00 -3.760056637e+00 2.88 -3.762283091e+00 -3.762283091e+00 2.90 -3.759656093e+00 -3.759656093e+00 2.92 -3.752302361e+00 -3.752302361e+00 2.94 -3.740382862e+00 -3.740382862e+00 2.96 -3.724087790e+00 -3.724087790e+00 2.98 -3.703630248e+00 -3.703630248e+00 3.00 -3.679241237e+00 -3.679241237e+00 3.02 -3.651186374e+00 -3.651186374e+00 3.04 -3.619741669e+00 -3.619741669e+00 3.06 -3.585172654e+00 -3.585172654e+00 3.08 -3.547722271e+00 -3.547722271e+00 3.10 -3.507611590e+00 -3.507611590e+00 3.12 -3.465035508e+00 -3.465035508e+00 3.14 -3.420164157e+00 -3.420164157e+00 3.16 -3.373146315e+00 -3.373146315e+00 3.18 -3.324154343e+00 -3.324154343e+00 3.20 -3.273231134e+00 -3.273231134e+00 3.22 -3.220386961e+00 -3.220386961e+00 3.24 -3.165639072e+00 -3.165639072e+00 3.26 -3.109019053e+00 -3.109019053e+00 3.28 -3.050576764e+00 -3.050576764e+00 3.30 -2.990358547e+00 -2.990358547e+00 3.32 -2.928432726e+00 -2.928432726e+00 3.34 -2.864912973e+00 -2.864912973e+00 3.36 -2.799955394e+00 -2.799955394e+00 3.38 -2.733750982e+00 -2.733750982e+00 3.40 -2.666514327e+00 -2.666514327e+00 3.42 -2.598471267e+00 -2.598471267e+00 3.44 -2.529844405e+00 -2.529844405e+00 3.46 -2.460842140e+00 -2.460842140e+00 3.48 -2.391649366e+00 -2.391649366e+00 3.50 -2.322421767e+00 -2.322421767e+00 3.52 -2.253283605e+00 -2.253283605e+00 3.54 -2.184328661e+00 -2.184328661e+00 3.56 -2.115623786e+00 -2.115623786e+00 3.58 -2.047214382e+00 -2.047214382e+00 3.60 -1.979131168e+00 -1.979131168e+00 3.62 -1.911397669e+00 -1.911397669e+00 3.64 -1.844037907e+00 -1.844037907e+00 3.66 -1.777083843e+00 -1.777083843e+00 3.68 -1.710582168e+00 -1.710582168e+00 3.70 -1.644599994e+00 -1.644599994e+00 3.72 -1.579229057e+00 -1.579229057e+00 3.74 -1.514588025e+00 -1.514588025e+00 3.76 -1.450822586e+00 -1.450822586e+00 3.78 -1.388103102e+00 -1.388103102e+00 3.80 -1.326619787e+00 -1.326619787e+00 3.82 -1.266575581e+00 -1.266575581e+00 3.84 -1.208177173e+00 -1.208177173e+00 3.86 -1.151624859e+00 -1.151624859e+00 3.88 -1.097102149e+00 -1.097102149e+00 3.90 -1.044766134e+00 -1.044766134e+00 3.92 -9.947390776e-01 -9.947390776e-01 3.94 -9.471050056e-01 -9.471050056e-01 3.96 -9.019038896e-01 -9.019038896e-01 3.98 -8.591342012e-01 -8.591342012e-01 4.00 -8.187551302e-01 -8.187551302e-01 4.02 -7.806913483e-01 -7.806913483e-01 4.04 -7.448390075e-01 -7.448390075e-01 4.06 -7.110722796e-01 -7.110722796e-01 4.08 -6.792498556e-01 -6.792498556e-01 4.10 -6.492199764e-01 -6.492199764e-01 4.12 -6.208299428e-01 -6.208299428e-01 4.14 -5.939240129e-01 -5.939240129e-01 4.16 -5.683517190e-01 -5.683517190e-01 4.18 -5.439696072e-01 -5.439696072e-01 4.20 -5.206436117e-01 -5.206436117e-01 4.22 -4.982509768e-01 -4.982509768e-01 4.24 -4.766818458e-01 -4.766818458e-01 4.26 -4.558406054e-01 -4.558406054e-01 4.28 -4.356470221e-01 -4.356470221e-01 4.30 -4.160371562e-01 -4.160371562e-01 4.32 -3.969639814e-01 -3.969639814e-01 4.34 -3.783975949e-01 -3.783975949e-01 4.36 -3.603248755e-01 -3.603248755e-01 4.38 -3.427484550e-01 -3.427484550e-01 4.40 -3.256849035e-01 -3.256849035e-01 4.42 -3.091621152e-01 -3.091621152e-01 4.44 -2.932159809e-01 -2.932159809e-01 4.46 -2.778865554e-01 -2.778865554e-01 4.48 -2.632140236e-01 -2.632140236e-01 4.50 -2.492348307e-01 -2.492348307e-01 4.52 -2.359783348e-01 -2.359783348e-01 4.54 -2.234642790e-01 -2.234642790e-01 4.56 -2.117012625e-01 -2.117012625e-01 4.58 -2.006862498e-01 -2.006862498e-01 4.60 -1.904050310e-01 -1.904050310e-01 4.62 -1.808334533e-01 -1.808334533e-01 4.64 -1.719391650e-01 -1.719391650e-01 4.66 -1.636836119e-01 -1.636836119e-01 4.68 -1.560240797e-01 -1.560240797e-01 4.70 -1.489155997e-01 -1.489155997e-01 4.72 -1.423119657e-01 -1.423119657e-01 4.74 -1.361684192e-01 -1.361684192e-01 4.76 -1.304424573e-01 -1.304424573e-01 4.78 -1.250937328e-01 -1.250937328e-01 4.80 -1.200838396e-01 -1.200838396e-01 4.82 -1.153799365e-01 -1.153799365e-01 4.84 -1.109496712e-01 -1.109496712e-01 4.86 -1.067647550e-01 -1.067647550e-01 4.88 -1.027998771e-01 -1.027998771e-01 4.90 -9.903251036e-02 -9.903251036e-02 4.92 -9.544268627e-02 -9.544268627e-02 4.94 -9.201276101e-02 -9.201276101e-02 4.96 -8.872718878e-02 -8.872718878e-02 4.98 -8.557230975e-02 -8.557230975e-02 5.00 -8.253615913e-02 -8.253615913e-02 5.02 -7.960829995e-02 -7.960829995e-02 5.04 -7.677967998e-02 -7.677967998e-02 5.06 -7.404251123e-02 -7.404251123e-02 5.08 -7.139017013e-02 -7.139017013e-02 5.10 -6.881711368e-02 -6.881711368e-02 5.12 -6.631880585e-02 -6.631880585e-02 5.14 -6.389165082e-02 -6.389165082e-02 5.16 -6.153292657e-02 -6.153292657e-02 5.18 -5.924071328e-02 -5.924071328e-02 5.20 -5.701381195e-02 -5.701381195e-02 5.22 -5.485164939e-02 -5.485164939e-02 5.24 -5.275416810e-02 -5.275416810e-02 5.26 -5.072169404e-02 -5.072169404e-02 5.28 -4.875472338e-02 -4.875472338e-02 5.30 -4.685396424e-02 -4.685396424e-02 5.32 -4.502012528e-02 -4.502012528e-02 5.34 -4.325374292e-02 -4.325374292e-02 5.36 -4.155506490e-02 -4.155506490e-02 5.38 -3.992395796e-02 -3.992395796e-02 5.40 -3.835984454e-02 -3.835984454e-02 5.42 -3.686167056e-02 -3.686167056e-02 5.44 -3.542790356e-02 -3.542790356e-02 5.46 -3.405655794e-02 -3.405655794e-02 5.48 -3.274524210e-02 -3.274524210e-02 5.50 -3.149122139e-02 -3.149122139e-02 5.52 -3.029149017e-02 -3.029149017e-02 5.54 -2.914284723e-02 -2.914284723e-02 5.56 -2.804196934e-02 -2.804196934e-02 5.58 -2.698547941e-02 -2.698547941e-02 5.60 -2.597000658e-02 -2.597000658e-02 5.62 -2.499223737e-02 -2.499223737e-02 5.64 -2.404895721e-02 -2.404895721e-02 5.66 -2.313708360e-02 -2.313708360e-02 5.68 -2.225369154e-02 -2.225369154e-02 5.70 -2.139603282e-02 -2.139603282e-02 5.72 -2.056155057e-02 -2.056155057e-02 5.74 -1.974789052e-02 -1.974789052e-02 5.76 -1.895291029e-02 -1.895291029e-02 5.78 -1.817468766e-02 -1.817468766e-02 5.80 -1.741152863e-02 -1.741152863e-02 5.82 -1.666197564e-02 -1.666197564e-02 5.84 -1.592481616e-02 -1.592481616e-02 5.86 -1.519909124e-02 -1.519909124e-02 5.88 -1.448410371e-02 -1.448410371e-02 5.90 -1.377942497e-02 -1.377942497e-02 5.92 -1.308489944e-02 -1.308489944e-02 5.94 -1.240063396e-02 -1.240063396e-02 5.96 -1.172695276e-02 -1.172695276e-02 5.98 -1.106450774e-02 -1.106450774e-02 6.00 -1.041420393e-02 -1.041420393e-02