# 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 = Al2CuFe # 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 1.010593563e+02 1.010593563e+02 1.30 9.319206496e+01 9.319206496e+01 1.32 8.591947828e+01 8.591947828e+01 1.34 7.919202938e+01 7.919202938e+01 1.36 7.296569674e+01 7.296569674e+01 1.38 6.720226771e+01 6.720226771e+01 1.40 6.186815711e+01 6.186815711e+01 1.42 5.693245045e+01 5.693245045e+01 1.44 5.236508082e+01 5.236508082e+01 1.46 4.813602375e+01 4.813602375e+01 1.48 4.421614007e+01 4.421614007e+01 1.50 4.057914334e+01 4.057914334e+01 1.52 3.720298305e+01 3.720298305e+01 1.54 3.406947058e+01 3.406947058e+01 1.56 3.116265204e+01 3.116265204e+01 1.58 2.846752847e+01 2.846752847e+01 1.60 2.596940250e+01 2.596940250e+01 1.62 2.365574120e+01 2.365574120e+01 1.64 2.151510944e+01 2.151510944e+01 1.66 1.953352608e+01 1.953352608e+01 1.68 1.769769059e+01 1.769769059e+01 1.70 1.599551274e+01 1.599551274e+01 1.72 1.441651784e+01 1.441651784e+01 1.74 1.295183009e+01 1.295183009e+01 1.76 1.159377218e+01 1.159377218e+01 1.78 1.033540127e+01 1.033540127e+01 1.80 9.170235448e+00 9.170235448e+00 1.82 8.092193257e+00 8.092193257e+00 1.84 7.095621923e+00 7.095621923e+00 1.86 6.175293690e+00 6.175293690e+00 1.88 5.326324842e+00 5.326324842e+00 1.90 4.544032993e+00 4.544032993e+00 1.92 3.823775838e+00 3.823775838e+00 1.94 3.160827285e+00 3.160827285e+00 1.96 2.550346638e+00 2.550346638e+00 1.98 1.987474473e+00 1.987474473e+00 2.00 1.467541614e+00 1.467541614e+00 2.02 9.863224219e-01 9.863224219e-01 2.04 5.402311980e-01 5.402311980e-01 2.06 1.263825377e-01 1.263825377e-01 2.08 -2.574929910e-01 -2.574929910e-01 2.10 -6.132199967e-01 -6.132199967e-01 2.12 -9.423602576e-01 -9.423602576e-01 2.14 -1.246354134e+00 -1.246354134e+00 2.16 -1.526603918e+00 -1.526603918e+00 2.18 -1.784504710e+00 -1.784504710e+00 2.20 -2.021438394e+00 -2.021438394e+00 2.22 -2.238748810e+00 -2.238748810e+00 2.24 -2.437713746e+00 -2.437713746e+00 2.26 -2.619524039e+00 -2.619524039e+00 2.28 -2.785273392e+00 -2.785273392e+00 2.30 -2.935956616e+00 -2.935956616e+00 2.32 -3.072471156e+00 -3.072471156e+00 2.34 -3.195617080e+00 -3.195617080e+00 2.36 -3.306095924e+00 -3.306095924e+00 2.38 -3.404513096e+00 -3.404513096e+00 2.40 -3.491390145e+00 -3.491390145e+00 2.42 -3.567189490e+00 -3.567189490e+00 2.44 -3.632348578e+00 -3.632348578e+00 2.46 -3.687316639e+00 -3.687316639e+00 2.48 -3.732586865e+00 -3.732586865e+00 2.50 -3.768719454e+00 -3.768719454e+00 2.52 -3.796354506e+00 -3.796354506e+00 2.54 -3.816216051e+00 -3.816216051e+00 2.56 -3.829286017e+00 -3.829286017e+00 2.58 -3.837030207e+00 -3.837030207e+00 2.60 -3.841031349e+00 -3.841031349e+00 2.62 -3.841385416e+00 -3.841385416e+00 2.64 -3.838251646e+00 -3.838251646e+00 2.66 -3.831838917e+00 -3.831838917e+00 2.68 -3.822345406e+00 -3.822345406e+00 2.70 -3.809926559e+00 -3.809926559e+00 2.72 -3.794708246e+00 -3.794708246e+00 2.74 -3.776762384e+00 -3.776762384e+00 2.76 -3.756080317e+00 -3.756080317e+00 2.78 -3.732609413e+00 -3.732609413e+00 2.80 -3.706302206e+00 -3.706302206e+00 2.82 -3.677124291e+00 -3.677124291e+00 2.84 -3.645058365e+00 -3.645058365e+00 2.86 -3.610106399e+00 -3.610106399e+00 2.88 -3.572290351e+00 -3.572290351e+00 2.90 -3.531652190e+00 -3.531652190e+00 2.92 -3.488254447e+00 -3.488254447e+00 2.94 -3.442182626e+00 -3.442182626e+00 2.96 -3.393550298e+00 -3.393550298e+00 2.98 -3.342506582e+00 -3.342506582e+00 3.00 -3.289244321e+00 -3.289244321e+00 3.02 -3.234005961e+00 -3.234005961e+00 3.04 -3.177083713e+00 -3.177083713e+00 3.06 -3.118811471e+00 -3.118811471e+00 3.08 -3.059547924e+00 -3.059547924e+00 3.10 -2.999653561e+00 -2.999653561e+00 3.12 -2.939466205e+00 -2.939466205e+00 3.14 -2.879280704e+00 -2.879280704e+00 3.16 -2.819336750e+00 -2.819336750e+00 3.18 -2.759816535e+00 -2.759816535e+00 3.20 -2.700850742e+00 -2.700850742e+00 3.22 -2.642529803e+00 -2.642529803e+00 3.24 -2.584916835e+00 -2.584916835e+00 3.26 -2.528059290e+00 -2.528059290e+00 3.28 -2.471997523e+00 -2.471997523e+00 3.30 -2.416769733e+00 -2.416769733e+00 3.32 -2.362413593e+00 -2.362413593e+00 3.34 -2.308965508e+00 -2.308965508e+00 3.36 -2.256458545e+00 -2.256458545e+00 3.38 -2.204920066e+00 -2.204920066e+00 3.40 -2.154369767e+00 -2.154369767e+00 3.42 -2.104818564e+00 -2.104818564e+00 3.44 -2.056268369e+00 -2.056268369e+00 3.46 -2.008712708e+00 -2.008712708e+00 3.48 -1.962137870e+00 -1.962137870e+00 3.50 -1.916524331e+00 -1.916524331e+00 3.52 -1.871848205e+00 -1.871848205e+00 3.54 -1.828082578e+00 -1.828082578e+00 3.56 -1.785198613e+00 -1.785198613e+00 3.58 -1.743166456e+00 -1.743166456e+00 3.60 -1.701955946e+00 -1.701955946e+00 3.62 -1.661537212e+00 -1.661537212e+00 3.64 -1.621881214e+00 -1.621881214e+00 3.66 -1.582960299e+00 -1.582960299e+00 3.68 -1.544748784e+00 -1.544748784e+00 3.70 -1.507223599e+00 -1.507223599e+00 3.72 -1.470364941e+00 -1.470364941e+00 3.74 -1.434156874e+00 -1.434156874e+00 3.76 -1.398587773e+00 -1.398587773e+00 3.78 -1.363650483e+00 -1.363650483e+00 3.80 -1.329342060e+00 -1.329342060e+00 3.82 -1.295663007e+00 -1.295663007e+00 3.84 -1.262615990e+00 -1.262615990e+00 3.86 -1.230204097e+00 -1.230204097e+00 3.88 -1.198428822e+00 -1.198428822e+00 3.90 -1.167288033e+00 -1.167288033e+00 3.92 -1.136774175e+00 -1.136774175e+00 3.94 -1.106873006e+00 -1.106873006e+00 3.96 -1.077562900e+00 -1.077562900e+00 3.98 -1.048814903e+00 -1.048814903e+00 4.00 -1.020593386e+00 -1.020593386e+00 4.02 -9.928571963e-01 -9.928571963e-01 4.04 -9.655611778e-01 -9.655611778e-01 4.06 -9.386579106e-01 -9.386579106e-01 4.08 -9.120995890e-01 -9.120995890e-01 4.10 -8.858399622e-01 -8.858399622e-01 4.12 -8.598364260e-01 -8.598364260e-01 4.14 -8.340519594e-01 -8.340519594e-01 4.16 -8.084572752e-01 -8.084572752e-01 4.18 -7.830328065e-01 -7.830328065e-01 4.20 -7.577705455e-01 -7.577705455e-01 4.22 -7.326755469e-01 -7.326755469e-01 4.24 -7.077668972e-01 -7.077668972e-01 4.26 -6.830779425e-01 -6.830779425e-01 4.28 -6.586556011e-01 -6.586556011e-01 4.30 -6.345586639e-01 -6.345586639e-01 4.32 -6.108551053e-01 -6.108551053e-01 4.34 -5.876185568e-01 -5.876185568e-01 4.36 -5.649242260e-01 -5.649242260e-01 4.38 -5.428446219e-01 -5.428446219e-01 4.40 -5.214454764e-01 -5.214454764e-01 4.42 -5.007822074e-01 -5.007822074e-01 4.44 -4.808971802e-01 -4.808971802e-01 4.46 -4.618179068e-01 -4.618179068e-01 4.48 -4.435562089e-01 -4.435562089e-01 4.50 -4.261082766e-01 -4.261082766e-01 4.52 -4.094554959e-01 -4.094554959e-01 4.54 -3.935658790e-01 -3.935658790e-01 4.56 -3.783959279e-01 -3.783959279e-01 4.58 -3.638927673e-01 -3.638927673e-01 4.60 -3.499964032e-01 -3.499964032e-01 4.62 -3.366419512e-01 -3.366419512e-01 4.64 -3.237617668e-01 -3.237617668e-01 4.66 -3.112874411e-01 -3.112874411e-01 4.68 -2.991516204e-01 -2.991516204e-01 4.70 -2.872895809e-01 -2.872895809e-01 4.72 -2.756401678e-01 -2.756401678e-01 4.74 -2.641485221e-01 -2.641485221e-01 4.76 -2.527664889e-01 -2.527664889e-01 4.78 -2.414534494e-01 -2.414534494e-01 4.80 -2.301774690e-01 -2.301774690e-01 4.82 -2.189163627e-01 -2.189163627e-01 4.84 -2.076584697e-01 -2.076584697e-01 4.86 -1.964033200e-01 -1.964033200e-01 4.88 -1.851619205e-01 -1.851619205e-01 4.90 -1.739566481e-01 -1.739566481e-01 4.92 -1.628206473e-01 -1.628206473e-01 4.94 -1.517966788e-01 -1.517966788e-01 4.96 -1.409354027e-01 -1.409354027e-01 4.98 -1.302931468e-01 -1.302931468e-01 5.00 -1.199292705e-01 -1.199292705e-01 5.02 -1.099032967e-01 -1.099032967e-01 5.04 -1.002720229e-01 -1.002720229e-01 5.06 -9.108683915e-02 -9.108683915e-02 5.08 -8.239145839e-02 -8.239145839e-02 5.10 -7.422022223e-02 -7.422022223e-02 5.12 -6.659707583e-02 -6.659707583e-02 5.14 -5.953523095e-02 -5.953523095e-02 5.16 -5.303746655e-02 -5.303746655e-02 5.18 -4.709696088e-02 -4.709696088e-02 5.20 -4.169851586e-02 -4.169851586e-02 5.22 -3.682002307e-02 -3.682002307e-02 5.24 -3.243402891e-02 -3.243402891e-02 5.26 -2.850927825e-02 -2.850927825e-02 5.28 -2.501214599e-02 -2.501214599e-02 5.30 -2.190788972e-02 -2.190788972e-02 5.32 -1.916170368e-02 -1.916170368e-02 5.34 -1.673955593e-02 -1.673955593e-02 5.36 -1.460881331e-02 -1.460881331e-02 5.38 -1.273824226e-02 -1.273824226e-02 5.40 -1.109927908e-02 -1.109927908e-02 5.42 -9.665899158e-03 -9.665899158e-03 5.44 -8.414240835e-03 -8.414240835e-03 5.46 -7.322647190e-03 -7.322647190e-03 5.48 -6.371625483e-03 -6.371625483e-03 5.50 -5.543751014e-03 -5.543751014e-03 5.52 -4.823536147e-03 -4.823536147e-03 5.54 -4.197279960e-03 -4.197279960e-03 5.56 -3.652909788e-03 -3.652909788e-03 5.58 -3.179822577e-03 -3.179822577e-03 5.60 -2.768731378e-03 -2.768731378e-03 5.62 -2.411520406e-03 -2.411520406e-03 5.64 -2.101110607e-03 -2.101110607e-03 5.66 -1.831336717e-03 -1.831336717e-03 5.68 -1.596836019e-03 -1.596836019e-03 5.70 -1.392948567e-03 -1.392948567e-03 5.72 -1.215628312e-03 -1.215628312e-03 5.74 -1.061364385e-03 -1.061364385e-03 5.76 -9.271116996e-04 -9.271116996e-04 5.78 -8.102300148e-04 -8.102300148e-04 5.80 -7.084305770e-04 -7.084305770e-04 5.82 -6.197295375e-04 -6.197295375e-04 5.84 -5.424073618e-04 -5.424073618e-04 5.86 -4.749735263e-04 -4.749735263e-04 5.88 -4.161358566e-04 -4.161358566e-04 5.90 -3.647739290e-04 -3.647739290e-04 5.92 -3.199160170e-04 -3.199160170e-04 5.94 -2.807191258e-04 -2.807191258e-04 5.96 -2.464517111e-04 -2.464517111e-04 5.98 -2.164787265e-04 -2.164787265e-04 6.00 -1.902486906e-04 -1.902486906e-04