# 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 = AlCo2Pd # 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 1.579089085e+02 1.579089085e+02 1.30 1.458135629e+02 1.458135629e+02 1.32 1.346250715e+02 1.346250715e+02 1.34 1.242717289e+02 1.242717289e+02 1.36 1.146867750e+02 1.146867750e+02 1.38 1.058076696e+02 1.058076696e+02 1.40 9.757669053e+01 9.757669053e+01 1.42 8.994178063e+01 8.994178063e+01 1.44 8.285676317e+01 8.285676317e+01 1.46 7.628069606e+01 7.628069606e+01 1.48 7.017658414e+01 7.017658414e+01 1.50 6.451006825e+01 6.451006825e+01 1.52 5.924871605e+01 5.924871605e+01 1.54 5.436194724e+01 5.436194724e+01 1.56 4.982119100e+01 4.982119100e+01 1.58 4.559997286e+01 4.559997286e+01 1.60 4.167388338e+01 4.167388338e+01 1.62 3.802081320e+01 3.802081320e+01 1.64 3.463207035e+01 3.463207035e+01 1.66 3.149714718e+01 3.149714718e+01 1.68 2.859864497e+01 2.859864497e+01 1.70 2.591899429e+01 2.591899429e+01 1.72 2.344173986e+01 2.344173986e+01 1.74 2.115162568e+01 2.115162568e+01 1.76 1.903448460e+01 1.903448460e+01 1.78 1.707721381e+01 1.707721381e+01 1.80 1.526782785e+01 1.526782785e+01 1.82 1.359549142e+01 1.359549142e+01 1.84 1.205045063e+01 1.205045063e+01 1.86 1.062387617e+01 1.062387617e+01 1.88 9.307682822e+00 9.307682822e+00 1.90 8.094370096e+00 8.094370096e+00 1.92 6.976894797e+00 6.976894797e+00 1.94 5.948573896e+00 5.948573896e+00 1.96 5.003018065e+00 5.003018065e+00 1.98 4.134102350e+00 4.134102350e+00 2.00 3.335984219e+00 3.335984219e+00 2.02 2.603166795e+00 2.603166795e+00 2.04 1.930574250e+00 1.930574250e+00 2.06 1.313591188e+00 1.313591188e+00 2.08 7.480426660e-01 7.480426660e-01 2.10 2.301309310e-01 2.301309310e-01 2.12 -2.436369414e-01 -2.436369414e-01 2.14 -6.765040559e-01 -6.765040559e-01 2.16 -1.071491264e+00 -1.071491264e+00 2.18 -1.431400929e+00 -1.431400929e+00 2.20 -1.758808865e+00 -1.758808865e+00 2.22 -2.056058565e+00 -2.056058565e+00 2.24 -2.325266866e+00 -2.325266866e+00 2.26 -2.568341971e+00 -2.568341971e+00 2.28 -2.787009023e+00 -2.787009023e+00 2.30 -2.982837395e+00 -2.982837395e+00 2.32 -3.157266103e+00 -3.157266103e+00 2.34 -3.311625934e+00 -3.311625934e+00 2.36 -3.447158969e+00 -3.447158969e+00 2.38 -3.565036679e+00 -3.565036679e+00 2.40 -3.666378078e+00 -3.666378078e+00 2.42 -3.752268682e+00 -3.752268682e+00 2.44 -3.823789905e+00 -3.823789905e+00 2.46 -3.882101229e+00 -3.882101229e+00 2.48 -3.928220163e+00 -3.928220163e+00 2.50 -3.963150669e+00 -3.963150669e+00 2.52 -3.987916222e+00 -3.987916222e+00 2.54 -4.003543397e+00 -4.003543397e+00 2.56 -4.011085802e+00 -4.011085802e+00 2.58 -4.011879488e+00 -4.011879488e+00 2.60 -4.006997262e+00 -4.006997262e+00 2.62 -3.997708990e+00 -3.997708990e+00 2.64 -3.984245604e+00 -3.984245604e+00 2.66 -3.966775547e+00 -3.966775547e+00 2.68 -3.945460412e+00 -3.945460412e+00 2.70 -3.920429410e+00 -3.920429410e+00 2.72 -3.891775290e+00 -3.891775290e+00 2.74 -3.859588906e+00 -3.859588906e+00 2.76 -3.823967881e+00 -3.823967881e+00 2.78 -3.785014136e+00 -3.785014136e+00 2.80 -3.742833693e+00 -3.742833693e+00 2.82 -3.697542582e+00 -3.697542582e+00 2.84 -3.649273604e+00 -3.649273604e+00 2.86 -3.598180028e+00 -3.598180028e+00 2.88 -3.544437292e+00 -3.544437292e+00 2.90 -3.488243318e+00 -3.488243318e+00 2.92 -3.429817856e+00 -3.429817856e+00 2.94 -3.369401413e+00 -3.369401413e+00 2.96 -3.307254410e+00 -3.307254410e+00 2.98 -3.243657025e+00 -3.243657025e+00 3.00 -3.178909267e+00 -3.178909267e+00 3.02 -3.113329706e+00 -3.113329706e+00 3.04 -3.047250519e+00 -3.047250519e+00 3.06 -2.981007178e+00 -2.981007178e+00 3.08 -2.914922947e+00 -2.914922947e+00 3.10 -2.849291041e+00 -2.849291041e+00 3.12 -2.784358553e+00 -2.784358553e+00 3.14 -2.720316088e+00 -2.720316088e+00 3.16 -2.657294959e+00 -2.657294959e+00 3.18 -2.595371680e+00 -2.595371680e+00 3.20 -2.534577498e+00 -2.534577498e+00 3.22 -2.474910296e+00 -2.474910296e+00 3.24 -2.416346429e+00 -2.416346429e+00 3.26 -2.358850946e+00 -2.358850946e+00 3.28 -2.302385446e+00 -2.302385446e+00 3.30 -2.246913501e+00 -2.246913501e+00 3.32 -2.192403955e+00 -2.192403955e+00 3.34 -2.138832544e+00 -2.138832544e+00 3.36 -2.086182308e+00 -2.086182308e+00 3.38 -2.034443184e+00 -2.034443184e+00 3.40 -1.983611105e+00 -1.983611105e+00 3.42 -1.933686815e+00 -1.933686815e+00 3.44 -1.884674548e+00 -1.884674548e+00 3.46 -1.836580692e+00 -1.836580692e+00 3.48 -1.789412498e+00 -1.789412498e+00 3.50 -1.743176876e+00 -1.743176876e+00 3.52 -1.697879322e+00 -1.697879322e+00 3.54 -1.653522999e+00 -1.653522999e+00 3.56 -1.610107994e+00 -1.610107994e+00 3.58 -1.567630776e+00 -1.567630776e+00 3.60 -1.526083859e+00 -1.526083859e+00 3.62 -1.485455688e+00 -1.485455688e+00 3.64 -1.445730749e+00 -1.445730749e+00 3.66 -1.406889883e+00 -1.406889883e+00 3.68 -1.368910785e+00 -1.368910785e+00 3.70 -1.331768650e+00 -1.331768650e+00 3.72 -1.295436892e+00 -1.295436892e+00 3.74 -1.259887891e+00 -1.259887891e+00 3.76 -1.225093675e+00 -1.225093675e+00 3.78 -1.191026510e+00 -1.191026510e+00 3.80 -1.157659325e+00 -1.157659325e+00 3.82 -1.124965991e+00 -1.124965991e+00 3.84 -1.092921439e+00 -1.092921439e+00 3.86 -1.061501678e+00 -1.061501678e+00 3.88 -1.030683738e+00 -1.030683738e+00 3.90 -1.000445605e+00 -1.000445605e+00 3.92 -9.707661971e-01 -9.707661971e-01 3.94 -9.416254221e-01 -9.416254221e-01 3.96 -9.130043098e-01 -9.130043098e-01 3.98 -8.848852789e-01 -8.848852789e-01 4.00 -8.572524777e-01 -8.572524777e-01 4.02 -8.300921910e-01 -8.300921910e-01 4.04 -8.033932665e-01 -8.033932665e-01 4.06 -7.771475154e-01 -7.771475154e-01 4.08 -7.513500425e-01 -7.513500425e-01 4.10 -7.259994693e-01 -7.259994693e-01 4.12 -7.010980960e-01 -7.010980960e-01 4.14 -6.766518828e-01 -6.766518828e-01 4.16 -6.526704731e-01 -6.526704731e-01 4.18 -6.291671420e-01 -6.291671420e-01 4.20 -6.061587359e-01 -6.061587359e-01 4.22 -5.836655488e-01 -5.836655488e-01 4.24 -5.617110405e-01 -5.617110405e-01 4.26 -5.403212701e-01 -5.403212701e-01 4.28 -5.195239227e-01 -5.195239227e-01 4.30 -4.993468694e-01 -4.993468694e-01 4.32 -4.798163011e-01 -4.798163011e-01 4.34 -4.609545959e-01 -4.609545959e-01 4.36 -4.427781715e-01 -4.427781715e-01 4.38 -4.252956143e-01 -4.252956143e-01 4.40 -4.085063445e-01 -4.085063445e-01 4.42 -3.923999883e-01 -3.923999883e-01 4.44 -3.769565028e-01 -3.769565028e-01 4.46 -3.621469887e-01 -3.621469887e-01 4.48 -3.479350342e-01 -3.479350342e-01 4.50 -3.342783976e-01 -3.342783976e-01 4.52 -3.211308327e-01 -3.211308327e-01 4.54 -3.084438955e-01 -3.084438955e-01 4.56 -2.961686145e-01 -2.961686145e-01 4.58 -2.842569556e-01 -2.842569556e-01 4.60 -2.726630535e-01 -2.726630535e-01 4.62 -2.613442076e-01 -2.613442076e-01 4.64 -2.502616607e-01 -2.502616607e-01 4.66 -2.393811834e-01 -2.393811834e-01 4.68 -2.286734909e-01 -2.286734909e-01 4.70 -2.181145158e-01 -2.181145158e-01 4.72 -2.076855632e-01 -2.076855632e-01 4.74 -1.973733710e-01 -1.973733710e-01 4.76 -1.871701031e-01 -1.871701031e-01 4.78 -1.770733013e-01 -1.770733013e-01 4.80 -1.670858118e-01 -1.670858118e-01 4.82 -1.572157323e-01 -1.572157323e-01 4.84 -1.474762828e-01 -1.474762828e-01 4.86 -1.378856935e-01 -1.378856935e-01 4.88 -1.284669626e-01 -1.284669626e-01 4.90 -1.192474495e-01 -1.192474495e-01 4.92 -1.102582311e-01 -1.102582311e-01 4.94 -1.015331708e-01 -1.015331708e-01 4.96 -9.310768518e-02 -9.310768518e-02 4.98 -8.501724784e-02 -8.501724784e-02 5.00 -7.729573226e-02 -7.729573226e-02 5.02 -6.997372333e-02 -6.997372333e-02 5.04 -6.307696175e-02 -6.307696175e-02 5.06 -5.662507238e-02 -5.662507238e-02 5.08 -5.063052138e-02 -5.063052138e-02 5.10 -4.509838478e-02 -4.509838478e-02 5.12 -4.002681773e-02 -4.002681773e-02 5.14 -3.540703981e-02 -3.540703981e-02 5.16 -3.122416099e-02 -3.122416099e-02 5.18 -2.745824281e-02 -2.745824281e-02 5.20 -2.408546314e-02 -2.408546314e-02 5.22 -2.107928795e-02 -2.107928795e-02 5.24 -1.841157022e-02 -1.841157022e-02 5.26 -1.605352094e-02 -1.605352094e-02 5.28 -1.397642142e-02 -1.397642142e-02 5.30 -1.215226616e-02 -1.215226616e-02 5.32 -1.055476218e-02 -1.055476218e-02 5.34 -9.159179419e-03 -9.159179419e-03 5.36 -7.942560158e-03 -7.942560158e-03 5.38 -6.883849471e-03 -6.883849471e-03 5.40 -5.963933563e-03 -5.963933563e-03 5.42 -5.165609490e-03 -5.165609490e-03 5.44 -4.473506396e-03 -4.473506396e-03 5.46 -3.873974793e-03 -3.873974793e-03 5.48 -3.354956923e-03 -3.354956923e-03 5.50 -2.905848129e-03 -2.905848129e-03 5.52 -2.517356523e-03 -2.517356523e-03 5.54 -2.181366082e-03 -2.181366082e-03 5.56 -1.890806560e-03 -1.890806560e-03 5.58 -1.639532327e-03 -1.639532327e-03 5.60 -1.422211219e-03 -1.422211219e-03 5.62 -1.234223831e-03 -1.234223831e-03 5.64 -1.071573125e-03 -1.071573125e-03 5.66 -9.308039689e-04 -9.308039689e-04 5.68 -8.089319438e-04 -8.089319438e-04 5.70 -7.033807175e-04 -7.033807175e-04 5.72 -6.119271766e-04 -6.119271766e-04 5.74 -5.326535394e-04 -5.326535394e-04 5.76 -4.639056853e-04 -4.639056853e-04 5.78 -4.042569849e-04 -4.042569849e-04 5.80 -3.524769692e-04 -3.524769692e-04 5.82 -3.075042358e-04 -3.075042358e-04 5.84 -2.684230511e-04 -2.684230511e-04 5.86 -2.344431673e-04 -2.344431673e-04 5.88 -2.048824260e-04 -2.048824260e-04 5.90 -1.791517753e-04 -1.791517753e-04 5.92 -1.567423703e-04 -1.567423703e-04 5.94 -1.372144726e-04 -1.372144726e-04 5.96 -1.201878989e-04 -1.201878989e-04 5.98 -1.053338042e-04 -1.053338042e-04 6.00 -9.236761255e-05 -9.236761255e-05