# 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 = Al2CoZr # 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 1.517387700e+02 1.517387700e+02 1.30 1.409285638e+02 1.409285638e+02 1.32 1.308977529e+02 1.308977529e+02 1.34 1.215848983e+02 1.215848983e+02 1.36 1.129335058e+02 1.129335058e+02 1.38 1.048928738e+02 1.048928738e+02 1.40 9.741776941e+01 9.741776941e+01 1.42 9.046688303e+01 9.046688303e+01 1.44 8.400100930e+01 8.400100930e+01 1.46 7.798213539e+01 7.798213539e+01 1.48 7.237409141e+01 7.237409141e+01 1.50 6.714412574e+01 6.714412574e+01 1.52 6.226396622e+01 6.226396622e+01 1.54 5.770949089e+01 5.770949089e+01 1.56 5.345956426e+01 5.345956426e+01 1.58 4.949486659e+01 4.949486659e+01 1.60 4.579708025e+01 4.579708025e+01 1.62 4.234836727e+01 4.234836727e+01 1.64 3.913113566e+01 3.913113566e+01 1.66 3.612808020e+01 3.612808020e+01 1.68 3.332254205e+01 3.332254205e+01 1.70 3.069907924e+01 3.069907924e+01 1.72 2.824397809e+01 2.824397809e+01 1.74 2.594556799e+01 2.594556799e+01 1.76 2.379304742e+01 2.379304742e+01 1.78 2.177680874e+01 2.177680874e+01 1.80 1.988845082e+01 1.988845082e+01 1.82 1.812019440e+01 1.812019440e+01 1.84 1.646734753e+01 1.646734753e+01 1.86 1.492340983e+01 1.492340983e+01 1.88 1.348180990e+01 1.348180990e+01 1.90 1.213640823e+01 1.213640823e+01 1.92 1.088136008e+01 1.088136008e+01 1.94 9.710987173e+00 9.710987173e+00 1.96 8.619726071e+00 8.619726071e+00 1.98 7.602182155e+00 7.602182155e+00 2.00 6.653262628e+00 6.653262628e+00 2.02 5.768314506e+00 5.768314506e+00 2.04 4.943201893e+00 4.943201893e+00 2.06 4.174277568e+00 4.174277568e+00 2.08 3.458258080e+00 3.458258080e+00 2.10 2.792077058e+00 2.792077058e+00 2.12 2.172765412e+00 2.172765412e+00 2.14 1.597400099e+00 1.597400099e+00 2.16 1.063116344e+00 1.063116344e+00 2.18 5.671463815e-01 5.671463815e-01 2.20 1.068711596e-01 1.068711596e-01 2.22 -3.201532545e-01 -3.201532545e-01 2.24 -7.161776071e-01 -7.161776071e-01 2.26 -1.083248690e+00 -1.083248690e+00 2.28 -1.423211723e+00 -1.423211723e+00 2.30 -1.737696067e+00 -1.737696067e+00 2.32 -2.028141405e+00 -2.028141405e+00 2.34 -2.295809639e+00 -2.295809639e+00 2.36 -2.541824569e+00 -2.541824569e+00 2.38 -2.767207784e+00 -2.767207784e+00 2.40 -2.972916701e+00 -2.972916701e+00 2.42 -3.159884326e+00 -3.159884326e+00 2.44 -3.329045429e+00 -3.329045429e+00 2.46 -3.481361157e+00 -3.481361157e+00 2.48 -3.617826576e+00 -3.617826576e+00 2.50 -3.739518402e+00 -3.739518402e+00 2.52 -3.847489652e+00 -3.847489652e+00 2.54 -3.942745760e+00 -3.942745760e+00 2.56 -4.026325674e+00 -4.026325674e+00 2.58 -4.099297039e+00 -4.099297039e+00 2.60 -4.162741870e+00 -4.162741870e+00 2.62 -4.217724796e+00 -4.217724796e+00 2.64 -4.265251486e+00 -4.265251486e+00 2.66 -4.306129658e+00 -4.306129658e+00 2.68 -4.340928282e+00 -4.340928282e+00 2.70 -4.370109818e+00 -4.370109818e+00 2.72 -4.394065259e+00 -4.394065259e+00 2.74 -4.413040056e+00 -4.413040056e+00 2.76 -4.427214370e+00 -4.427214370e+00 2.78 -4.436735172e+00 -4.436735172e+00 2.80 -4.441738547e+00 -4.441738547e+00 2.82 -4.442346956e+00 -4.442346956e+00 2.84 -4.438683798e+00 -4.438683798e+00 2.86 -4.430874658e+00 -4.430874658e+00 2.88 -4.419050150e+00 -4.419050150e+00 2.90 -4.403340125e+00 -4.403340125e+00 2.92 -4.383856965e+00 -4.383856965e+00 2.94 -4.361030624e+00 -4.361030624e+00 2.96 -4.336011646e+00 -4.336011646e+00 2.98 -4.308691788e+00 -4.308691788e+00 3.00 -4.278918029e+00 -4.278918029e+00 3.02 -4.246623410e+00 -4.246623410e+00 3.04 -4.211816708e+00 -4.211816708e+00 3.06 -4.174579112e+00 -4.174579112e+00 3.08 -4.135035680e+00 -4.135035680e+00 3.10 -4.093347248e+00 -4.093347248e+00 3.12 -4.049692079e+00 -4.049692079e+00 3.14 -4.004272568e+00 -4.004272568e+00 3.16 -3.957277426e+00 -3.957277426e+00 3.18 -3.908873567e+00 -3.908873567e+00 3.20 -3.859204363e+00 -3.859204363e+00 3.22 -3.808393572e+00 -3.808393572e+00 3.24 -3.756551637e+00 -3.756551637e+00 3.26 -3.703782749e+00 -3.703782749e+00 3.28 -3.650191048e+00 -3.650191048e+00 3.30 -3.595884543e+00 -3.595884543e+00 3.32 -3.540975916e+00 -3.540975916e+00 3.34 -3.485580251e+00 -3.485580251e+00 3.36 -3.429810699e+00 -3.429810699e+00 3.38 -3.373773667e+00 -3.373773667e+00 3.40 -3.317564104e+00 -3.317564104e+00 3.42 -3.261267875e+00 -3.261267875e+00 3.44 -3.204955595e+00 -3.204955595e+00 3.46 -3.148689147e+00 -3.148689147e+00 3.48 -3.092522940e+00 -3.092522940e+00 3.50 -3.036506274e+00 -3.036506274e+00 3.52 -2.980685071e+00 -2.980685071e+00 3.54 -2.925102796e+00 -2.925102796e+00 3.56 -2.869800658e+00 -2.869800658e+00 3.58 -2.814817273e+00 -2.814817273e+00 3.60 -2.760188058e+00 -2.760188058e+00 3.62 -2.705944562e+00 -2.705944562e+00 3.64 -2.652113928e+00 -2.652113928e+00 3.66 -2.598718612e+00 -2.598718612e+00 3.68 -2.545776439e+00 -2.545776439e+00 3.70 -2.493301045e+00 -2.493301045e+00 3.72 -2.441302704e+00 -2.441302704e+00 3.74 -2.389789494e+00 -2.389789494e+00 3.76 -2.338768704e+00 -2.338768704e+00 3.78 -2.288248342e+00 -2.288248342e+00 3.80 -2.238238508e+00 -2.238238508e+00 3.82 -2.188752386e+00 -2.188752386e+00 3.84 -2.139806583e+00 -2.139806583e+00 3.86 -2.091420612e+00 -2.091420612e+00 3.88 -2.043615487e+00 -2.043615487e+00 3.90 -1.996411558e+00 -1.996411558e+00 3.92 -1.949824740e+00 -1.949824740e+00 3.94 -1.903869229e+00 -1.903869229e+00 3.96 -1.858547517e+00 -1.858547517e+00 3.98 -1.813855236e+00 -1.813855236e+00 4.00 -1.769779780e+00 -1.769779780e+00 4.02 -1.726301411e+00 -1.726301411e+00 4.04 -1.683395049e+00 -1.683395049e+00 4.06 -1.641032453e+00 -1.641032453e+00 4.08 -1.599184541e+00 -1.599184541e+00 4.10 -1.557819718e+00 -1.557819718e+00 4.12 -1.516922655e+00 -1.516922655e+00 4.14 -1.476470208e+00 -1.476470208e+00 4.16 -1.436451770e+00 -1.436451770e+00 4.18 -1.396866161e+00 -1.396866161e+00 4.20 -1.357723130e+00 -1.357723130e+00 4.22 -1.319044422e+00 -1.319044422e+00 4.24 -1.280864193e+00 -1.280864193e+00 4.26 -1.243228546e+00 -1.243228546e+00 4.28 -1.206194038e+00 -1.206194038e+00 4.30 -1.169825097e+00 -1.169825097e+00 4.32 -1.134190464e+00 -1.134190464e+00 4.34 -1.099358943e+00 -1.099358943e+00 4.36 -1.065394881e+00 -1.065394881e+00 4.38 -1.032353868e+00 -1.032353868e+00 4.40 -1.000279133e+00 -1.000279133e+00 4.42 -9.691989757e-01 -9.691989757e-01 4.44 -9.391254409e-01 -9.391254409e-01 4.46 -9.100542111e-01 -9.100542111e-01 4.48 -8.819655739e-01 -8.819655739e-01 4.50 -8.548261912e-01 -8.548261912e-01 4.52 -8.285913651e-01 -8.285913651e-01 4.54 -8.032075105e-01 -8.032075105e-01 4.56 -7.786145981e-01 -7.786145981e-01 4.58 -7.547484023e-01 -7.547484023e-01 4.60 -7.315424684e-01 -7.315424684e-01 4.62 -7.089297709e-01 -7.089297709e-01 4.64 -6.868440902e-01 -6.868440902e-01 4.66 -6.652211597e-01 -6.652211597e-01 4.68 -6.439996558e-01 -6.439996558e-01 4.70 -6.231221029e-01 -6.231221029e-01 4.72 -6.025357589e-01 -6.025357589e-01 4.74 -5.821935319e-01 -5.821935319e-01 4.76 -5.620549565e-01 -5.620549565e-01 4.78 -5.420872340e-01 -5.420872340e-01 4.80 -5.222632587e-01 -5.222632587e-01 4.82 -5.025753827e-01 -5.025753827e-01 4.84 -4.830164335e-01 -4.830164335e-01 4.86 -4.635943607e-01 -4.635943607e-01 4.88 -4.443289248e-01 -4.443289248e-01 4.90 -4.252515668e-01 -4.252515668e-01 4.92 -4.064046805e-01 -4.064046805e-01 4.94 -3.878402194e-01 -3.878402194e-01 4.96 -3.696176403e-01 -3.696176403e-01 4.98 -3.518012608e-01 -3.518012608e-01 5.00 -3.344571908e-01 -3.344571908e-01 5.02 -3.176500632e-01 -3.176500632e-01 5.04 -3.014398276e-01 -3.014398276e-01 5.06 -2.858788732e-01 -2.858788732e-01 5.08 -2.710097098e-01 -2.710097098e-01 5.10 -2.568633682e-01 -2.568633682e-01 5.12 -2.434585944e-01 -2.434585944e-01 5.14 -2.308018267e-01 -2.308018267e-01 5.16 -2.188878657e-01 -2.188878657e-01 5.18 -2.077010966e-01 -2.077010966e-01 5.20 -1.972170944e-01 -1.972170944e-01 5.22 -1.874044409e-01 -1.874044409e-01 5.24 -1.782265995e-01 -1.782265995e-01 5.26 -1.696437222e-01 -1.696437222e-01 5.28 -1.616142992e-01 -1.616142992e-01 5.30 -1.540965892e-01 -1.540965892e-01 5.32 -1.470498074e-01 -1.470498074e-01 5.34 -1.404350582e-01 -1.404350582e-01 5.36 -1.342160201e-01 -1.342160201e-01 5.38 -1.283592090e-01 -1.283592090e-01 5.40 -1.228346588e-01 -1.228346588e-01 5.42 -1.176158645e-01 -1.176158645e-01 5.44 -1.126795041e-01 -1.126795041e-01 5.46 -1.080052474e-01 -1.080052474e-01 5.48 -1.035754539e-01 -1.035754539e-01 5.50 -9.937479322e-02 -9.937479322e-02 5.52 -9.538982534e-02 -9.538982534e-02 5.54 -9.160857415e-02 -9.160857415e-02 5.56 -8.802012700e-02 -8.802012700e-02 5.58 -8.461428472e-02 -8.461428472e-02 5.60 -8.138127965e-02 -8.138127965e-02 5.62 -7.831155678e-02 -7.831155678e-02 5.64 -7.539554640e-02 -7.539554640e-02 5.66 -7.262389592e-02 -7.262389592e-02 5.68 -6.998730053e-02 -6.998730053e-02 5.70 -6.747648763e-02 -6.747648763e-02 5.72 -6.508228495e-02 -6.508228495e-02 5.74 -6.279569641e-02 -6.279569641e-02 5.76 -6.060797514e-02 -6.060797514e-02 5.78 -5.851068623e-02 -5.851068623e-02 5.80 -5.649575552e-02 -5.649575552e-02 5.82 -5.455550314e-02 -5.455550314e-02 5.84 -5.268266258e-02 -5.268266258e-02 5.86 -5.087038773e-02 -5.087038773e-02 5.88 -4.911225075e-02 -4.911225075e-02 5.90 -4.740223413e-02 -4.740223413e-02 5.92 -4.573472021e-02 -4.573472021e-02 5.94 -4.410448122e-02 -4.410448122e-02 5.96 -4.250667230e-02 -4.250667230e-02 5.98 -4.093682995e-02 -4.093682995e-02 6.00 -3.939087879e-02 -3.939087879e-02