# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2CuNi # 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 2022-05-24 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 6.143687152e+02 6.143687152e+02 1.00 5.571154942e+02 5.571154942e+02 1.02 5.054108064e+02 5.054108064e+02 1.04 4.587158474e+02 4.587158474e+02 1.06 4.165412911e+02 4.165412911e+02 1.08 3.784522335e+02 3.784522335e+02 1.10 3.440545178e+02 3.440545178e+02 1.12 3.129848730e+02 3.129848730e+02 1.14 2.849189190e+02 2.849189190e+02 1.16 2.595605287e+02 2.595605287e+02 1.18 2.366451842e+02 2.366451842e+02 1.20 2.159306835e+02 2.159306835e+02 1.22 1.971996469e+02 1.971996469e+02 1.24 1.802547312e+02 1.802547312e+02 1.26 1.649153230e+02 1.649153230e+02 1.28 1.510206090e+02 1.510206090e+02 1.30 1.384261186e+02 1.384261186e+02 1.32 1.269996574e+02 1.269996574e+02 1.34 1.166236384e+02 1.166236384e+02 1.36 1.071912661e+02 1.071912661e+02 1.38 9.860695244e+01 9.860695244e+01 1.40 9.078568853e+01 9.078568853e+01 1.42 8.365166608e+01 8.365166608e+01 1.44 7.713427435e+01 7.713427435e+01 1.46 7.117247566e+01 7.117247566e+01 1.48 6.571096818e+01 6.571096818e+01 1.50 6.070038655e+01 6.070038655e+01 1.52 5.609694429e+01 5.609694429e+01 1.54 5.186079750e+01 5.186079750e+01 1.56 4.795723371e+01 4.795723371e+01 1.58 4.435476516e+01 4.435476516e+01 1.60 4.102528218e+01 4.102528218e+01 1.62 3.794410579e+01 3.794410579e+01 1.64 3.508729502e+01 3.508729502e+01 1.66 3.243588174e+01 3.243588174e+01 1.68 2.997215524e+01 2.997215524e+01 1.70 2.767965897e+01 2.767965897e+01 1.72 2.554329412e+01 2.554329412e+01 1.74 2.355126284e+01 2.355126284e+01 1.76 2.169137136e+01 2.169137136e+01 1.78 1.995331806e+01 1.995331806e+01 1.80 1.833135270e+01 1.833135270e+01 1.82 1.681536732e+01 1.681536732e+01 1.84 1.539973010e+01 1.539973010e+01 1.86 1.405781499e+01 1.405781499e+01 1.88 1.279647142e+01 1.279647142e+01 1.90 1.161003735e+01 1.161003735e+01 1.92 1.047961598e+01 1.047961598e+01 1.94 9.403127714e+00 9.403127714e+00 1.96 8.380782589e+00 8.380782589e+00 1.98 7.411613752e+00 7.411613752e+00 2.00 6.494382780e+00 6.494382780e+00 2.02 5.627883988e+00 5.627883988e+00 2.04 4.810920212e+00 4.810920212e+00 2.06 4.042214866e+00 4.042214866e+00 2.08 3.320401356e+00 3.320401356e+00 2.10 2.643907203e+00 2.643907203e+00 2.12 2.011504342e+00 2.011504342e+00 2.14 1.422213330e+00 1.422213330e+00 2.16 8.734929109e-01 8.734929109e-01 2.18 3.638838044e-01 3.638838044e-01 2.20 -1.081521894e-01 -1.081521894e-01 2.22 -5.444558127e-01 -5.444558127e-01 2.24 -9.464550308e-01 -9.464550308e-01 2.26 -1.315428804e+00 -1.315428804e+00 2.28 -1.652673395e+00 -1.652673395e+00 2.30 -1.960413401e+00 -1.960413401e+00 2.32 -2.240178690e+00 -2.240178690e+00 2.34 -2.493469018e+00 -2.493469018e+00 2.36 -2.721751172e+00 -2.721751172e+00 2.38 -2.926067890e+00 -2.926067890e+00 2.40 -3.108075646e+00 -3.108075646e+00 2.42 -3.269439312e+00 -3.269439312e+00 2.44 -3.411261479e+00 -3.411261479e+00 2.46 -3.534784753e+00 -3.534784753e+00 2.48 -3.641242437e+00 -3.641242437e+00 2.50 -3.731617516e+00 -3.731617516e+00 2.52 -3.807431773e+00 -3.807431773e+00 2.54 -3.869644337e+00 -3.869644337e+00 2.56 -3.919131426e+00 -3.919131426e+00 2.58 -3.956830398e+00 -3.956830398e+00 2.60 -3.984275494e+00 -3.984275494e+00 2.62 -4.001914437e+00 -4.001914437e+00 2.64 -4.010304177e+00 -4.010304177e+00 2.66 -4.010122623e+00 -4.010122623e+00 2.68 -4.002242725e+00 -4.002242725e+00 2.70 -3.987338755e+00 -3.987338755e+00 2.72 -3.966046178e+00 -3.966046178e+00 2.74 -3.938960829e+00 -3.938960829e+00 2.76 -3.906640433e+00 -3.906640433e+00 2.78 -3.869660924e+00 -3.869660924e+00 2.80 -3.828219016e+00 -3.828219016e+00 2.82 -3.782883456e+00 -3.782883456e+00 2.84 -3.734115865e+00 -3.734115865e+00 2.86 -3.681713298e+00 -3.681713298e+00 2.88 -3.626773091e+00 -3.626773091e+00 2.90 -3.569646435e+00 -3.569646435e+00 2.92 -3.510903872e+00 -3.510903872e+00 2.94 -3.450518135e+00 -3.450518135e+00 2.96 -3.389029995e+00 -3.389029995e+00 2.98 -3.326376641e+00 -3.326376641e+00 3.00 -3.262778913e+00 -3.262778913e+00 3.02 -3.198393920e+00 -3.198393920e+00 3.04 -3.133072978e+00 -3.133072978e+00 3.06 -3.067636389e+00 -3.067636389e+00 3.08 -3.001987315e+00 -3.001987315e+00 3.10 -2.936272047e+00 -2.936272047e+00 3.12 -2.870620479e+00 -2.870620479e+00 3.14 -2.805150038e+00 -2.805150038e+00 3.16 -2.739967008e+00 -2.739967008e+00 3.18 -2.675167360e+00 -2.675167360e+00 3.20 -2.610837537e+00 -2.610837537e+00 3.22 -2.547055156e+00 -2.547055156e+00 3.24 -2.483889687e+00 -2.483889687e+00 3.26 -2.421403175e+00 -2.421403175e+00 3.28 -2.359650705e+00 -2.359650705e+00 3.30 -2.298680875e+00 -2.298680875e+00 3.32 -2.238536533e+00 -2.238536533e+00 3.34 -2.179255165e+00 -2.179255165e+00 3.36 -2.120868855e+00 -2.120868855e+00 3.38 -2.063405339e+00 -2.063405339e+00 3.40 -2.006913466e+00 -2.006913466e+00 3.42 -1.951744767e+00 -1.951744767e+00 3.44 -1.897525865e+00 -1.897525865e+00 3.46 -1.844250878e+00 -1.844250878e+00 3.48 -1.791919797e+00 -1.791919797e+00 3.50 -1.740446473e+00 -1.740446473e+00 3.52 -1.689792853e+00 -1.689792853e+00 3.54 -1.640080263e+00 -1.640080263e+00 3.56 -1.591397396e+00 -1.591397396e+00 3.58 -1.543751023e+00 -1.543751023e+00 3.60 -1.497139414e+00 -1.497139414e+00 3.62 -1.451552302e+00 -1.451552302e+00 3.64 -1.406949452e+00 -1.406949452e+00 3.66 -1.363297525e+00 -1.363297525e+00 3.68 -1.320571862e+00 -1.320571862e+00 3.70 -1.278779142e+00 -1.278779142e+00 3.72 -1.237936422e+00 -1.237936422e+00 3.74 -1.198054089e+00 -1.198054089e+00 3.76 -1.159120762e+00 -1.159120762e+00 3.78 -1.121110755e+00 -1.121110755e+00 3.80 -1.084022707e+00 -1.084022707e+00 3.82 -1.047853484e+00 -1.047853484e+00 3.84 -1.012607148e+00 -1.012607148e+00 3.86 -9.782188380e-01 -9.782188380e-01 3.88 -9.445725030e-01 -9.445725030e-01 3.90 -9.117355394e-01 -9.117355394e-01 3.92 -8.797786785e-01 -8.797786785e-01 3.94 -8.487561595e-01 -8.487561595e-01 3.96 -8.187055791e-01 -8.187055791e-01 3.98 -7.896129419e-01 -7.896129419e-01 4.00 -7.614795250e-01 -7.614795250e-01 4.02 -7.343656187e-01 -7.343656187e-01 4.04 -7.080942027e-01 -7.080942027e-01 4.06 -6.825261236e-01 -6.825261236e-01 4.08 -6.575619510e-01 -6.575619510e-01 4.10 -6.331333978e-01 -6.331333978e-01 4.12 -6.092193384e-01 -6.092193384e-01 4.14 -5.858664693e-01 -5.858664693e-01 4.16 -5.629821351e-01 -5.629821351e-01 4.18 -5.406256434e-01 -5.406256434e-01 4.20 -5.184211184e-01 -5.184211184e-01 4.22 -4.962932806e-01 -4.962932806e-01 4.24 -4.741598950e-01 -4.741598950e-01 4.26 -4.521002837e-01 -4.521002837e-01 4.28 -4.301774134e-01 -4.301774134e-01 4.30 -4.090287085e-01 -4.090287085e-01 4.32 -3.884559259e-01 -3.884559259e-01 4.34 -3.682762215e-01 -3.682762215e-01 4.36 -3.485331413e-01 -3.485331413e-01 4.38 -3.292144769e-01 -3.292144769e-01 4.40 -3.103929936e-01 -3.103929936e-01 4.42 -2.921415651e-01 -2.921415651e-01 4.44 -2.745128737e-01 -2.745128737e-01 4.46 -2.575429859e-01 -2.575429859e-01 4.48 -2.412543793e-01 -2.412543793e-01 4.50 -2.256584824e-01 -2.256584824e-01 4.52 -2.107578151e-01 -2.107578151e-01 4.54 -1.965477822e-01 -1.965477822e-01 4.56 -1.830181778e-01 -1.830181778e-01 4.58 -1.701544344e-01 -1.701544344e-01 4.60 -1.579386590e-01 -1.579386590e-01 4.62 -1.463504944e-01 -1.463504944e-01 4.64 -1.353678263e-01 -1.353678263e-01 4.66 -1.249673641e-01 -1.249673641e-01 4.68 -1.151251111e-01 -1.151251111e-01 4.70 -1.058167472e-01 -1.058167472e-01 4.72 -9.701793296e-02 -9.701793296e-02 4.74 -8.870455246e-02 -8.870455246e-02 4.76 -8.085290457e-02 -8.085290457e-02 4.78 -7.344334540e-02 -7.344334540e-02 4.80 -6.644703029e-02 -6.644703029e-02 4.82 -6.096834090e-02 -6.096834090e-02 4.84 -5.591481024e-02 -5.591481024e-02 4.86 -5.113847062e-02 -5.113847062e-02 4.88 -4.662516315e-02 -4.662516315e-02 4.90 -4.236122433e-02 -4.236122433e-02 4.92 -3.833318838e-02 -3.833318838e-02 4.94 -3.448396959e-02 -3.448396959e-02 4.96 -3.149211783e-02 -3.149211783e-02 4.98 -2.929799443e-02 -2.929799443e-02 5.00 -2.719028068e-02 -2.719028068e-02 5.02 -2.520563385e-02 -2.520563385e-02 5.04 -2.333745781e-02 -2.333745781e-02 5.06 -2.157917058e-02 -2.157917058e-02 5.08 -1.992453138e-02 -1.992453138e-02 5.10 -1.836762804e-02 -1.836762804e-02 5.12 -1.690286407e-02 -1.690286407e-02 5.14 -1.552494519e-02 -1.552494519e-02 5.16 -1.422886580e-02 -1.422886580e-02 5.18 -1.300989556e-02 -1.300989556e-02 5.20 -1.186356623e-02 -1.186356623e-02 5.22 -1.078565887e-02 -1.078565887e-02 5.24 -9.772191045e-03 -9.772191045e-03 5.26 -8.819404697e-03 -8.819404697e-03 5.28 -7.923754350e-03 -7.923754350e-03 5.30 -7.081895901e-03 -7.081895901e-03 5.32 -6.290675795e-03 -6.290675795e-03 5.34 -5.547120602e-03 -5.547120602e-03 5.36 -4.848427143e-03 -4.848427143e-03 5.38 -4.191953120e-03 -4.191953120e-03 5.40 -3.575208252e-03 -3.575208252e-03 5.42 -2.995845737e-03 -2.995845737e-03 5.44 -2.451654184e-03 -2.451654184e-03 5.46 -1.940549996e-03 -1.940549996e-03 5.48 -1.460570192e-03 -1.460570192e-03 5.50 -1.009865611e-03 -1.009865611e-03 5.52 -5.866944010e-04 -5.866944010e-04 5.54 -1.868662348e-04 -1.868662348e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00