# 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 = AgAu2Ni # 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 2.730115284e+02 2.730115284e+02 1.30 2.526420561e+02 2.526420561e+02 1.32 2.337944367e+02 2.337944367e+02 1.34 2.163480880e+02 2.163480880e+02 1.36 2.001927195e+02 2.001927195e+02 1.38 1.852264165e+02 1.852264165e+02 1.40 1.713549672e+02 1.713549672e+02 1.42 1.584917631e+02 1.584917631e+02 1.44 1.465577313e+02 1.465577313e+02 1.46 1.354810692e+02 1.354810692e+02 1.48 1.251967339e+02 1.251967339e+02 1.50 1.156457319e+02 1.156457319e+02 1.52 1.067741794e+02 1.067741794e+02 1.54 9.853218958e+01 9.853218958e+01 1.56 9.087294279e+01 9.087294279e+01 1.58 8.375227838e+01 8.375227838e+01 1.60 7.712878318e+01 7.712878318e+01 1.62 7.096408590e+01 7.096408590e+01 1.64 6.522304683e+01 6.522304683e+01 1.66 5.987369153e+01 5.987369153e+01 1.68 5.488713085e+01 5.488713085e+01 1.70 5.025510752e+01 5.025510752e+01 1.72 4.596344764e+01 4.596344764e+01 1.74 4.198851105e+01 4.198851105e+01 1.76 3.830799203e+01 3.830799203e+01 1.78 3.490109847e+01 3.490109847e+01 1.80 3.174867120e+01 3.174867120e+01 1.82 2.883283325e+01 2.883283325e+01 1.84 2.613676468e+01 2.613676468e+01 1.86 2.364464949e+01 2.364464949e+01 1.88 2.134171766e+01 2.134171766e+01 1.90 1.921427074e+01 1.921427074e+01 1.92 1.724963333e+01 1.724963333e+01 1.94 1.543604128e+01 1.543604128e+01 1.96 1.376251520e+01 1.376251520e+01 1.98 1.221876925e+01 1.221876925e+01 2.00 1.079517673e+01 1.079517673e+01 2.02 9.482775721e+00 9.482775721e+00 2.04 8.273278418e+00 8.273278418e+00 2.06 7.159057334e+00 7.159057334e+00 2.08 6.133104679e+00 6.133104679e+00 2.10 5.188976972e+00 5.188976972e+00 2.12 4.320737814e+00 4.320737814e+00 2.14 3.522905212e+00 3.522905212e+00 2.16 2.790404523e+00 2.790404523e+00 2.18 2.118527116e+00 2.118527116e+00 2.20 1.502896181e+00 1.502896181e+00 2.22 9.394415042e-01 9.394415042e-01 2.24 4.243833727e-01 4.243833727e-01 2.26 -4.577722910e-02 -4.577722910e-02 2.28 -4.742676038e-01 -4.742676038e-01 2.30 -8.640575659e-01 -8.640575659e-01 2.32 -1.217882412e+00 -1.217882412e+00 2.34 -1.538273000e+00 -1.538273000e+00 2.36 -1.827586722e+00 -1.827586722e+00 2.38 -2.088032276e+00 -2.088032276e+00 2.40 -2.321684840e+00 -2.321684840e+00 2.42 -2.530493522e+00 -2.530493522e+00 2.44 -2.716286116e+00 -2.716286116e+00 2.46 -2.880775579e+00 -2.880775579e+00 2.48 -3.025569797e+00 -3.025569797e+00 2.50 -3.152183593e+00 -3.152183593e+00 2.52 -3.262050998e+00 -3.262050998e+00 2.54 -3.356536481e+00 -3.356536481e+00 2.56 -3.436942403e+00 -3.436942403e+00 2.58 -3.504513223e+00 -3.504513223e+00 2.60 -3.560437560e+00 -3.560437560e+00 2.62 -3.605912192e+00 -3.605912192e+00 2.64 -3.642076149e+00 -3.642076149e+00 2.66 -3.669707406e+00 -3.669707406e+00 2.68 -3.689519837e+00 -3.689519837e+00 2.70 -3.702098897e+00 -3.702098897e+00 2.72 -3.707870639e+00 -3.707870639e+00 2.74 -3.707241151e+00 -3.707241151e+00 2.76 -3.700610654e+00 -3.700610654e+00 2.78 -3.688366674e+00 -3.688366674e+00 2.80 -3.670872420e+00 -3.670872420e+00 2.82 -3.648476983e+00 -3.648476983e+00 2.84 -3.621514500e+00 -3.621514500e+00 2.86 -3.590368686e+00 -3.590368686e+00 2.88 -3.555360338e+00 -3.555360338e+00 2.90 -3.516674859e+00 -3.516674859e+00 2.92 -3.474511169e+00 -3.474511169e+00 2.94 -3.429084044e+00 -3.429084044e+00 2.96 -3.380626515e+00 -3.380626515e+00 2.98 -3.329392503e+00 -3.329392503e+00 3.00 -3.275658680e+00 -3.275658680e+00 3.02 -3.219726106e+00 -3.219726106e+00 3.04 -3.161922186e+00 -3.161922186e+00 3.06 -3.102586536e+00 -3.102586536e+00 3.08 -3.042058112e+00 -3.042058112e+00 3.10 -2.980662631e+00 -2.980662631e+00 3.12 -2.918700146e+00 -2.918700146e+00 3.14 -2.856435234e+00 -2.856435234e+00 3.16 -2.794091478e+00 -2.794091478e+00 3.18 -2.731850760e+00 -2.731850760e+00 3.20 -2.669856598e+00 -2.669856598e+00 3.22 -2.608220120e+00 -2.608220120e+00 3.24 -2.547027049e+00 -2.547027049e+00 3.26 -2.486344464e+00 -2.486344464e+00 3.28 -2.426226525e+00 -2.426226525e+00 3.30 -2.366718887e+00 -2.366718887e+00 3.32 -2.307861793e+00 -2.307861793e+00 3.34 -2.249692062e+00 -2.249692062e+00 3.36 -2.192244194e+00 -2.192244194e+00 3.38 -2.135550846e+00 -2.135550846e+00 3.40 -2.079642867e+00 -2.079642867e+00 3.42 -2.024549063e+00 -2.024549063e+00 3.44 -1.970295803e+00 -1.970295803e+00 3.46 -1.916906613e+00 -1.916906613e+00 3.48 -1.864401791e+00 -1.864401791e+00 3.50 -1.812798148e+00 -1.812798148e+00 3.52 -1.762108872e+00 -1.762108872e+00 3.54 -1.712343536e+00 -1.712343536e+00 3.56 -1.663508226e+00 -1.663508226e+00 3.58 -1.615605747e+00 -1.615605747e+00 3.60 -1.568635879e+00 -1.568635879e+00 3.62 -1.522595653e+00 -1.522595653e+00 3.64 -1.477479639e+00 -1.477479639e+00 3.66 -1.433280256e+00 -1.433280256e+00 3.68 -1.389988150e+00 -1.389988150e+00 3.70 -1.347592665e+00 -1.347592665e+00 3.72 -1.306082446e+00 -1.306082446e+00 3.74 -1.265446177e+00 -1.265446177e+00 3.76 -1.225673425e+00 -1.225673425e+00 3.78 -1.186755512e+00 -1.186755512e+00 3.80 -1.148686283e+00 -1.148686283e+00 3.82 -1.111462623e+00 -1.111462623e+00 3.84 -1.075084566e+00 -1.075084566e+00 3.86 -1.039554889e+00 -1.039554889e+00 3.88 -1.004878139e+00 -1.004878139e+00 3.90 -9.710592004e-01 -9.710592004e-01 3.92 -9.381015527e-01 -9.381015527e-01 3.94 -9.060055135e-01 -9.060055135e-01 3.96 -8.747667162e-01 -8.747667162e-01 3.98 -8.443750764e-01 -8.443750764e-01 4.00 -8.148143636e-01 -8.148143636e-01 4.02 -7.860624011e-01 -7.860624011e-01 4.04 -7.580918111e-01 -7.580918111e-01 4.06 -7.308711634e-01 -7.308711634e-01 4.08 -7.043663700e-01 -7.043663700e-01 4.10 -6.785421818e-01 -6.785421818e-01 4.12 -6.533636990e-01 -6.533636990e-01 4.14 -6.287977813e-01 -6.287977813e-01 4.16 -6.048143688e-01 -6.048143688e-01 4.18 -5.813876346e-01 -5.813876346e-01 4.20 -5.584969484e-01 -5.584969484e-01 4.22 -5.361276021e-01 -5.361276021e-01 4.24 -5.142712427e-01 -5.142712427e-01 4.26 -4.929259603e-01 -4.929259603e-01 4.28 -4.720959933e-01 -4.720959933e-01 4.30 -4.517910422e-01 -4.517910422e-01 4.32 -4.320252304e-01 -4.320252304e-01 4.34 -4.128157899e-01 -4.128157899e-01 4.36 -3.941815894e-01 -3.941815894e-01 4.38 -3.761416354e-01 -3.761416354e-01 4.40 -3.587136667e-01 -3.587136667e-01 4.42 -3.419129276e-01 -3.419129276e-01 4.44 -3.257511605e-01 -3.257511605e-01 4.46 -3.102358157e-01 -3.102358157e-01 4.48 -2.953694530e-01 -2.953694530e-01 4.50 -2.811493057e-01 -2.811493057e-01 4.52 -2.675669944e-01 -2.675669944e-01 4.54 -2.546084031e-01 -2.546084031e-01 4.56 -2.422537461e-01 -2.422537461e-01 4.58 -2.304778588e-01 -2.304778588e-01 4.60 -2.192507287e-01 -2.192507287e-01 4.62 -2.085382599e-01 -2.085382599e-01 4.64 -1.983032350e-01 -1.983032350e-01 4.66 -1.885064139e-01 -1.885064139e-01 4.68 -1.791077039e-01 -1.791077039e-01 4.70 -1.700673323e-01 -1.700673323e-01 4.72 -1.613469670e-01 -1.613469670e-01 4.74 -1.529107474e-01 -1.529107474e-01 4.76 -1.447262004e-01 -1.447262004e-01 4.78 -1.367650300e-01 -1.367650300e-01 4.80 -1.290037713e-01 -1.290037713e-01 4.82 -1.214243114e-01 -1.214243114e-01 4.84 -1.140142405e-01 -1.140142405e-01 4.86 -1.067670469e-01 -1.067670469e-01 4.88 -9.968210692e-02 -9.968210692e-02 4.90 -9.276445439e-02 -9.276445439e-02 4.92 -8.602430737e-02 -8.602430737e-02 4.94 -7.947634324e-02 -7.947634324e-02 4.96 -7.313873278e-02 -7.313873278e-02 4.98 -6.703196941e-02 -6.703196941e-02 5.00 -6.117755569e-02 -6.117755569e-02 5.02 -5.559662964e-02 -5.559662964e-02 5.04 -5.030862931e-02 -5.030862931e-02 5.06 -4.533009554e-02 -4.533009554e-02 5.08 -4.067366177e-02 -4.067366177e-02 5.10 -3.634717915e-02 -3.634717915e-02 5.12 -3.235398015e-02 -3.235398015e-02 5.14 -2.869250275e-02 -2.869250275e-02 5.16 -2.535646240e-02 -2.535646240e-02 5.18 -2.233535894e-02 -2.233535894e-02 5.20 -1.961511851e-02 -1.961511851e-02 5.22 -1.717851358e-02 -1.717851358e-02 5.24 -1.500690430e-02 -1.500690430e-02 5.26 -1.308049590e-02 -1.308049590e-02 5.28 -1.137882455e-02 -1.137882455e-02 5.30 -9.881385359e-03 -9.881385359e-03 5.32 -8.568136974e-03 -8.568136974e-03 5.34 -7.419884737e-03 -7.419884737e-03 5.36 -6.418551984e-03 -6.418551984e-03 5.38 -5.547353996e-03 -5.547353996e-03 5.40 -4.790891084e-03 -4.790891084e-03 5.42 -4.135177452e-03 -4.135177452e-03 5.44 -3.567621368e-03 -3.567621368e-03 5.46 -3.076970257e-03 -3.076970257e-03 5.48 -2.653232187e-03 -2.653232187e-03 5.50 -2.287582969e-03 -2.287582969e-03 5.52 -1.972266047e-03 -1.972266047e-03 5.54 -1.700490533e-03 -1.700490533e-03 5.56 -1.466331238e-03 -1.466331238e-03 5.58 -1.264633287e-03 -1.264633287e-03 5.60 -1.090922990e-03 -1.090922990e-03 5.62 -9.413258711e-04 -9.413258711e-04 5.64 -8.124922305e-04 -8.124922305e-04 5.66 -7.015302499e-04 -7.015302499e-04 5.68 -6.059463695e-04 -6.059463695e-04 5.70 -5.235925170e-04 -5.235925170e-04 5.72 -4.526196674e-04 -4.526196674e-04 5.74 -3.914371682e-04 -3.914371682e-04 5.76 -3.386772556e-04 -3.386772556e-04 5.78 -2.931642041e-04 -2.931642041e-04 5.80 -2.538875762e-04 -2.538875762e-04 5.82 -2.199790833e-04 -2.199790833e-04 5.84 -1.906926078e-04 -1.906926078e-04 5.86 -1.653869821e-04 -1.653869821e-04 5.88 -1.435111629e-04 -1.435111629e-04 5.90 -1.245914827e-04 -1.245914827e-04 5.92 -1.082206948e-04 -1.082206948e-04 5.94 -9.404856744e-05 -9.404856744e-05 5.96 -8.177381087e-05 -8.177381087e-05 5.98 -7.113715206e-05 -7.113715206e-05 6.00 -6.191539475e-05 -6.191539475e-05