# 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 = Ag2CuW # 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 2.772491663e+02 2.772491663e+02 1.30 2.562001507e+02 2.562001507e+02 1.32 2.367723117e+02 2.367723117e+02 1.34 2.188303741e+02 2.188303741e+02 1.36 2.022489771e+02 2.022489771e+02 1.38 1.869135172e+02 1.869135172e+02 1.40 1.727207044e+02 1.727207044e+02 1.42 1.595781515e+02 1.595781515e+02 1.44 1.474029497e+02 1.474029497e+02 1.46 1.361198558e+02 1.361198558e+02 1.48 1.256599576e+02 1.256599576e+02 1.50 1.159601759e+02 1.159601759e+02 1.52 1.069631869e+02 1.069631869e+02 1.54 9.861713967e+01 9.861713967e+01 1.56 9.087501473e+01 9.087501473e+01 1.58 8.369390609e+01 8.369390609e+01 1.60 7.703445436e+01 7.703445436e+01 1.62 7.086038261e+01 7.086038261e+01 1.64 6.513798572e+01 6.513798572e+01 1.66 5.983558328e+01 5.983558328e+01 1.68 5.492359694e+01 5.492359694e+01 1.70 5.037353736e+01 5.037353736e+01 1.72 4.615804489e+01 4.615804489e+01 1.74 4.225136111e+01 4.225136111e+01 1.76 3.863031198e+01 3.863031198e+01 1.78 3.527554470e+01 3.527554470e+01 1.80 3.216708171e+01 3.216708171e+01 1.82 2.928667019e+01 2.928667019e+01 1.84 2.661787700e+01 2.661787700e+01 1.86 2.414588478e+01 2.414588478e+01 1.88 2.185724075e+01 2.185724075e+01 1.90 1.973959529e+01 1.973959529e+01 1.92 1.778146356e+01 1.778146356e+01 1.94 1.597203949e+01 1.597203949e+01 1.96 1.430108154e+01 1.430108154e+01 1.98 1.275886821e+01 1.275886821e+01 2.00 1.133619820e+01 1.133619820e+01 2.02 1.002440068e+01 1.002440068e+01 2.04 8.815326678e+00 8.815326678e+00 2.06 7.701310359e+00 7.701310359e+00 2.08 6.675111570e+00 6.675111570e+00 2.10 5.729867042e+00 5.729867042e+00 2.12 4.859075393e+00 4.859075393e+00 2.14 4.056622744e+00 4.056622744e+00 2.16 3.316834975e+00 3.316834975e+00 2.18 2.634531572e+00 2.634531572e+00 2.20 2.005057960e+00 2.005057960e+00 2.22 1.424290816e+00 1.424290816e+00 2.24 8.887043559e-01 8.887043559e-01 2.26 3.949803661e-01 3.949803661e-01 2.28 -5.988279981e-02 -5.988279981e-02 2.30 -4.785584018e-01 -4.785584018e-01 2.32 -8.634687822e-01 -8.634687822e-01 2.34 -1.216840664e+00 -1.216840664e+00 2.36 -1.540723612e+00 -1.540723612e+00 2.38 -1.836804661e+00 -1.836804661e+00 2.40 -2.106541369e+00 -2.106541369e+00 2.42 -2.351369492e+00 -2.351369492e+00 2.44 -2.572692871e+00 -2.572692871e+00 2.46 -2.771878062e+00 -2.771878062e+00 2.48 -2.950254204e+00 -2.950254204e+00 2.50 -3.109114368e+00 -3.109114368e+00 2.52 -3.249717103e+00 -3.249717103e+00 2.54 -3.373288342e+00 -3.373288342e+00 2.56 -3.481023808e+00 -3.481023808e+00 2.58 -3.574090887e+00 -3.574090887e+00 2.60 -3.653627413e+00 -3.653627413e+00 2.62 -3.720734667e+00 -3.720734667e+00 2.64 -3.776463798e+00 -3.776463798e+00 2.66 -3.821798215e+00 -3.821798215e+00 2.68 -3.857637011e+00 -3.857637011e+00 2.70 -3.884992287e+00 -3.884992287e+00 2.72 -3.904555139e+00 -3.904555139e+00 2.74 -3.916590922e+00 -3.916590922e+00 2.76 -3.921346069e+00 -3.921346069e+00 2.78 -3.919051181e+00 -3.919051181e+00 2.80 -3.909925548e+00 -3.909925548e+00 2.82 -3.894184619e+00 -3.894184619e+00 2.84 -3.872080433e+00 -3.872080433e+00 2.86 -3.843914177e+00 -3.843914177e+00 2.88 -3.810006324e+00 -3.810006324e+00 2.90 -3.770706445e+00 -3.770706445e+00 2.92 -3.726403054e+00 -3.726403054e+00 2.94 -3.677619878e+00 -3.677619878e+00 2.96 -3.624944240e+00 -3.624944240e+00 2.98 -3.568692090e+00 -3.568692090e+00 3.00 -3.509230913e+00 -3.509230913e+00 3.02 -3.446973069e+00 -3.446973069e+00 3.04 -3.382351903e+00 -3.382351903e+00 3.06 -3.315797095e+00 -3.315797095e+00 3.08 -3.247711215e+00 -3.247711215e+00 3.10 -3.178454004e+00 -3.178454004e+00 3.12 -3.108340189e+00 -3.108340189e+00 3.14 -3.037614537e+00 -3.037614537e+00 3.16 -2.966445467e+00 -2.966445467e+00 3.18 -2.894930433e+00 -2.894930433e+00 3.20 -2.823106466e+00 -2.823106466e+00 3.22 -2.750964191e+00 -2.750964191e+00 3.24 -2.678463632e+00 -2.678463632e+00 3.26 -2.605550384e+00 -2.605550384e+00 3.28 -2.532171117e+00 -2.532171117e+00 3.30 -2.458287750e+00 -2.458287750e+00 3.32 -2.383889796e+00 -2.383889796e+00 3.34 -2.309004508e+00 -2.309004508e+00 3.36 -2.233704408e+00 -2.233704408e+00 3.38 -2.158111773e+00 -2.158111773e+00 3.40 -2.082399668e+00 -2.082399668e+00 3.42 -2.006789234e+00 -2.006789234e+00 3.44 -1.931543182e+00 -1.931543182e+00 3.46 -1.856955774e+00 -1.856955774e+00 3.48 -1.783339954e+00 -1.783339954e+00 3.50 -1.711012688e+00 -1.711012688e+00 3.52 -1.640279785e+00 -1.640279785e+00 3.54 -1.571421624e+00 -1.571421624e+00 3.56 -1.504681056e+00 -1.504681056e+00 3.58 -1.440254471e+00 -1.440254471e+00 3.60 -1.378286609e+00 -1.378286609e+00 3.62 -1.318869214e+00 -1.318869214e+00 3.64 -1.262043209e+00 -1.262043209e+00 3.66 -1.207803755e+00 -1.207803755e+00 3.68 -1.156107383e+00 -1.156107383e+00 3.70 -1.106880309e+00 -1.106880309e+00 3.72 -1.060027120e+00 -1.060027120e+00 3.74 -1.015439082e+00 -1.015439082e+00 3.76 -9.730015181e-01 -9.730015181e-01 3.78 -9.325998065e-01 -9.325998065e-01 3.80 -8.941237356e-01 -8.941237356e-01 3.82 -8.574701215e-01 -8.574701215e-01 3.84 -8.225437558e-01 -8.225437558e-01 3.86 -7.892569373e-01 -7.892569373e-01 3.88 -7.575279791e-01 -7.575279791e-01 3.90 -7.272791772e-01 -7.272791772e-01 3.92 -6.984347265e-01 -6.984347265e-01 3.94 -6.709189959e-01 -6.709189959e-01 3.96 -6.446554152e-01 -6.446554152e-01 3.98 -6.195660778e-01 -6.195660778e-01 4.00 -5.955719911e-01 -5.955719911e-01 4.02 -5.725938174e-01 -5.725938174e-01 4.04 -5.505529084e-01 -5.505529084e-01 4.06 -5.293724485e-01 -5.293724485e-01 4.08 -5.089785687e-01 -5.089785687e-01 4.10 -4.893013491e-01 -4.893013491e-01 4.12 -4.702756959e-01 -4.702756959e-01 4.14 -4.518420610e-01 -4.518420610e-01 4.16 -4.339470812e-01 -4.339470812e-01 4.18 -4.165441206e-01 -4.165441206e-01 4.20 -3.995937451e-01 -3.995937451e-01 4.22 -3.830641200e-01 -3.830641200e-01 4.24 -3.669313017e-01 -3.669313017e-01 4.26 -3.511793764e-01 -3.511793764e-01 4.28 -3.358003906e-01 -3.358003906e-01 4.30 -3.207940168e-01 -3.207940168e-01 4.32 -3.061669124e-01 -3.061669124e-01 4.34 -2.919317554e-01 -2.919317554e-01 4.36 -2.781059688e-01 -2.781059688e-01 4.38 -2.647101849e-01 -2.647101849e-01 4.40 -2.517665245e-01 -2.517665245e-01 4.42 -2.392967954e-01 -2.392967954e-01 4.44 -2.273207215e-01 -2.273207215e-01 4.46 -2.158543233e-01 -2.158543233e-01 4.48 -2.049085553e-01 -2.049085553e-01 4.50 -1.944882943e-01 -1.944882943e-01 4.52 -1.845917402e-01 -1.845917402e-01 4.54 -1.752102537e-01 -1.752102537e-01 4.56 -1.663286190e-01 -1.663286190e-01 4.58 -1.579256752e-01 -1.579256752e-01 4.60 -1.499752327e-01 -1.499752327e-01 4.62 -1.424471852e-01 -1.424471852e-01 4.64 -1.353087036e-01 -1.353087036e-01 4.66 -1.285250779e-01 -1.285250779e-01 4.68 -1.220613649e-01 -1.220613649e-01 4.70 -1.158838518e-01 -1.158838518e-01 4.72 -1.099600538e-01 -1.099600538e-01 4.74 -1.042595307e-01 -1.042595307e-01 4.76 -9.875454796e-02 -9.875454796e-02 4.78 -9.342059621e-02 -9.342059621e-02 4.80 -8.823679148e-02 -8.823679148e-02 4.82 -8.318618026e-02 -8.318618026e-02 4.84 -7.825593914e-02 -7.825593914e-02 4.86 -7.343749189e-02 -7.343749189e-02 4.88 -6.872651429e-02 -6.872651429e-02 4.90 -6.412281838e-02 -6.412281838e-02 4.92 -5.963009731e-02 -5.963009731e-02 4.94 -5.525551726e-02 -5.525551726e-02 4.96 -5.100915267e-02 -5.100915267e-02 4.98 -4.690327510e-02 -4.690327510e-02 5.00 -4.295152329e-02 -4.295152329e-02 5.02 -3.916799907e-02 -3.916799907e-02 5.04 -3.556634715e-02 -3.556634715e-02 5.06 -3.215888436e-02 -3.215888436e-02 5.08 -2.895584210e-02 -2.895584210e-02 5.10 -2.596477524e-02 -2.596477524e-02 5.12 -2.319017317e-02 -2.319017317e-02 5.14 -2.063328980e-02 -2.063328980e-02 5.16 -1.829218171e-02 -1.829218171e-02 5.18 -1.616192839e-02 -1.616192839e-02 5.20 -1.423485939e-02 -1.423485939e-02 5.22 -1.250107122e-02 -1.250107122e-02 5.24 -1.094943508e-02 -1.094943508e-02 5.26 -9.567595943e-03 -9.567595943e-03 5.28 -8.342456165e-03 -8.342456165e-03 5.30 -7.260625729e-03 -7.260625729e-03 5.32 -6.308799136e-03 -6.308799136e-03 5.34 -5.474054541e-03 -5.474054541e-03 5.36 -4.744077449e-03 -4.744077449e-03 5.38 -4.107315838e-03 -4.107315838e-03 5.40 -3.553076179e-03 -3.553076179e-03 5.42 -3.071570835e-03 -3.071570835e-03 5.44 -2.653927211e-03 -2.653927211e-03 5.46 -2.292168217e-03 -2.292168217e-03 5.48 -1.979172327e-03 -1.979172327e-03 5.50 -1.708620174e-03 -1.708620174e-03 5.52 -1.474933192e-03 -1.474933192e-03 5.54 -1.273208593e-03 -1.273208593e-03 5.56 -1.099153817e-03 -1.099153817e-03 5.58 -9.490227174e-04 -9.490227174e-04 5.60 -8.195549841e-04 -8.195549841e-04 5.62 -7.079197260e-04 -7.079197260e-04 5.64 -6.116637231e-04 -6.116637231e-04 5.66 -5.286645195e-04 -5.286645195e-04 5.68 -4.570883200e-04 -4.570883200e-04 5.70 -3.953524952e-04 -3.953524952e-04 5.72 -3.420924112e-04 -3.420924112e-04 5.74 -2.961322437e-04 -2.961322437e-04 5.76 -2.564594144e-04 -2.564594144e-04 5.78 -2.222022846e-04 -2.222022846e-04 5.80 -1.926107543e-04 -1.926107543e-04 5.82 -1.670394303e-04 -1.670394303e-04 5.84 -1.449330579e-04 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