# 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 = AuPb2W # 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 5.086300641e+02 5.086300641e+02 1.30 4.747530136e+02 4.747530136e+02 1.32 4.432186757e+02 4.432186757e+02 1.34 4.138546714e+02 4.138546714e+02 1.36 3.865099869e+02 3.865099869e+02 1.38 3.610482841e+02 3.610482841e+02 1.40 3.373415374e+02 3.373415374e+02 1.42 3.152658403e+02 3.152658403e+02 1.44 2.947003262e+02 2.947003262e+02 1.46 2.755285914e+02 2.755285914e+02 1.48 2.576409624e+02 2.576409624e+02 1.50 2.409361606e+02 2.409361606e+02 1.52 2.253218624e+02 2.253218624e+02 1.54 2.107144916e+02 2.107144916e+02 1.56 1.970385671e+02 1.970385671e+02 1.58 1.842258434e+02 1.842258434e+02 1.60 1.722143774e+02 1.722143774e+02 1.62 1.609477046e+02 1.609477046e+02 1.64 1.503741689e+02 1.503741689e+02 1.66 1.404464687e+02 1.404464687e+02 1.68 1.311213645e+02 1.311213645e+02 1.70 1.223594731e+02 1.223594731e+02 1.72 1.141251521e+02 1.141251521e+02 1.74 1.063864033e+02 1.063864033e+02 1.76 9.911469911e+01 9.911469911e+01 1.78 9.228460803e+01 9.228460803e+01 1.80 8.587353247e+01 8.587353247e+01 1.82 7.986156096e+01 7.986156096e+01 1.84 7.423720779e+01 7.423720779e+01 1.86 6.898250793e+01 6.898250793e+01 1.88 6.408613557e+01 6.408613557e+01 1.90 5.952521859e+01 5.952521859e+01 1.92 5.527606571e+01 5.527606571e+01 1.94 5.131601180e+01 5.131601180e+01 1.96 4.762376144e+01 4.762376144e+01 1.98 4.417959679e+01 4.417959679e+01 2.00 4.096541480e+01 4.096541480e+01 2.02 3.796462431e+01 3.796462431e+01 2.04 3.516196419e+01 3.516196419e+01 2.06 3.254331789e+01 3.254331789e+01 2.08 3.009557581e+01 3.009557581e+01 2.10 2.780654973e+01 2.780654973e+01 2.12 2.566494238e+01 2.566494238e+01 2.14 2.366033795e+01 2.366033795e+01 2.16 2.178319499e+01 2.178319499e+01 2.18 2.002482500e+01 2.002482500e+01 2.20 1.837734086e+01 1.837734086e+01 2.22 1.683358944e+01 1.683358944e+01 2.24 1.538706858e+01 1.538706858e+01 2.26 1.403184158e+01 1.403184158e+01 2.28 1.276245940e+01 1.276245940e+01 2.30 1.157388404e+01 1.157388404e+01 2.32 1.046142692e+01 1.046142692e+01 2.34 9.420698719e+00 9.420698719e+00 2.36 8.447562378e+00 8.447562378e+00 2.38 7.538097861e+00 7.538097861e+00 2.40 6.688601745e+00 6.688601745e+00 2.42 5.895575163e+00 5.895575163e+00 2.44 5.155550866e+00 5.155550866e+00 2.46 4.465235600e+00 4.465235600e+00 2.48 3.821527616e+00 3.821527616e+00 2.50 3.221523770e+00 3.221523770e+00 2.52 2.662523602e+00 2.662523602e+00 2.54 2.142027368e+00 2.142027368e+00 2.56 1.657730246e+00 1.657730246e+00 2.58 1.207621318e+00 1.207621318e+00 2.60 7.899603030e-01 7.899603030e-01 2.62 4.030907370e-01 4.030907370e-01 2.64 4.541620703e-02 4.541620703e-02 2.66 -2.846022513e-01 -2.846022513e-01 2.68 -5.884542967e-01 -5.884542967e-01 2.70 -8.675805951e-01 -8.675805951e-01 2.72 -1.123371483e+00 -1.123371483e+00 2.74 -1.357164060e+00 -1.357164060e+00 2.76 -1.570238740e+00 -1.570238740e+00 2.78 -1.763816026e+00 -1.763816026e+00 2.80 -1.939054572e+00 -1.939054572e+00 2.82 -2.097049907e+00 -2.097049907e+00 2.84 -2.238858854e+00 -2.238858854e+00 2.86 -2.365535080e+00 -2.365535080e+00 2.88 -2.477892771e+00 -2.477892771e+00 2.90 -2.576692178e+00 -2.576692178e+00 2.92 -2.662674325e+00 -2.662674325e+00 2.94 -2.736569212e+00 -2.736569212e+00 2.96 -2.799103872e+00 -2.799103872e+00 2.98 -2.851002857e+00 -2.851002857e+00 3.00 -2.892983024e+00 -2.892983024e+00 3.02 -2.925769800e+00 -2.925769800e+00 3.04 -2.950095246e+00 -2.950095246e+00 3.06 -2.966690548e+00 -2.966690548e+00 3.08 -2.976271392e+00 -2.976271392e+00 3.10 -2.979526528e+00 -2.979526528e+00 3.12 -2.977103570e+00 -2.977103570e+00 3.14 -2.969605313e+00 -2.969605313e+00 3.16 -2.957573403e+00 -2.957573403e+00 3.18 -2.941491599e+00 -2.941491599e+00 3.20 -2.921782586e+00 -2.921782586e+00 3.22 -2.898808282e+00 -2.898808282e+00 3.24 -2.872871587e+00 -2.872871587e+00 3.26 -2.844219825e+00 -2.844219825e+00 3.28 -2.813050289e+00 -2.813050289e+00 3.30 -2.779518103e+00 -2.779518103e+00 3.32 -2.743746132e+00 -2.743746132e+00 3.34 -2.705915058e+00 -2.705915058e+00 3.36 -2.666105565e+00 -2.666105565e+00 3.38 -2.624253293e+00 -2.624253293e+00 3.40 -2.580337874e+00 -2.580337874e+00 3.42 -2.534391841e+00 -2.534391841e+00 3.44 -2.486503221e+00 -2.486503221e+00 3.46 -2.436791296e+00 -2.436791296e+00 3.48 -2.385375735e+00 -2.385375735e+00 3.50 -2.332435617e+00 -2.332435617e+00 3.52 -2.278207532e+00 -2.278207532e+00 3.54 -2.222970568e+00 -2.222970568e+00 3.56 -2.167029554e+00 -2.167029554e+00 3.58 -2.110698277e+00 -2.110698277e+00 3.60 -2.054284216e+00 -2.054284216e+00 3.62 -1.998076041e+00 -1.998076041e+00 3.64 -1.942334546e+00 -1.942334546e+00 3.66 -1.887287142e+00 -1.887287142e+00 3.68 -1.833125559e+00 -1.833125559e+00 3.70 -1.780006074e+00 -1.780006074e+00 3.72 -1.728051438e+00 -1.728051438e+00 3.74 -1.677353747e+00 -1.677353747e+00 3.76 -1.627977658e+00 -1.627977658e+00 3.78 -1.579963591e+00 -1.579963591e+00 3.80 -1.533330776e+00 -1.533330776e+00 3.82 -1.488080173e+00 -1.488080173e+00 3.84 -1.444197320e+00 -1.444197320e+00 3.86 -1.401655165e+00 -1.401655165e+00 3.88 -1.360416879e+00 -1.360416879e+00 3.90 -1.320438566e+00 -1.320438566e+00 3.92 -1.281670980e+00 -1.281670980e+00 3.94 -1.244065026e+00 -1.244065026e+00 3.96 -1.207568349e+00 -1.207568349e+00 3.98 -1.172130384e+00 -1.172130384e+00 4.00 -1.137702376e+00 -1.137702376e+00 4.02 -1.104238028e+00 -1.104238028e+00 4.04 -1.071693881e+00 -1.071693881e+00 4.06 -1.040029505e+00 -1.040029505e+00 4.08 -1.009207581e+00 -1.009207581e+00 4.10 -9.791915076e-01 -9.791915076e-01 4.12 -9.499555255e-01 -9.499555255e-01 4.14 -9.214688559e-01 -9.214688559e-01 4.16 -8.937069186e-01 -8.937069186e-01 4.18 -8.666484420e-01 -8.666484420e-01 4.20 -8.402755113e-01 -8.402755113e-01 4.22 -8.145735572e-01 -8.145735572e-01 4.24 -7.895312403e-01 -7.895312403e-01 4.26 -7.651401921e-01 -7.651401921e-01 4.28 -7.413945822e-01 -7.413945822e-01 4.30 -7.182905083e-01 -7.182905083e-01 4.32 -6.958252318e-01 -6.958252318e-01 4.34 -6.739963123e-01 -6.739963123e-01 4.36 -6.528007186e-01 -6.528007186e-01 4.38 -6.322340045e-01 -6.322340045e-01 4.40 -6.122896327e-01 -6.122896327e-01 4.42 -5.929585115e-01 -5.929585115e-01 4.44 -5.742287738e-01 -5.742287738e-01 4.46 -5.560857979e-01 -5.560857979e-01 4.48 -5.385124349e-01 -5.385124349e-01 4.50 -5.214893893e-01 -5.214893893e-01 4.52 -5.049956910e-01 -5.049956910e-01 4.54 -4.890091992e-01 -4.890091992e-01 4.56 -4.735070905e-01 -4.735070905e-01 4.58 -4.584662989e-01 -4.584662989e-01 4.60 -4.438638904e-01 -4.438638904e-01 4.62 -4.296773682e-01 -4.296773682e-01 4.64 -4.158849154e-01 -4.158849154e-01 4.66 -4.024655869e-01 -4.024655869e-01 4.68 -3.893994646e-01 -3.893994646e-01 4.70 -3.766677926e-01 -3.766677926e-01 4.72 -3.642531028e-01 -3.642531028e-01 4.74 -3.521393430e-01 -3.521393430e-01 4.76 -3.403120100e-01 -3.403120100e-01 4.78 -3.287582899e-01 -3.287582899e-01 4.80 -3.174656824e-01 -3.174656824e-01 4.82 -3.064284438e-01 -3.064284438e-01 4.84 -2.956378332e-01 -2.956378332e-01 4.86 -2.850890553e-01 -2.850890553e-01 4.88 -2.747794645e-01 -2.747794645e-01 4.90 -2.647084929e-01 -2.647084929e-01 4.92 -2.548774846e-01 -2.548774846e-01 4.94 -2.452894295e-01 -2.452894295e-01 4.96 -2.359485999e-01 -2.359485999e-01 4.98 -2.268601064e-01 -2.268601064e-01 5.00 -2.180294026e-01 -2.180294026e-01 5.02 -2.094617748e-01 -2.094617748e-01 5.04 -2.011618619e-01 -2.011618619e-01 5.06 -1.931332460e-01 -1.931332460e-01 5.08 -1.853781522e-01 -1.853781522e-01 5.10 -1.778972703e-01 -1.778972703e-01 5.12 -1.706897170e-01 -1.706897170e-01 5.14 -1.637531220e-01 -1.637531220e-01 5.16 -1.570838130e-01 -1.570838130e-01 5.18 -1.506770656e-01 -1.506770656e-01 5.20 -1.445273793e-01 -1.445273793e-01 5.22 -1.386287392e-01 -1.386287392e-01 5.24 -1.329748401e-01 -1.329748401e-01 5.26 -1.275592491e-01 -1.275592491e-01 5.28 -1.223754972e-01 -1.223754972e-01 5.30 -1.174171019e-01 -1.174171019e-01 5.32 -1.126773491e-01 -1.126773491e-01 5.34 -1.081488286e-01 -1.081488286e-01 5.36 -1.038250657e-01 -1.038250657e-01 5.38 -9.969928782e-02 -9.969928782e-02 5.40 -9.576420330e-02 -9.576420330e-02 5.42 -9.201199400e-02 -9.201199400e-02 5.44 -8.843434032e-02 -8.843434032e-02 5.46 -8.502247798e-02 -8.502247798e-02 5.48 -8.176728263e-02 -8.176728263e-02 5.50 -7.865937449e-02 -7.865937449e-02 5.52 -7.568923418e-02 -7.568923418e-02 5.54 -7.284732079e-02 -7.284732079e-02 5.56 -7.012418472e-02 -7.012418472e-02 5.58 -6.751056956e-02 -6.751056956e-02 5.60 -6.499749961e-02 -6.499749961e-02 5.62 -6.257635147e-02 -6.257635147e-02 5.64 -6.023891011e-02 -6.023891011e-02 5.66 -5.797741080e-02 -5.797741080e-02 5.68 -5.578456947e-02 -5.578456947e-02 5.70 -5.365360414e-02 -5.365360414e-02 5.72 -5.157825048e-02 -5.157825048e-02 5.74 -4.955277406e-02 -4.955277406e-02 5.76 -4.757198170e-02 -4.757198170e-02 5.78 -4.563123372e-02 -4.563123372e-02 5.80 -4.372645819e-02 -4.372645819e-02 5.82 -4.185416786e-02 -4.185416786e-02 5.84 -4.001147928e-02 -4.001147928e-02 5.86 -3.819613342e-02 -3.819613342e-02 5.88 -3.640651586e-02 -3.640651586e-02 5.90 -3.464167438e-02 -3.464167438e-02 5.92 -3.290133091e-02 -3.290133091e-02 5.94 -3.118588448e-02 -3.118588448e-02 5.96 -2.949640193e-02 -2.949640193e-02 5.98 -2.783459226e-02 -2.783459226e-02 6.00 -2.620276289e-02 -2.620276289e-02