# 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 = AlPb2Pd # 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 3.088885199e+02 3.088885199e+02 1.30 2.886574845e+02 2.886574845e+02 1.32 2.698116181e+02 2.698116181e+02 1.34 2.522437520e+02 2.522437520e+02 1.36 2.358544618e+02 2.358544618e+02 1.38 2.205515376e+02 2.205515376e+02 1.40 2.062510293e+02 2.062510293e+02 1.42 1.928781946e+02 1.928781946e+02 1.44 1.803672528e+02 1.803672528e+02 1.46 1.686599977e+02 1.686599977e+02 1.48 1.577036575e+02 1.577036575e+02 1.50 1.474486004e+02 1.474486004e+02 1.52 1.378468165e+02 1.378468165e+02 1.54 1.288518033e+02 1.288518033e+02 1.56 1.204193981e+02 1.204193981e+02 1.58 1.125086999e+02 1.125086999e+02 1.60 1.050825209e+02 1.050825209e+02 1.62 9.810735668e+01 9.810735668e+01 1.64 9.155306787e+01 9.155306787e+01 1.66 8.539250056e+01 8.539250056e+01 1.68 7.960106557e+01 7.960106557e+01 1.70 7.417185434e+01 7.417185434e+01 1.72 6.909755429e+01 6.909755429e+01 1.74 6.435573021e+01 6.435573021e+01 1.76 5.992347591e+01 5.992347591e+01 1.78 5.577894282e+01 5.577894282e+01 1.80 5.190173341e+01 5.190173341e+01 1.82 4.827298642e+01 4.827298642e+01 1.84 4.487540728e+01 4.487540728e+01 1.86 4.169324248e+01 4.169324248e+01 1.88 3.871223563e+01 3.871223563e+01 1.90 3.591951930e+01 3.591951930e+01 1.92 3.330343465e+01 3.330343465e+01 1.94 3.085331640e+01 3.085331640e+01 1.96 2.855927861e+01 2.855927861e+01 1.98 2.641204191e+01 2.641204191e+01 2.00 2.440280674e+01 2.440280674e+01 2.02 2.252316884e+01 2.252316884e+01 2.04 2.076506970e+01 2.076506970e+01 2.06 1.912078764e+01 1.912078764e+01 2.08 1.758296660e+01 1.758296660e+01 2.10 1.614465620e+01 1.614465620e+01 2.12 1.479935090e+01 1.479935090e+01 2.14 1.354100406e+01 1.354100406e+01 2.16 1.236401928e+01 1.236401928e+01 2.18 1.126322598e+01 1.126322598e+01 2.20 1.023384333e+01 1.023384333e+01 2.22 9.271447506e+00 9.271447506e+00 2.24 8.371939465e+00 8.371939465e+00 2.26 7.531515047e+00 7.531515047e+00 2.28 6.746638235e+00 6.746638235e+00 2.30 6.014010725e+00 6.014010725e+00 2.32 5.330543929e+00 5.330543929e+00 2.34 4.693336712e+00 4.693336712e+00 2.36 4.099648592e+00 4.099648592e+00 2.38 3.546880459e+00 3.546880459e+00 2.40 3.032559307e+00 3.032559307e+00 2.42 2.554329275e+00 2.554329275e+00 2.44 2.109947433e+00 2.109947433e+00 2.46 1.697284349e+00 1.697284349e+00 2.48 1.314325685e+00 1.314325685e+00 2.50 9.591739297e-01 9.591739297e-01 2.52 6.300494872e-01 6.300494872e-01 2.54 3.252905723e-01 3.252905723e-01 2.56 4.335059132e-02 4.335059132e-02 2.58 -2.172084528e-01 -2.172084528e-01 2.60 -4.577266316e-01 -4.577266316e-01 2.62 -6.794579036e-01 -6.794579036e-01 2.64 -8.835845459e-01 -8.835845459e-01 2.66 -1.071218668e+00 -1.071218668e+00 2.68 -1.243408423e+00 -1.243408423e+00 2.70 -1.401136534e+00 -1.401136534e+00 2.72 -1.545319656e+00 -1.545319656e+00 2.74 -1.676880817e+00 -1.676880817e+00 2.76 -1.796831551e+00 -1.796831551e+00 2.78 -1.906231844e+00 -1.906231844e+00 2.80 -2.005875468e+00 -2.005875468e+00 2.82 -2.096090850e+00 -2.096090850e+00 2.84 -2.177221902e+00 -2.177221902e+00 2.86 -2.249625904e+00 -2.249625904e+00 2.88 -2.313672203e+00 -2.313672203e+00 2.90 -2.369740708e+00 -2.369740708e+00 2.92 -2.418220567e+00 -2.418220567e+00 2.94 -2.459525190e+00 -2.459525190e+00 2.96 -2.494094117e+00 -2.494094117e+00 2.98 -2.522369487e+00 -2.522369487e+00 3.00 -2.544783696e+00 -2.544783696e+00 3.02 -2.561760169e+00 -2.561760169e+00 3.04 -2.573714793e+00 -2.573714793e+00 3.06 -2.581059492e+00 -2.581059492e+00 3.08 -2.584197434e+00 -2.584197434e+00 3.10 -2.583522387e+00 -2.583522387e+00 3.12 -2.579411747e+00 -2.579411747e+00 3.14 -2.572225881e+00 -2.572225881e+00 3.16 -2.562295795e+00 -2.562295795e+00 3.18 -2.549925380e+00 -2.549925380e+00 3.20 -2.535388171e+00 -2.535388171e+00 3.22 -2.518926653e+00 -2.518926653e+00 3.24 -2.500760575e+00 -2.500760575e+00 3.26 -2.481122657e+00 -2.481122657e+00 3.28 -2.460134543e+00 -2.460134543e+00 3.30 -2.437884348e+00 -2.437884348e+00 3.32 -2.414448769e+00 -2.414448769e+00 3.34 -2.389896284e+00 -2.389896284e+00 3.36 -2.364290490e+00 -2.364290490e+00 3.38 -2.337693032e+00 -2.337693032e+00 3.40 -2.310165545e+00 -2.310165545e+00 3.42 -2.281772016e+00 -2.281772016e+00 3.44 -2.252575871e+00 -2.252575871e+00 3.46 -2.222632888e+00 -2.222632888e+00 3.48 -2.191997176e+00 -2.191997176e+00 3.50 -2.160725964e+00 -2.160725964e+00 3.52 -2.128878133e+00 -2.128878133e+00 3.54 -2.096513017e+00 -2.096513017e+00 3.56 -2.063689448e+00 -2.063689448e+00 3.58 -2.030465084e+00 -2.030465084e+00 3.60 -1.996896045e+00 -1.996896045e+00 3.62 -1.963036829e+00 -1.963036829e+00 3.64 -1.928940430e+00 -1.928940430e+00 3.66 -1.894658575e+00 -1.894658575e+00 3.68 -1.860241929e+00 -1.860241929e+00 3.70 -1.825740155e+00 -1.825740155e+00 3.72 -1.791201708e+00 -1.791201708e+00 3.74 -1.756673329e+00 -1.756673329e+00 3.76 -1.722199260e+00 -1.722199260e+00 3.78 -1.687820299e+00 -1.687820299e+00 3.80 -1.653572863e+00 -1.653572863e+00 3.82 -1.619488263e+00 -1.619488263e+00 3.84 -1.585592321e+00 -1.585592321e+00 3.86 -1.551905430e+00 -1.551905430e+00 3.88 -1.518443044e+00 -1.518443044e+00 3.90 -1.485216509e+00 -1.485216509e+00 3.92 -1.452233472e+00 -1.452233472e+00 3.94 -1.419501729e+00 -1.419501729e+00 3.96 -1.387026096e+00 -1.387026096e+00 3.98 -1.354812398e+00 -1.354812398e+00 4.00 -1.322867518e+00 -1.322867518e+00 4.02 -1.291200051e+00 -1.291200051e+00 4.04 -1.259820734e+00 -1.259820734e+00 4.06 -1.228742665e+00 -1.228742665e+00 4.08 -1.197981298e+00 -1.197981298e+00 4.10 -1.167552241e+00 -1.167552241e+00 4.12 -1.137479176e+00 -1.137479176e+00 4.14 -1.107780270e+00 -1.107780270e+00 4.16 -1.078476784e+00 -1.078476784e+00 4.18 -1.049590097e+00 -1.049590097e+00 4.20 -1.021141276e+00 -1.021141276e+00 4.22 -9.931507609e-01 -9.931507609e-01 4.24 -9.656381905e-01 -9.656381905e-01 4.26 -9.386222759e-01 -9.386222759e-01 4.28 -9.121206494e-01 -9.121206494e-01 4.30 -8.861495824e-01 -8.861495824e-01 4.32 -8.607235139e-01 -8.607235139e-01 4.34 -8.358543792e-01 -8.358543792e-01 4.36 -8.115507988e-01 -8.115507988e-01 4.38 -7.878172370e-01 -7.878172370e-01 4.40 -7.646532667e-01 -7.646532667e-01 4.42 -7.420530683e-01 -7.420530683e-01 4.44 -7.200052538e-01 -7.200052538e-01 4.46 -6.984930505e-01 -6.984930505e-01 4.48 -6.774948276e-01 -6.774948276e-01 4.50 -6.569849030e-01 -6.569849030e-01 4.52 -6.369345456e-01 -6.369345456e-01 4.54 -6.173130815e-01 -6.173130815e-01 4.56 -5.980890237e-01 -5.980890237e-01 4.58 -5.792311626e-01 -5.792311626e-01 4.60 -5.607095691e-01 -5.607095691e-01 4.62 -5.424964838e-01 -5.424964838e-01 4.64 -5.245670702e-01 -5.245670702e-01 4.66 -5.069000195e-01 -5.069000195e-01 4.68 -4.894779964e-01 -4.894779964e-01 4.70 -4.722879194e-01 -4.722879194e-01 4.72 -4.553210751e-01 -4.553210751e-01 4.74 -4.385730742e-01 -4.385730742e-01 4.76 -4.220436718e-01 -4.220436718e-01 4.78 -4.057364858e-01 -4.057364858e-01 4.80 -3.896572145e-01 -3.896572145e-01 4.82 -3.738192847e-01 -3.738192847e-01 4.84 -3.582341621e-01 -3.582341621e-01 4.86 -3.429176042e-01 -3.429176042e-01 4.88 -3.278877263e-01 -3.278877263e-01 4.90 -3.131647917e-01 -3.131647917e-01 4.92 -2.987709646e-01 -2.987709646e-01 4.94 -2.847299638e-01 -2.847299638e-01 4.96 -2.710665641e-01 -2.710665641e-01 4.98 -2.578059160e-01 -2.578059160e-01 5.00 -2.449726920e-01 -2.449726920e-01 5.02 -2.325901059e-01 -2.325901059e-01 5.04 -2.206788870e-01 -2.206788870e-01 5.06 -2.092563101e-01 -2.092563101e-01 5.08 -1.983353842e-01 -1.983353842e-01 5.10 -1.879242849e-01 -1.879242849e-01 5.12 -1.780260837e-01 -1.780260837e-01 5.14 -1.686387870e-01 -1.686387870e-01 5.16 -1.597556590e-01 -1.597556590e-01 5.18 -1.513657728e-01 -1.513657728e-01 5.20 -1.434547140e-01 -1.434547140e-01 5.22 -1.360053475e-01 -1.360053475e-01 5.24 -1.289985789e-01 -1.289985789e-01 5.26 -1.224140579e-01 -1.224140579e-01 5.28 -1.162307680e-01 -1.162307680e-01 5.30 -1.104274866e-01 -1.104274866e-01 5.32 -1.049831095e-01 -1.049831095e-01 5.34 -9.987686879e-02 -9.987686879e-02 5.36 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