# 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 = AlPb2W # 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 3.891863916e+02 3.891863916e+02 1.30 3.637435644e+02 3.637435644e+02 1.32 3.400414279e+02 3.400414279e+02 1.34 3.179480484e+02 3.179480484e+02 1.36 2.973476148e+02 2.973476148e+02 1.38 2.781361640e+02 2.781361640e+02 1.40 2.602176408e+02 2.602176408e+02 1.42 2.435011333e+02 2.435011333e+02 1.44 2.278996064e+02 2.278996064e+02 1.46 2.133300882e+02 2.133300882e+02 1.48 1.997145900e+02 1.997145900e+02 1.50 1.869807446e+02 1.869807446e+02 1.52 1.750618573e+02 1.750618573e+02 1.54 1.638968348e+02 1.638968348e+02 1.56 1.534300853e+02 1.534300853e+02 1.58 1.436112577e+02 1.436112577e+02 1.60 1.343947094e+02 1.343947094e+02 1.62 1.257389426e+02 1.257389426e+02 1.64 1.176061295e+02 1.176061295e+02 1.66 1.099617947e+02 1.099617947e+02 1.68 1.027744833e+02 1.027744833e+02 1.70 9.601534207e+01 9.601534207e+01 1.72 8.965778116e+01 8.965778116e+01 1.74 8.367741996e+01 8.367741996e+01 1.76 7.805262888e+01 7.805262888e+01 1.78 7.276379423e+01 7.276379423e+01 1.80 6.779329647e+01 6.779329647e+01 1.82 6.313052972e+01 6.313052972e+01 1.84 5.877187652e+01 5.877187652e+01 1.86 5.470111772e+01 5.470111772e+01 1.88 5.090118584e+01 5.090118584e+01 1.90 4.735478940e+01 4.735478940e+01 1.92 4.404463311e+01 4.404463311e+01 1.94 4.095383822e+01 4.095383822e+01 1.96 3.806637773e+01 3.806637773e+01 1.98 3.536741086e+01 3.536741086e+01 2.00 3.284340068e+01 3.284340068e+01 2.02 3.048202012e+01 3.048202012e+01 2.04 2.827193763e+01 2.827193763e+01 2.06 2.620260725e+01 2.620260725e+01 2.08 2.426414014e+01 2.426414014e+01 2.10 2.244725184e+01 2.244725184e+01 2.12 2.074327554e+01 2.074327554e+01 2.14 1.914418805e+01 1.914418805e+01 2.16 1.764263796e+01 1.764263796e+01 2.18 1.623195835e+01 1.623195835e+01 2.20 1.490614835e+01 1.490614835e+01 2.22 1.365983229e+01 1.365983229e+01 2.24 1.248819337e+01 1.248819337e+01 2.26 1.138689433e+01 1.138689433e+01 2.28 1.035199874e+01 1.035199874e+01 2.30 9.379892175e+00 9.379892175e+00 2.32 8.467215422e+00 8.467215422e+00 2.34 7.610818749e+00 7.610818749e+00 2.36 6.807713254e+00 6.807713254e+00 2.38 6.055055764e+00 6.055055764e+00 2.40 5.350153131e+00 5.350153131e+00 2.42 4.690280210e+00 4.690280210e+00 2.44 4.072790994e+00 4.072790994e+00 2.46 3.495142573e+00 3.495142573e+00 2.48 2.954909109e+00 2.954909109e+00 2.50 2.449801105e+00 2.449801105e+00 2.52 1.977684148e+00 1.977684148e+00 2.54 1.536591564e+00 1.536591564e+00 2.56 1.124750175e+00 1.124750175e+00 2.58 7.406896898e-01 7.406896898e-01 2.60 3.830925623e-01 3.830925623e-01 2.62 5.070177869e-02 5.070177869e-02 2.64 -2.577005460e-01 -2.577005460e-01 2.66 -5.432991864e-01 -5.432991864e-01 2.68 -8.072559408e-01 -8.072559408e-01 2.70 -1.050707256e+00 -1.050707256e+00 2.72 -1.274759058e+00 -1.274759058e+00 2.74 -1.480480215e+00 -1.480480215e+00 2.76 -1.668896574e+00 -1.668896574e+00 2.78 -1.840986380e+00 -1.840986380e+00 2.80 -1.997677875e+00 -1.997677875e+00 2.82 -2.139847501e+00 -2.139847501e+00 2.84 -2.268320728e+00 -2.268320728e+00 2.86 -2.384530022e+00 -2.384530022e+00 2.88 -2.489560628e+00 -2.489560628e+00 2.90 -2.583668229e+00 -2.583668229e+00 2.92 -2.667119753e+00 -2.667119753e+00 2.94 -2.740200608e+00 -2.740200608e+00 2.96 -2.803225238e+00 -2.803225238e+00 2.98 -2.856552846e+00 -2.856552846e+00 3.00 -2.900627247e+00 -2.900627247e+00 3.02 -2.935963976e+00 -2.935963976e+00 3.04 -2.963129283e+00 -2.963129283e+00 3.06 -2.982735462e+00 -2.982735462e+00 3.08 -2.995424629e+00 -2.995424629e+00 3.10 -3.001851197e+00 -3.001851197e+00 3.12 -3.002657952e+00 -3.002657952e+00 3.14 -2.998460934e+00 -2.998460934e+00 3.16 -2.989822854e+00 -2.989822854e+00 3.18 -2.977247999e+00 -2.977247999e+00 3.20 -2.961174087e+00 -2.961174087e+00 3.22 -2.941970505e+00 -2.941970505e+00 3.24 -2.919940165e+00 -2.919940165e+00 3.26 -2.895324311e+00 -2.895324311e+00 3.28 -2.868309892e+00 -2.868309892e+00 3.30 -2.839039143e+00 -2.839039143e+00 3.32 -2.807620857e+00 -2.807620857e+00 3.34 -2.774144505e+00 -2.774144505e+00 3.36 -2.738781432e+00 -2.738781432e+00 3.38 -2.701555276e+00 -2.701555276e+00 3.40 -2.662428885e+00 -2.662428885e+00 3.42 -2.621412005e+00 -2.621412005e+00 3.44 -2.578564800e+00 -2.578564800e+00 3.46 -2.534000231e+00 -2.534000231e+00 3.48 -2.487868798e+00 -2.487868798e+00 3.50 -2.440319121e+00 -2.440319121e+00 3.52 -2.391538587e+00 -2.391538587e+00 3.54 -2.341756012e+00 -2.341756012e+00 3.56 -2.291226957e+00 -2.291226957e+00 3.58 -2.240218826e+00 -2.240218826e+00 3.60 -2.188997092e+00 -2.188997092e+00 3.62 -2.137813782e+00 -2.137813782e+00 3.64 -2.086898906e+00 -2.086898906e+00 3.66 -2.036454988e+00 -2.036454988e+00 3.68 -1.986654442e+00 -1.986654442e+00 3.70 -1.937639209e+00 -1.937639209e+00 3.72 -1.889521967e+00 -1.889521967e+00 3.74 -1.842388227e+00 -1.842388227e+00 3.76 -1.796298807e+00 -1.796298807e+00 3.78 -1.751292359e+00 -1.751292359e+00 3.80 -1.707387848e+00 -1.707387848e+00 3.82 -1.664586982e+00 -1.664586982e+00 3.84 -1.622876662e+00 -1.622876662e+00 3.86 -1.582231507e+00 -1.582231507e+00 3.88 -1.542616429e+00 -1.542616429e+00 3.90 -1.503989176e+00 -1.503989176e+00 3.92 -1.466301998e+00 -1.466301998e+00 3.94 -1.429506861e+00 -1.429506861e+00 3.96 -1.393552415e+00 -1.393552415e+00 3.98 -1.358388795e+00 -1.358388795e+00 4.00 -1.323967762e+00 -1.323967762e+00 4.02 -1.290243430e+00 -1.290243430e+00 4.04 -1.257172733e+00 -1.257172733e+00 4.06 -1.224715769e+00 -1.224715769e+00 4.08 -1.192836075e+00 -1.192836075e+00 4.10 -1.161498496e+00 -1.161498496e+00 4.12 -1.130679781e+00 -1.130679781e+00 4.14 -1.100353048e+00 -1.100353048e+00 4.16 -1.070499673e+00 -1.070499673e+00 4.18 -1.041106984e+00 -1.041106984e+00 4.20 -1.012168929e+00 -1.012168929e+00 4.22 -9.836865895e-01 -9.836865895e-01 4.24 -9.556684117e-01 -9.556684117e-01 4.26 -9.281300224e-01 -9.281300224e-01 4.28 -9.010935102e-01 -9.010935102e-01 4.30 -8.745861317e-01 -8.745861317e-01 4.32 -8.486384756e-01 -8.486384756e-01 4.34 -8.232822098e-01 -8.232822098e-01 4.36 -7.985476219e-01 -7.985476219e-01 4.38 -7.744612070e-01 -7.744612070e-01 4.40 -7.510435625e-01 -7.510435625e-01 4.42 -7.283078008e-01 -7.283078008e-01 4.44 -7.062586121e-01 -7.062586121e-01 4.46 -6.848920053e-01 -6.848920053e-01 4.48 -6.641956657e-01 -6.641956657e-01 4.50 -6.441498000e-01 -6.441498000e-01 4.52 -6.247283030e-01 -6.247283030e-01 4.54 -6.059000812e-01 -6.059000812e-01 4.56 -5.876303915e-01 -5.876303915e-01 4.58 -5.698820917e-01 -5.698820917e-01 4.60 -5.526167410e-01 -5.526167410e-01 4.62 -5.357955274e-01 -5.357955274e-01 4.64 -5.193800283e-01 -5.193800283e-01 4.66 -5.033328307e-01 -5.033328307e-01 4.68 -4.876180486e-01 -4.876180486e-01 4.70 -4.722017782e-01 -4.722017782e-01 4.72 -4.570525290e-01 -4.570525290e-01 4.74 -4.421416609e-01 -4.421416609e-01 4.76 -4.274438495e-01 -4.274438495e-01 4.78 -4.129375840e-01 -4.129375840e-01 4.80 -3.986042274e-01 -3.986042274e-01 4.82 -3.844346401e-01 -3.844346401e-01 4.84 -3.704201477e-01 -3.704201477e-01 4.86 -3.565595813e-01 -3.565595813e-01 4.88 -3.428577901e-01 -3.428577901e-01 4.90 -3.293256802e-01 -3.293256802e-01 4.92 -3.159799790e-01 -3.159799790e-01 4.94 -3.028426868e-01 -3.028426868e-01 4.96 -2.899402024e-01 -2.899402024e-01 4.98 -2.773021469e-01 -2.773021469e-01 5.00 -2.649599486e-01 -2.649599486e-01 5.02 -2.529452869e-01 -2.529452869e-01 5.04 -2.412885173e-01 -2.412885173e-01 5.06 -2.300172079e-01 -2.300172079e-01 5.08 -2.191549082e-01 -2.191549082e-01 5.10 -2.087202409e-01 -2.087202409e-01 5.12 -1.987263701e-01 -1.987263701e-01 5.14 -1.891808510e-01 -1.891808510e-01 5.16 -1.800858286e-01 -1.800858286e-01 5.18 -1.714385151e-01 -1.714385151e-01 5.20 -1.632318628e-01 -1.632318628e-01 5.22 -1.554553265e-01 -1.554553265e-01 5.24 -1.480956583e-01 -1.480956583e-01 5.26 -1.411376442e-01 -1.411376442e-01 5.28 -1.345647458e-01 -1.345647458e-01 5.30 -1.283596089e-01 -1.283596089e-01 5.32 -1.225044498e-01 -1.225044498e-01 5.34 -1.169813289e-01 -1.169813289e-01 5.36 -1.117723309e-01 -1.117723309e-01 5.38 -1.068596379e-01 -1.068596379e-01 5.40 -1.022246982e-01 -1.022246982e-01 5.42 -9.785043308e-02 -9.785043308e-02 5.44 -9.372043931e-02 -9.372043931e-02 5.46 -8.981840318e-02 -8.981840318e-02 5.48 -8.612824257e-02 -8.612824257e-02 5.50 -8.263423298e-02 -8.263423298e-02 5.52 -7.932111880e-02 -7.932111880e-02 5.54 -7.617420916e-02 -7.617420916e-02 5.56 -7.317945705e-02 -7.317945705e-02 5.58 -7.032352090e-02 -7.032352090e-02 5.60 -6.759380863e-02 -6.759380863e-02 5.62 -6.497850513e-02 -6.497850513e-02 5.64 -6.246658533e-02 -6.246658533e-02 5.66 -6.004781536e-02 -6.004781536e-02 5.68 -5.771274494e-02 -5.771274494e-02 5.70 -5.545269418e-02 -5.545269418e-02 5.72 -5.325973780e-02 -5.325973780e-02 5.74 -5.112668934e-02 -5.112668934e-02 5.76 -4.904708770e-02 -4.904708770e-02 5.78 -4.701518732e-02 -4.701518732e-02 5.80 -4.502595411e-02 -4.502595411e-02 5.82 -4.307506531e-02 -4.307506531e-02 5.84 -4.115891423e-02 -4.115891423e-02 5.86 -3.927461838e-02 -3.927461838e-02 5.88 -3.742002899e-02 -3.742002899e-02 5.90 -3.559373913e-02 -3.559373913e-02 5.92 -3.379508755e-02 -3.379508755e-02 5.94 -3.202415451e-02 -3.202415451e-02 5.96 -3.028174591e-02 -3.028174591e-02 5.98 -2.856936040e-02 -2.856936040e-02 6.00 -2.688914081e-02 -2.688914081e-02