# 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 = AlCuPb2 # 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 2.385166519e+02 2.385166519e+02 1.30 2.226833970e+02 2.226833970e+02 1.32 2.079514136e+02 2.079514136e+02 1.34 1.942371468e+02 1.942371468e+02 1.36 1.814616143e+02 1.814616143e+02 1.38 1.695501512e+02 1.695501512e+02 1.40 1.584335032e+02 1.584335032e+02 1.42 1.480491042e+02 1.480491042e+02 1.44 1.383414957e+02 1.383414957e+02 1.46 1.292618936e+02 1.292618936e+02 1.48 1.207671728e+02 1.207671728e+02 1.50 1.128183042e+02 1.128183042e+02 1.52 1.053786303e+02 1.053786303e+02 1.54 9.841286732e+01 9.841286732e+01 1.56 9.188704775e+01 9.188704775e+01 1.58 8.576905590e+01 8.576905590e+01 1.60 8.002923219e+01 8.002923219e+01 1.62 7.464086275e+01 7.464086275e+01 1.64 6.958048998e+01 6.958048998e+01 1.66 6.483728943e+01 6.483728943e+01 1.68 6.039828729e+01 6.039828729e+01 1.70 5.624701204e+01 5.624701204e+01 1.72 5.236661239e+01 5.236661239e+01 1.74 4.874030201e+01 4.874030201e+01 1.76 4.535170121e+01 4.535170121e+01 1.78 4.218493721e+01 4.218493721e+01 1.80 3.922476634e+01 3.922476634e+01 1.82 3.645671527e+01 3.645671527e+01 1.84 3.386721961e+01 3.386721961e+01 1.86 3.144370866e+01 3.144370866e+01 1.88 2.917460331e+01 2.917460331e+01 1.90 2.704922308e+01 2.704922308e+01 1.92 2.505767171e+01 2.505767171e+01 1.94 2.319081133e+01 2.319081133e+01 1.96 2.144029304e+01 2.144029304e+01 1.98 1.979860495e+01 1.979860495e+01 2.00 1.825903571e+01 1.825903571e+01 2.02 1.681553460e+01 1.681553460e+01 2.04 1.546252243e+01 1.546252243e+01 2.06 1.419473833e+01 1.419473833e+01 2.08 1.300716555e+01 1.300716555e+01 2.10 1.189501299e+01 1.189501299e+01 2.12 1.085373254e+01 1.085373254e+01 2.14 9.879026304e+00 9.879026304e+00 2.16 8.966847222e+00 8.966847222e+00 2.18 8.113393332e+00 8.113393332e+00 2.20 7.315097758e+00 7.315097758e+00 2.22 6.568624606e+00 6.568624606e+00 2.24 5.870864531e+00 5.870864531e+00 2.26 5.218927891e+00 5.218927891e+00 2.28 4.610132391e+00 4.610132391e+00 2.30 4.041978765e+00 4.041978765e+00 2.32 3.512116963e+00 3.512116963e+00 2.34 3.018321959e+00 3.018321959e+00 2.36 2.558461228e+00 2.558461228e+00 2.38 2.130480150e+00 2.130480150e+00 2.40 1.732396700e+00 1.732396700e+00 2.42 1.362305075e+00 1.362305075e+00 2.44 1.018384081e+00 1.018384081e+00 2.46 6.989083980e-01 6.989083980e-01 2.48 4.022595957e-01 4.022595957e-01 2.50 1.269353728e-01 1.269353728e-01 2.52 -1.284451745e-01 -1.284451745e-01 2.54 -3.651425703e-01 -3.651425703e-01 2.56 -5.843060422e-01 -5.843060422e-01 2.58 -7.869905337e-01 -7.869905337e-01 2.60 -9.741786652e-01 -9.741786652e-01 2.62 -1.146801584e+00 -1.146801584e+00 2.64 -1.305759033e+00 -1.305759033e+00 2.66 -1.451921137e+00 -1.451921137e+00 2.68 -1.586132368e+00 -1.586132368e+00 2.70 -1.709203994e+00 -1.709203994e+00 2.72 -1.821907679e+00 -1.821907679e+00 2.74 -1.925391965e+00 -1.925391965e+00 2.76 -2.020664432e+00 -2.020664432e+00 2.78 -2.107952480e+00 -2.107952480e+00 2.80 -2.187476710e+00 -2.187476710e+00 2.82 -2.259457567e+00 -2.259457567e+00 2.84 -2.324114457e+00 -2.324114457e+00 2.86 -2.381665846e+00 -2.381665846e+00 2.88 -2.432331549e+00 -2.432331549e+00 2.90 -2.476335911e+00 -2.476335911e+00 2.92 -2.513916719e+00 -2.513916719e+00 2.94 -2.545347257e+00 -2.545347257e+00 2.96 -2.570918050e+00 -2.570918050e+00 2.98 -2.590933046e+00 -2.590933046e+00 3.00 -2.605713417e+00 -2.605713417e+00 3.02 -2.615599802e+00 -2.615599802e+00 3.04 -2.620951310e+00 -2.620951310e+00 3.06 -2.622144472e+00 -2.622144472e+00 3.08 -2.619561711e+00 -2.619561711e+00 3.10 -2.613584508e+00 -2.613584508e+00 3.12 -2.604580691e+00 -2.604580691e+00 3.14 -2.592899275e+00 -2.592899275e+00 3.16 -2.578855745e+00 -2.578855745e+00 3.18 -2.562738443e+00 -2.562738443e+00 3.20 -2.544846647e+00 -2.544846647e+00 3.22 -2.525363602e+00 -2.525363602e+00 3.24 -2.504423813e+00 -2.504423813e+00 3.26 -2.482139420e+00 -2.482139420e+00 3.28 -2.458602345e+00 -2.458602345e+00 3.30 -2.433887631e+00 -2.433887631e+00 3.32 -2.408057729e+00 -2.408057729e+00 3.34 -2.381167155e+00 -2.381167155e+00 3.36 -2.353266948e+00 -2.353266948e+00 3.38 -2.324407006e+00 -2.324407006e+00 3.40 -2.294630460e+00 -2.294630460e+00 3.42 -2.263981535e+00 -2.263981535e+00 3.44 -2.232510646e+00 -2.232510646e+00 3.46 -2.200274538e+00 -2.200274538e+00 3.48 -2.167334443e+00 -2.167334443e+00 3.50 -2.133754358e+00 -2.133754358e+00 3.52 -2.099599360e+00 -2.099599360e+00 3.54 -2.064934170e+00 -2.064934170e+00 3.56 -2.029822097e+00 -2.029822097e+00 3.58 -1.994324435e+00 -1.994324435e+00 3.60 -1.958500328e+00 -1.958500328e+00 3.62 -1.922407085e+00 -1.922407085e+00 3.64 -1.886100818e+00 -1.886100818e+00 3.66 -1.849637312e+00 -1.849637312e+00 3.68 -1.813072927e+00 -1.813072927e+00 3.70 -1.776465364e+00 -1.776465364e+00 3.72 -1.739874126e+00 -1.739874126e+00 3.74 -1.703360528e+00 -1.703360528e+00 3.76 -1.666987204e+00 -1.666987204e+00 3.78 -1.630817123e+00 -1.630817123e+00 3.80 -1.594912196e+00 -1.594912196e+00 3.82 -1.559331611e+00 -1.559331611e+00 3.84 -1.524130062e+00 -1.524130062e+00 3.86 -1.489356044e+00 -1.489356044e+00 3.88 -1.455050362e+00 -1.455050362e+00 3.90 -1.421245012e+00 -1.421245012e+00 3.92 -1.387961846e+00 -1.387961846e+00 3.94 -1.355215271e+00 -1.355215271e+00 3.96 -1.323008202e+00 -1.323008202e+00 3.98 -1.291336017e+00 -1.291336017e+00 4.00 -1.260186918e+00 -1.260186918e+00 4.02 -1.229543296e+00 -1.229543296e+00 4.04 -1.199383167e+00 -1.199383167e+00 4.06 -1.169681571e+00 -1.169681571e+00 4.08 -1.140411874e+00 -1.140411874e+00 4.10 -1.111544979e+00 -1.111544979e+00 4.12 -1.083058787e+00 -1.083058787e+00 4.14 -1.054926138e+00 -1.054926138e+00 4.16 -1.027125068e+00 -1.027125068e+00 4.18 -9.996373996e-01 -9.996373996e-01 4.20 -9.724497433e-01 -9.724497433e-01 4.22 -9.455544239e-01 -9.455544239e-01 4.24 -9.189502553e-01 -9.189502553e-01 4.26 -8.926430748e-01 -8.926430748e-01 4.28 -8.666459457e-01 -8.666459457e-01 4.30 -8.409789565e-01 -8.409789565e-01 4.32 -8.156685819e-01 -8.156685819e-01 4.34 -7.907466142e-01 -7.907466142e-01 4.36 -7.662487230e-01 -7.662487230e-01 4.38 -7.422127372e-01 -7.422127372e-01 4.40 -7.186767659e-01 -7.186767659e-01 4.42 -6.956772800e-01 -6.956772800e-01 4.44 -6.732472692e-01 -6.732472692e-01 4.46 -6.514145786e-01 -6.514145786e-01 4.48 -6.302005124e-01 -6.302005124e-01 4.50 -6.096187784e-01 -6.096187784e-01 4.52 -5.896748284e-01 -5.896748284e-01 4.54 -5.703656243e-01 -5.703656243e-01 4.56 -5.516798313e-01 -5.516798313e-01 4.58 -5.335984017e-01 -5.335984017e-01 4.60 -5.160954873e-01 -5.160954873e-01 4.62 -4.991395936e-01 -4.991395936e-01 4.64 -4.826948825e-01 -4.826948825e-01 4.66 -4.667225367e-01 -4.667225367e-01 4.68 -4.511821122e-01 -4.511821122e-01 4.70 -4.360328314e-01 -4.360328314e-01 4.72 -4.212347874e-01 -4.212347874e-01 4.74 -4.067500500e-01 -4.067500500e-01 4.76 -3.925436759e-01 -3.925436759e-01 4.78 -3.785846280e-01 -3.785846280e-01 4.80 -3.648451419e-01 -3.648451419e-01 4.82 -3.513075441e-01 -3.513075441e-01 4.84 -3.379553606e-01 -3.379553606e-01 4.86 -3.247804031e-01 -3.247804031e-01 4.88 -3.117812977e-01 -3.117812977e-01 4.90 -2.989635021e-01 -2.989635021e-01 4.92 -2.863390264e-01 -2.863390264e-01 4.94 -2.739258288e-01 -2.739258288e-01 4.96 -2.617468776e-01 -2.617468776e-01 4.98 -2.498289101e-01 -2.498289101e-01 5.00 -2.382009536e-01 -2.382009536e-01 5.02 -2.268927092e-01 -2.268927092e-01 5.04 -2.159329207e-01 -2.159329207e-01 5.06 -2.053478612e-01 -2.053478612e-01 5.08 -1.951600560e-01 -1.951600560e-01 5.10 -1.853873357e-01 -1.853873357e-01 5.12 -1.760422690e-01 -1.760422690e-01 5.14 -1.671319832e-01 -1.671319832e-01 5.16 -1.586583362e-01 -1.586583362e-01 5.18 -1.506183731e-01 -1.506183731e-01 5.20 -1.430049791e-01 -1.430049791e-01 5.22 -1.358076274e-01 -1.358076274e-01 5.24 -1.290131592e-01 -1.290131592e-01 5.26 -1.226065100e-01 -1.226065100e-01 5.28 -1.165713408e-01 -1.165713408e-01 5.30 -1.108905403e-01 -1.108905403e-01 5.32 -1.055466029e-01 -1.055466029e-01 5.34 -1.005218978e-01 -1.005218978e-01 5.36 -9.579884401e-02 -9.579884401e-02 5.38 -9.135998633e-02 -9.135998633e-02 5.40 -8.718715595e-02 -8.718715595e-02 5.42 -8.326363415e-02 -8.326363415e-02 5.44 -7.957342921e-02 -7.957342921e-02 5.46 -7.610064802e-02 -7.610064802e-02 5.48 -7.282963749e-02 -7.282963749e-02 5.50 -6.974510984e-02 -6.974510984e-02 5.52 -6.683225303e-02 -6.683225303e-02 5.54 -6.407682557e-02 -6.407682557e-02 5.56 -6.146523453e-02 -6.146523453e-02 5.58 -5.898459578e-02 -5.898459578e-02 5.60 -5.662277640e-02 -5.662277640e-02 5.62 -5.436842030e-02 -5.436842030e-02 5.64 -5.221095889e-02 -5.221095889e-02 5.66 -5.014060950e-02 -5.014060950e-02 5.68 -4.814836438e-02 -4.814836438e-02 5.70 -4.622597356e-02 -4.622597356e-02 5.72 -4.436592432e-02 -4.436592432e-02 5.74 -4.256142005e-02 -4.256142005e-02 5.76 -4.080636059e-02 -4.080636059e-02 5.78 -3.909532553e-02 -3.909532553e-02 5.80 -3.742356251e-02 -3.742356251e-02 5.82 -3.578697906e-02 -3.578697906e-02 5.84 -3.418213882e-02 -3.418213882e-02 5.86 -3.260626125e-02 -3.260626125e-02 5.88 -3.105722296e-02 -3.105722296e-02 5.90 -2.953355857e-02 -2.953355857e-02 5.92 -2.803445855e-02 -2.803445855e-02 5.94 -2.655976097e-02 -2.655976097e-02 5.96 -2.510993428e-02 -2.510993428e-02 5.98 -2.368604594e-02 -2.368604594e-02 6.00 -2.228971926e-02 -2.228971926e-02