# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Zr-Ag # implementation = 2009--Kang-K-H--Cu-Zr-Ag--LAMMPS--ipr1 # composition = AgCu2Zr # 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 2022-05-24 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 6.733216694e+02 6.733216694e+02 1.00 6.286573896e+02 6.286573896e+02 1.02 5.868406726e+02 5.868406726e+02 1.04 5.476942354e+02 5.476942354e+02 1.06 5.110516180e+02 5.110516180e+02 1.08 4.767565368e+02 4.767565368e+02 1.10 4.446622727e+02 4.446622727e+02 1.12 4.146310969e+02 4.146310969e+02 1.14 3.865337306e+02 3.865337306e+02 1.16 3.602488356e+02 3.602488356e+02 1.18 3.356625361e+02 3.356625361e+02 1.20 3.126679682e+02 3.126679682e+02 1.22 2.911648557e+02 2.911648557e+02 1.24 2.710591124e+02 2.710591124e+02 1.26 2.522624665e+02 2.522624665e+02 1.28 2.346921081e+02 2.346921081e+02 1.30 2.182703578e+02 2.182703578e+02 1.32 2.029243548e+02 2.029243548e+02 1.34 1.885857631e+02 1.885857631e+02 1.36 1.751904965e+02 1.751904965e+02 1.38 1.626784589e+02 1.626784589e+02 1.40 1.509933005e+02 1.509933005e+02 1.42 1.400821890e+02 1.400821890e+02 1.44 1.298955940e+02 1.298955940e+02 1.46 1.203870846e+02 1.203870846e+02 1.48 1.115131391e+02 1.115131391e+02 1.50 1.032329663e+02 1.032329663e+02 1.52 9.550833755e+01 9.550833755e+01 1.54 8.830342860e+01 8.830342860e+01 1.56 8.158467153e+01 8.158467153e+01 1.58 7.532061540e+01 7.532061540e+01 1.60 6.948179522e+01 6.948179522e+01 1.62 6.404060903e+01 6.404060903e+01 1.64 5.897120252e+01 5.897120252e+01 1.66 5.424936040e+01 5.424936040e+01 1.68 4.985240466e+01 4.985240466e+01 1.70 4.575909891e+01 4.575909891e+01 1.72 4.194955847e+01 4.194955847e+01 1.74 3.840516619e+01 3.840516619e+01 1.76 3.510849323e+01 3.510849323e+01 1.78 3.204322469e+01 3.204322469e+01 1.80 2.919408999e+01 2.919408999e+01 1.82 2.654679727e+01 2.654679727e+01 1.84 2.408797203e+01 2.408797203e+01 1.86 2.180509949e+01 2.180509949e+01 1.88 1.968647041e+01 1.968647041e+01 1.90 1.772113039e+01 1.772113039e+01 1.92 1.589883224e+01 1.589883224e+01 1.94 1.420999126e+01 1.420999126e+01 1.96 1.264564340e+01 1.264564340e+01 1.98 1.119740589e+01 1.119740589e+01 2.00 9.857440398e+00 9.857440398e+00 2.02 8.618418479e+00 8.618418479e+00 2.04 7.473489110e+00 7.473489110e+00 2.06 6.416248311e+00 6.416248311e+00 2.08 5.440710668e+00 5.440710668e+00 2.10 4.541282566e+00 4.541282566e+00 2.12 3.712737182e+00 3.712737182e+00 2.14 2.950190996e+00 2.950190996e+00 2.16 2.249081771e+00 2.249081771e+00 2.18 1.605147960e+00 1.605147960e+00 2.20 1.014409362e+00 1.014409362e+00 2.22 4.731490136e-01 4.731490136e-01 2.24 -2.210375365e-02 -2.210375365e-02 2.26 -4.745892305e-01 -4.745892305e-01 2.28 -8.873322090e-01 -8.873322090e-01 2.30 -1.263155918e+00 -1.263155918e+00 2.32 -1.604695104e+00 -1.604695104e+00 2.34 -1.914408246e+00 -1.914408246e+00 2.36 -2.194589015e+00 -2.194589015e+00 2.38 -2.447377008e+00 -2.447377008e+00 2.40 -2.674767774e+00 -2.674767774e+00 2.42 -2.878622225e+00 -2.878622225e+00 2.44 -3.060675439e+00 -3.060675439e+00 2.46 -3.222544885e+00 -3.222544885e+00 2.48 -3.365738144e+00 -3.365738144e+00 2.50 -3.491660119e+00 -3.491660119e+00 2.52 -3.601619782e+00 -3.601619782e+00 2.54 -3.696836502e+00 -3.696836502e+00 2.56 -3.778445944e+00 -3.778445944e+00 2.58 -3.847505601e+00 -3.847505601e+00 2.60 -3.904999970e+00 -3.904999970e+00 2.62 -3.951845385e+00 -3.951845385e+00 2.64 -3.988894542e+00 -3.988894542e+00 2.66 -4.016940732e+00 -4.016940732e+00 2.68 -4.036721792e+00 -4.036721792e+00 2.70 -4.048923808e+00 -4.048923808e+00 2.72 -4.054184574e+00 -4.054184574e+00 2.74 -4.053096818e+00 -4.053096818e+00 2.76 -4.046211231e+00 -4.046211231e+00 2.78 -4.034039287e+00 -4.034039287e+00 2.80 -4.017055881e+00 -4.017055881e+00 2.82 -3.995701800e+00 -3.995701800e+00 2.84 -3.970386021e+00 -3.970386021e+00 2.86 -3.941487866e+00 -3.941487866e+00 2.88 -3.909359017e+00 -3.909359017e+00 2.90 -3.874325387e+00 -3.874325387e+00 2.92 -3.836688880e+00 -3.836688880e+00 2.94 -3.796729028e+00 -3.796729028e+00 2.96 -3.754704520e+00 -3.754704520e+00 2.98 -3.710854629e+00 -3.710854629e+00 3.00 -3.665400550e+00 -3.665400550e+00 3.02 -3.618546643e+00 -3.618546643e+00 3.04 -3.570481592e+00 -3.570481592e+00 3.06 -3.521379494e+00 -3.521379494e+00 3.08 -3.471400868e+00 -3.471400868e+00 3.10 -3.420693602e+00 -3.420693602e+00 3.12 -3.369393831e+00 -3.369393831e+00 3.14 -3.317626762e+00 -3.317626762e+00 3.16 -3.265507439e+00 -3.265507439e+00 3.18 -3.213141459e+00 -3.213141459e+00 3.20 -3.160625639e+00 -3.160625639e+00 3.22 -3.108048635e+00 -3.108048635e+00 3.24 -3.055491529e+00 -3.055491529e+00 3.26 -3.003028362e+00 -3.003028362e+00 3.28 -2.950726641e+00 -2.950726641e+00 3.30 -2.898647810e+00 -2.898647810e+00 3.32 -2.846847686e+00 -2.846847686e+00 3.34 -2.795376867e+00 -2.795376867e+00 3.36 -2.744281112e+00 -2.744281112e+00 3.38 -2.693601696e+00 -2.693601696e+00 3.40 -2.643375739e+00 -2.643375739e+00 3.42 -2.593636512e+00 -2.593636512e+00 3.44 -2.544413725e+00 -2.544413725e+00 3.46 -2.495733793e+00 -2.495733793e+00 3.48 -2.447620080e+00 -2.447620080e+00 3.50 -2.400093136e+00 -2.400093136e+00 3.52 -2.353170907e+00 -2.353170907e+00 3.54 -2.306868936e+00 -2.306868936e+00 3.56 -2.261200549e+00 -2.261200549e+00 3.58 -2.216177028e+00 -2.216177028e+00 3.60 -2.171807772e+00 -2.171807772e+00 3.62 -2.128100445e+00 -2.128100445e+00 3.64 -2.085061117e+00 -2.085061117e+00 3.66 -2.042694391e+00 -2.042694391e+00 3.68 -2.001003526e+00 -2.001003526e+00 3.70 -1.959990544e+00 -1.959990544e+00 3.72 -1.919656338e+00 -1.919656338e+00 3.74 -1.880000765e+00 -1.880000765e+00 3.76 -1.841022739e+00 -1.841022739e+00 3.78 -1.802720310e+00 -1.802720310e+00 3.80 -1.765090741e+00 -1.765090741e+00 3.82 -1.728130583e+00 -1.728130583e+00 3.84 -1.691835738e+00 -1.691835738e+00 3.86 -1.656201523e+00 -1.656201523e+00 3.88 -1.621222721e+00 -1.621222721e+00 3.90 -1.586893643e+00 -1.586893643e+00 3.92 -1.553208168e+00 -1.553208168e+00 3.94 -1.520159793e+00 -1.520159793e+00 3.96 -1.487741672e+00 -1.487741672e+00 3.98 -1.455946660e+00 -1.455946660e+00 4.00 -1.424767341e+00 -1.424767341e+00 4.02 -1.394196068e+00 -1.394196068e+00 4.04 -1.364224987e+00 -1.364224987e+00 4.06 -1.334846072e+00 -1.334846072e+00 4.08 -1.306051146e+00 -1.306051146e+00 4.10 -1.277831907e+00 -1.277831907e+00 4.12 -1.250179950e+00 -1.250179950e+00 4.14 -1.223086786e+00 -1.223086786e+00 4.16 -1.196543862e+00 -1.196543862e+00 4.18 -1.170542578e+00 -1.170542578e+00 4.20 -1.145074303e+00 -1.145074303e+00 4.22 -1.120130389e+00 -1.120130389e+00 4.24 -1.095702183e+00 -1.095702183e+00 4.26 -1.071489258e+00 -1.071489258e+00 4.28 -1.041523049e+00 -1.041523049e+00 4.30 -9.868592358e-01 -9.868592358e-01 4.32 -8.855854951e-01 -8.855854951e-01 4.34 -8.361181216e-01 -8.361181216e-01 4.36 -8.181848811e-01 -8.181848811e-01 4.38 -8.006296020e-01 -8.006296020e-01 4.40 -7.834452454e-01 -7.834452454e-01 4.42 -7.666248481e-01 -7.666248481e-01 4.44 -7.501615252e-01 -7.501615252e-01 4.46 -7.340484730e-01 -7.340484730e-01 4.48 -7.182789712e-01 -7.182789712e-01 4.50 -7.028463854e-01 -7.028463854e-01 4.52 -6.877441684e-01 -6.877441684e-01 4.54 -6.729658619e-01 -6.729658619e-01 4.56 -6.585050978e-01 -6.585050978e-01 4.58 -6.443555992e-01 -6.443555992e-01 4.60 -6.305111814e-01 -6.305111814e-01 4.62 -6.169657524e-01 -6.169657524e-01 4.64 -6.037133134e-01 -6.037133134e-01 4.66 -5.907479591e-01 -5.907479591e-01 4.68 -5.780638782e-01 -5.780638782e-01 4.70 -5.656553530e-01 -5.656553530e-01 4.72 -5.535167596e-01 -5.535167596e-01 4.74 -5.416425675e-01 -5.416425675e-01 4.76 -5.300273396e-01 -5.300273396e-01 4.78 -5.186657316e-01 -5.186657316e-01 4.80 -5.075524914e-01 -5.075524914e-01 4.82 -4.966824589e-01 -4.966824589e-01 4.84 -4.860505651e-01 -4.860505651e-01 4.86 -4.756518315e-01 -4.756518315e-01 4.88 -4.654813694e-01 -4.654813694e-01 4.90 -4.555343788e-01 -4.555343788e-01 4.92 -4.450472148e-01 -4.450472148e-01 4.94 -4.243303046e-01 -4.243303046e-01 4.96 -3.657790994e-01 -3.657790994e-01 4.98 -2.181780035e-01 -2.181780035e-01 5.00 -3.254870646e-22 -3.253625698e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 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