# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kumar-A-Chernatynskiy-A-Liang-T-et-al--Al-Ni-O # implementation = 2015--Kumar-A--Al-Ni-O--LAMMPS--ipr1 # composition = AlNi2O # 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 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 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 nan nan 1.60 nan nan 1.62 nan nan 1.64 nan nan 1.66 nan nan 1.68 nan nan 1.70 nan nan 1.72 nan nan 1.74 nan nan 1.76 nan nan 1.78 nan nan 1.80 nan nan 1.82 1.642360452e+00 1.642360452e+00 1.84 9.908078602e-01 9.908078602e-01 1.86 3.956456050e-01 3.956456050e-01 1.88 -1.635244958e-01 -1.635244958e-01 1.90 -7.441732809e-01 -7.441732809e-01 1.92 -1.330452363e+00 -1.330452363e+00 1.94 -1.897131692e+00 -1.897131692e+00 1.96 -2.420851688e+00 -2.420851688e+00 1.98 -2.883292884e+00 -2.883292884e+00 2.00 -3.272845806e+00 -3.272845806e+00 2.02 -3.584861733e+00 -3.584861733e+00 2.04 -3.820896058e+00 -3.820896058e+00 2.06 -3.991272277e+00 -3.991272277e+00 2.08 -4.133525839e+00 -4.133525839e+00 2.10 -4.202738013e+00 -4.202738013e+00 2.12 -4.171957483e+00 -4.171957483e+00 2.14 -4.059547307e+00 -4.059547307e+00 2.16 -3.892527359e+00 -3.892527359e+00 2.18 -3.702968226e+00 -3.702968226e+00 2.20 -3.523065912e+00 -3.523065912e+00 2.22 -3.379748259e+00 -3.379748259e+00 2.24 -3.289850923e+00 -3.289850923e+00 2.26 -3.257044073e+00 -3.257044073e+00 2.28 -3.269846338e+00 -3.269846338e+00 2.30 -3.303550190e+00 -3.303550190e+00 2.32 -3.336169649e+00 -3.336169649e+00 2.34 -3.351580102e+00 -3.351580102e+00 2.36 -3.353880430e+00 -3.353880430e+00 2.38 -3.350685746e+00 -3.350685746e+00 2.40 -3.342470852e+00 -3.342470852e+00 2.42 -3.329677498e+00 -3.329677498e+00 2.44 -3.312716565e+00 -3.312716565e+00 2.46 -3.291970104e+00 -3.291970104e+00 2.48 -3.267793241e+00 -3.267793241e+00 2.50 -3.240515963e+00 -3.240515963e+00 2.52 -3.210444776e+00 -3.210444776e+00 2.54 -3.177864266e+00 -3.177864266e+00 2.56 -3.143038548e+00 -3.143038548e+00 2.58 -3.106212627e+00 -3.106212627e+00 2.60 -3.067613669e+00 -3.067613669e+00 2.62 -3.027452185e+00 -3.027452185e+00 2.64 -2.985923139e+00 -2.985923139e+00 2.66 -2.940390981e+00 -2.940390981e+00 2.68 -2.887284435e+00 -2.887284435e+00 2.70 -2.826906287e+00 -2.826906287e+00 2.72 -2.760006342e+00 -2.760006342e+00 2.74 -2.687798494e+00 -2.687798494e+00 2.76 -2.611935610e+00 -2.611935610e+00 2.78 -2.534417078e+00 -2.534417078e+00 2.80 -2.457434300e+00 -2.457434300e+00 2.82 -2.383175017e+00 -2.383175017e+00 2.84 -2.313618874e+00 -2.313618874e+00 2.86 -2.250359469e+00 -2.250359469e+00 2.88 -2.194480165e+00 -2.194480165e+00 2.90 -2.146494973e+00 -2.146494973e+00 2.92 -2.103111410e+00 -2.103111410e+00 2.94 -2.060154195e+00 -2.060154195e+00 2.96 -2.017638550e+00 -2.017638550e+00 2.98 -1.975589843e+00 -1.975589843e+00 3.00 -1.934030658e+00 -1.934030658e+00 3.02 -1.891564726e+00 -1.891564726e+00 3.04 -1.847022707e+00 -1.847022707e+00 3.06 -1.797631515e+00 -1.797631515e+00 3.08 -1.725292240e+00 -1.725292240e+00 3.10 -1.628420676e+00 -1.628420676e+00 3.12 -1.509287200e+00 -1.509287200e+00 3.14 -1.370923002e+00 -1.370923002e+00 3.16 -1.217156415e+00 -1.217156415e+00 3.18 -1.052601190e+00 -1.052601190e+00 3.20 -8.825780193e-01 -8.825780193e-01 3.22 -7.129589761e-01 -7.129589761e-01 3.24 -5.499361631e-01 -5.499361631e-01 3.26 -3.997286628e-01 -3.997286628e-01 3.28 -2.682515995e-01 -2.682515995e-01 3.30 -1.607708571e-01 -1.607708571e-01 3.32 -8.155144704e-02 -8.155144704e-02 3.34 -3.348621992e-02 -3.348621992e-02 3.36 -1.438823907e-02 -1.438823907e-02 3.38 -4.159967912e-03 -4.159967912e-03 3.40 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00