# 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 = NiO2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 2.977869751e+00 1.68 2.186535085e+00 1.70 1.475302009e+00 1.72 8.506827482e-01 1.74 3.176140525e-01 1.76 -1.221599833e-01 1.78 -4.723759409e-01 1.80 -7.640884955e-01 1.82 -1.012584612e+00 1.84 -1.226986761e+00 1.86 -1.414343555e+00 1.88 -1.587656044e+00 1.90 -1.784433834e+00 1.92 -1.995275573e+00 1.94 -2.204662010e+00 1.96 -2.397615234e+00 1.98 -2.561274949e+00 2.00 -2.685905116e+00 2.02 -2.765564590e+00 2.04 -2.798614853e+00 2.06 -2.790897758e+00 2.08 -2.770877620e+00 2.10 -2.745014048e+00 2.12 -2.714018200e+00 2.14 -2.678538663e+00 2.16 -2.639166383e+00 2.18 -2.596439233e+00 2.20 -2.550846231e+00 2.22 -2.502831448e+00 2.24 -2.452797616e+00 2.26 -2.401109457e+00 2.28 -2.348096774e+00 2.30 -2.294057293e+00 2.32 -2.239259294e+00 2.34 -2.183944042e+00 2.36 -2.128328030e+00 2.38 -2.072605049e+00 2.40 -2.016948097e+00 2.42 -1.961511144e+00 2.44 -1.906430760e+00 2.46 -1.851827609e+00 2.48 -1.797807836e+00 2.50 -1.744464339e+00 2.52 -1.691877942e+00 2.54 -1.640118477e+00 2.56 -1.589245777e+00 2.58 -1.539310592e+00 2.60 -1.490355432e+00 2.62 -1.442415340e+00 2.64 -1.395518606e+00 2.66 -1.349687415e+00 2.68 -1.304938454e+00 2.70 -1.261283458e+00 2.72 -1.218729716e+00 2.74 -1.177280536e+00 2.76 -1.136935666e+00 2.78 -1.097691686e+00 2.80 -1.059542357e+00 2.82 -1.022478953e+00 2.84 -9.864905525e-01 2.86 -9.515643102e-01 2.88 -9.176857043e-01 2.90 -8.848387604e-01 2.92 -8.530062565e-01 2.94 -8.221699082e-01 2.96 -7.923105376e-01 2.98 -7.634082262e-01 3.00 -7.354424529e-01 3.02 -7.058040267e-01 3.04 -6.722438058e-01 3.06 -6.352688982e-01 3.08 -5.953727466e-01 3.10 -5.530383137e-01 3.12 -5.087416041e-01 3.14 -4.629558551e-01 3.16 -4.161569039e-01 3.18 -3.688304191e-01 3.20 -3.214818328e-01 3.22 -2.746498347e-01 3.24 -2.289239495e-01 3.26 -1.849655710e-01 3.28 -1.435290953e-01 3.30 -1.054745918e-01 3.32 -7.175561534e-02 3.34 -4.335885872e-02 3.36 -2.118545136e-02 3.38 -6.039442128e-03 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00