# 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 = AlNiO2 # 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 -1.906115638e+00 -1.906115638e+00 1.84 -2.323382961e+00 -2.323382961e+00 1.86 -2.697140043e+00 -2.697140043e+00 1.88 -3.039912946e+00 -3.039912946e+00 1.90 -3.384889376e+00 -3.384889376e+00 1.92 -3.724803425e+00 -3.724803425e+00 1.94 -4.047032813e+00 -4.047032813e+00 1.96 -4.339565034e+00 -4.339565034e+00 1.98 -4.592616670e+00 -4.592616670e+00 2.00 -4.799623787e+00 -4.799623787e+00 2.02 -4.957646278e+00 -4.957646278e+00 2.04 -5.067318288e+00 -5.067318288e+00 2.06 -5.134764002e+00 -5.134764002e+00 2.08 -5.183039474e+00 -5.183039474e+00 2.10 -5.224739248e+00 -5.224739248e+00 2.12 -5.267516053e+00 -5.267516053e+00 2.14 -5.304921356e+00 -5.304921356e+00 2.16 -5.330001257e+00 -5.330001257e+00 2.18 -5.337788910e+00 -5.337788910e+00 2.20 -5.326864475e+00 -5.326864475e+00 2.22 -5.299510554e+00 -5.299510554e+00 2.24 -5.260469188e+00 -5.260469188e+00 2.26 -5.214891407e+00 -5.214891407e+00 2.28 -5.165769531e+00 -5.165769531e+00 2.30 -5.112672667e+00 -5.112672667e+00 2.32 -5.055993698e+00 -5.055993698e+00 2.34 -4.996177618e+00 -4.996177618e+00 2.36 -4.933632495e+00 -4.933632495e+00 2.38 -4.868732266e+00 -4.868732266e+00 2.40 -4.801819338e+00 -4.801819338e+00 2.42 -4.671779589e+00 -4.671779589e+00 2.44 -4.425750351e+00 -4.425750351e+00 2.46 -4.085027972e+00 -4.085027972e+00 2.48 -3.679870990e+00 -3.679870990e+00 2.50 -3.245381554e+00 -3.245381554e+00 2.52 -2.816784051e+00 -2.816784051e+00 2.54 -2.424859171e+00 -2.424859171e+00 2.56 -2.092255394e+00 -2.092255394e+00 2.58 -1.831239213e+00 -1.831239213e+00 2.60 -1.643190426e+00 -1.643190426e+00 2.62 -1.519848291e+00 -1.519848291e+00 2.64 -1.446025706e+00 -1.446025706e+00 2.66 -1.398850629e+00 -1.398850629e+00 2.68 -1.354828983e+00 -1.354828983e+00 2.70 -1.300962489e+00 -1.300962489e+00 2.72 -1.235586014e+00 -1.235586014e+00 2.74 -1.163342499e+00 -1.163342499e+00 2.76 -1.086575614e+00 -1.086575614e+00 2.78 -1.008115157e+00 -1.008115157e+00 2.80 -9.310776131e-01 -9.310776131e-01 2.82 -8.586093351e-01 -8.586093351e-01 2.84 -7.936078867e-01 -7.936078867e-01 2.86 -7.384637107e-01 -7.384637107e-01 2.88 -6.948594592e-01 -6.948594592e-01 2.90 -6.636495686e-01 -6.636495686e-01 2.92 -6.397546924e-01 -6.397546924e-01 2.94 -6.166274312e-01 -6.166274312e-01 2.96 -5.942329032e-01 -5.942329032e-01 2.98 -5.725561696e-01 -5.725561696e-01 3.00 -5.515818396e-01 -5.515818396e-01 3.02 -5.293530200e-01 -5.293530200e-01 3.04 -5.041828544e-01 -5.041828544e-01 3.06 -4.764516736e-01 -4.764516736e-01 3.08 -4.465295600e-01 -4.465295600e-01 3.10 -4.147787353e-01 -4.147787353e-01 3.12 -3.815562031e-01 -3.815562031e-01 3.14 -3.472168913e-01 -3.472168913e-01 3.16 -3.121176779e-01 -3.121176779e-01 3.18 -2.766228143e-01 -2.766228143e-01 3.20 -2.411113746e-01 -2.411113746e-01 3.22 -2.059873760e-01 -2.059873760e-01 3.24 -1.716929621e-01 -1.716929621e-01 3.26 -1.387241782e-01 -1.387241782e-01 3.28 -1.076468214e-01 -1.076468214e-01 3.30 -7.910594388e-02 -7.910594388e-02 3.32 -5.381671151e-02 -5.381671151e-02 3.34 -3.251914404e-02 -3.251914404e-02 3.36 -1.588908852e-02 -1.588908852e-02 3.38 -4.529581596e-03 -4.529581596e-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