# 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 = Al2NiO # 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 4.926460316e+00 4.926460316e+00 1.84 4.257559479e+00 4.257559479e+00 1.86 3.676594094e+00 3.676594094e+00 1.88 3.140494871e+00 3.140494871e+00 1.90 2.617866894e+00 2.617866894e+00 1.92 2.114669329e+00 2.114669329e+00 1.94 1.640903191e+00 1.640903191e+00 1.96 1.205517783e+00 1.205517783e+00 1.98 8.149633744e-01 8.149633744e-01 2.00 4.725265185e-01 4.725265185e-01 2.02 1.783942058e-01 1.783942058e-01 2.04 -6.979463245e-02 -6.979463245e-02 2.06 -2.777280601e-01 -2.777280601e-01 2.08 -4.616358556e-01 -4.616358556e-01 2.10 -6.457519711e-01 -6.457519711e-01 2.12 -8.517045323e-01 -8.517045323e-01 2.14 -1.062232397e+00 -1.062232397e+00 2.16 -1.258225846e+00 -1.258225846e+00 2.18 -1.424243586e+00 -1.424243586e+00 2.20 -1.552129316e+00 -1.552129316e+00 2.22 -1.641824873e+00 -1.641824873e+00 2.24 -1.699327992e+00 -1.699327992e+00 2.26 -1.732904008e+00 -1.732904008e+00 2.28 -1.751045885e+00 -1.751045885e+00 2.30 -1.761239537e+00 -1.761239537e+00 2.32 -1.764388204e+00 -1.764388204e+00 2.34 -1.761032029e+00 -1.761032029e+00 2.36 -1.751675907e+00 -1.751675907e+00 2.38 -1.736791806e+00 -1.736791806e+00 2.40 -1.716820932e+00 -1.716820932e+00 2.42 -1.715800281e+00 -1.715800281e+00 2.44 -1.756603647e+00 -1.756603647e+00 2.46 -1.834509983e+00 -1.834509983e+00 2.48 -1.940974378e+00 -1.940974378e+00 2.50 -2.064876307e+00 -2.064876307e+00 2.52 -2.194039920e+00 -2.194039920e+00 2.54 -2.316802749e+00 -2.316802749e+00 2.56 -2.423417630e+00 -2.423417630e+00 2.58 -2.507114824e+00 -2.507114824e+00 2.60 -2.564707898e+00 -2.564707898e+00 2.62 -2.596367904e+00 -2.596367904e+00 2.64 -2.605341173e+00 -2.605341173e+00 2.66 -2.597069328e+00 -2.597069328e+00 2.68 -2.577296884e+00 -2.577296884e+00 2.70 -2.549901283e+00 -2.549901283e+00 2.72 -2.518356672e+00 -2.518356672e+00 2.74 -2.485403517e+00 -2.485403517e+00 2.76 -2.451268007e+00 -2.451268007e+00 2.78 -2.416185054e+00 -2.416185054e+00 2.80 -2.380396377e+00 -2.380396377e+00 2.82 -2.344145161e+00 -2.344145161e+00 2.84 -2.307667262e+00 -2.307667262e+00 2.86 -2.271179341e+00 -2.271179341e+00 2.88 -2.234864473e+00 -2.234864473e+00 2.90 -2.198855213e+00 -2.198855213e+00 2.92 -2.163221511e+00 -2.163221511e+00 2.94 -2.128364889e+00 -2.128364889e+00 2.96 -2.090931150e+00 -2.090931150e+00 2.98 -2.038527790e+00 -2.038527790e+00 3.00 -1.971807697e+00 -1.971807697e+00 3.02 -1.892473343e+00 -1.892473343e+00 3.04 -1.802853620e+00 -1.802853620e+00 3.06 -1.703449909e+00 -1.703449909e+00 3.08 -1.582682882e+00 -1.582682882e+00 3.10 -1.442217979e+00 -1.442217979e+00 3.12 -1.287146374e+00 -1.287146374e+00 3.14 -1.123473844e+00 -1.123473844e+00 3.16 -9.579770072e-01 -9.579770072e-01 3.18 -7.978890001e-01 -7.978890001e-01 3.20 -6.504275854e-01 -6.504275854e-01 3.22 -5.159022533e-01 -5.159022533e-01 3.24 -3.866214665e-01 -3.866214665e-01 3.26 -2.681508867e-01 -2.681508867e-01 3.28 -1.662708271e-01 -1.662708271e-01 3.30 -8.598329244e-02 -8.598329244e-02 3.32 -3.101305270e-02 -3.101305270e-02 3.34 -3.411989723e-03 -3.411989723e-03 3.36 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 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