# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kinaci-A-Haskins-J-B-Sevik-C-Cagin-T--B-N-C # implementation = 2012--Kinaci-A--B-N-C--LAMMPS--ipr1 # composition = B2CN # 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 2024-11-27 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 1.434203424e+03 1.434203424e+03 0.60 1.273868145e+03 1.273868145e+03 0.62 1.142021528e+03 1.142021528e+03 0.64 1.022932630e+03 1.022932630e+03 0.66 9.083922076e+02 9.083922076e+02 0.68 8.138537136e+02 8.138537136e+02 0.70 7.286196614e+02 7.286196614e+02 0.72 6.567438831e+02 6.567438831e+02 0.74 5.928012072e+02 5.928012072e+02 0.76 5.279733892e+02 5.279733892e+02 0.78 4.644182105e+02 4.644182105e+02 0.80 4.150255459e+02 4.150255459e+02 0.82 3.766726348e+02 3.766726348e+02 0.84 3.422042064e+02 3.422042064e+02 0.86 3.102873346e+02 3.102873346e+02 0.88 2.825574856e+02 2.825574856e+02 0.90 2.579738674e+02 2.579738674e+02 0.92 2.357904914e+02 2.357904914e+02 0.94 2.153779560e+02 2.153779560e+02 0.96 1.960092832e+02 1.960092832e+02 0.98 1.765623921e+02 1.765623921e+02 1.00 1.572406452e+02 1.572406452e+02 1.02 1.368411249e+02 1.368411249e+02 1.04 1.186446581e+02 1.186446581e+02 1.06 1.057999223e+02 1.057999223e+02 1.08 9.593193893e+01 9.593193893e+01 1.10 8.750003449e+01 8.750003449e+01 1.12 7.987276355e+01 7.987276355e+01 1.14 7.275853950e+01 7.275853950e+01 1.16 6.566070807e+01 6.566070807e+01 1.18 5.781143716e+01 5.781143716e+01 1.20 4.835099770e+01 4.835099770e+01 1.22 3.942866209e+01 3.942866209e+01 1.24 3.365437256e+01 3.365437256e+01 1.26 2.953051673e+01 2.953051673e+01 1.28 2.620153380e+01 2.620153380e+01 1.30 2.322184483e+01 2.322184483e+01 1.32 2.050555112e+01 2.050555112e+01 1.34 1.802830161e+01 1.802830161e+01 1.36 1.577111510e+01 1.577111510e+01 1.38 1.371644699e+01 1.371644699e+01 1.40 1.184808315e+01 1.184808315e+01 1.42 1.015104158e+01 1.015104158e+01 1.44 8.611481186e+00 8.611481186e+00 1.46 7.216617313e+00 7.216617313e+00 1.48 5.954643342e+00 5.954643342e+00 1.50 4.814658081e+00 4.814658081e+00 1.52 3.786598454e+00 3.786598454e+00 1.54 2.861177102e+00 2.861177102e+00 1.56 2.029824561e+00 2.029824561e+00 1.58 1.284635680e+00 1.284635680e+00 1.60 6.183199590e-01 6.183199590e-01 1.62 -6.733404116e-04 -6.733404116e-04 1.64 -6.005354031e-01 -6.005354031e-01 1.66 -1.273831681e+00 -1.273831681e+00 1.68 -2.256709750e+00 -2.256709750e+00 1.70 -3.420080278e+00 -3.420080278e+00 1.72 -4.418927085e+00 -4.418927085e+00 1.74 -4.822283117e+00 -4.822283117e+00 1.76 -4.998101992e+00 -4.998101992e+00 1.78 -5.068940581e+00 -5.068940581e+00 1.80 -5.095561284e+00 -5.095561284e+00 1.82 -5.109540559e+00 -5.109540559e+00 1.84 -5.110132837e+00 -5.110132837e+00 1.86 -5.094827699e+00 -5.094827699e+00 1.88 -5.053677140e+00 -5.053677140e+00 1.90 -4.967265319e+00 -4.967265319e+00 1.92 -4.661274955e+00 -4.661274955e+00 1.94 -3.938764054e+00 -3.938764054e+00 1.96 -2.799825139e+00 -2.799825139e+00 1.98 -1.473390124e+00 -1.473390124e+00 2.00 -5.962339096e-01 -5.962339096e-01 2.02 -2.553566315e-01 -2.553566315e-01 2.04 -3.229035468e-02 -3.229035468e-02 2.06 0.000000000e+00 0.000000000e+00 2.08 0.000000000e+00 0.000000000e+00 2.10 0.000000000e+00 0.000000000e+00 2.12 0.000000000e+00 0.000000000e+00 2.14 0.000000000e+00 0.000000000e+00 2.16 0.000000000e+00 0.000000000e+00 2.18 0.000000000e+00 0.000000000e+00 2.20 0.000000000e+00 0.000000000e+00 2.22 0.000000000e+00 0.000000000e+00 2.24 0.000000000e+00 0.000000000e+00 2.26 0.000000000e+00 0.000000000e+00 2.28 0.000000000e+00 0.000000000e+00 2.30 0.000000000e+00 0.000000000e+00 2.32 0.000000000e+00 0.000000000e+00 2.34 0.000000000e+00 0.000000000e+00 2.36 0.000000000e+00 0.000000000e+00 2.38 0.000000000e+00 0.000000000e+00 2.40 0.000000000e+00 0.000000000e+00 2.42 0.000000000e+00 0.000000000e+00 2.44 0.000000000e+00 0.000000000e+00 2.46 0.000000000e+00 0.000000000e+00 2.48 0.000000000e+00 0.000000000e+00 2.50 0.000000000e+00 0.000000000e+00 2.52 0.000000000e+00 0.000000000e+00 2.54 0.000000000e+00 0.000000000e+00 2.56 0.000000000e+00 0.000000000e+00 2.58 0.000000000e+00 0.000000000e+00 2.60 0.000000000e+00 0.000000000e+00 2.62 0.000000000e+00 0.000000000e+00 2.64 0.000000000e+00 0.000000000e+00 2.66 0.000000000e+00 0.000000000e+00 2.68 0.000000000e+00 0.000000000e+00 2.70 0.000000000e+00 0.000000000e+00 2.72 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 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