# 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 = BC2N # 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 1.780952857e+03 1.780952857e+03 0.60 1.578930751e+03 1.578930751e+03 0.62 1.413180580e+03 1.413180580e+03 0.64 1.262386213e+03 1.262386213e+03 0.66 1.122893067e+03 1.122893067e+03 0.68 1.002531149e+03 1.002531149e+03 0.70 8.975109924e+02 8.975109924e+02 0.72 8.067121753e+02 8.067121753e+02 0.74 7.258486590e+02 7.258486590e+02 0.76 6.451800199e+02 6.451800199e+02 0.78 5.705582272e+02 5.705582272e+02 0.80 5.096082806e+02 5.096082806e+02 0.82 4.611681169e+02 4.611681169e+02 0.84 4.183916451e+02 4.183916451e+02 0.86 3.793642495e+02 3.793642495e+02 0.88 3.448975423e+02 3.448975423e+02 0.90 3.144097244e+02 3.144097244e+02 0.92 2.867911674e+02 2.867911674e+02 0.94 2.612677801e+02 2.612677801e+02 0.96 2.371092002e+02 2.371092002e+02 0.98 2.133396537e+02 2.133396537e+02 1.00 1.893796391e+02 1.893796391e+02 1.02 1.656506733e+02 1.656506733e+02 1.04 1.442554573e+02 1.442554573e+02 1.06 1.280073812e+02 1.280073812e+02 1.08 1.157117486e+02 1.157117486e+02 1.10 1.053359530e+02 1.053359530e+02 1.12 9.592133461e+01 9.592133461e+01 1.14 8.700637180e+01 8.700637180e+01 1.16 7.796324028e+01 7.796324028e+01 1.18 6.840358223e+01 6.840358223e+01 1.20 5.807835683e+01 5.807835683e+01 1.22 4.836136647e+01 4.836136647e+01 1.24 4.105353447e+01 4.105353447e+01 1.26 3.592016610e+01 3.592016610e+01 1.28 3.188184067e+01 3.188184067e+01 1.30 2.830217797e+01 2.830217797e+01 1.32 2.504288962e+01 2.504288962e+01 1.34 2.207242649e+01 2.207242649e+01 1.36 1.936755513e+01 1.936755513e+01 1.38 1.690682850e+01 1.690682850e+01 1.40 1.467045160e+01 1.467045160e+01 1.42 1.264015728e+01 1.264015728e+01 1.44 1.079909113e+01 1.079909113e+01 1.46 9.131705040e+00 9.131705040e+00 1.48 7.623658598e+00 7.623658598e+00 1.50 6.261727885e+00 6.261727885e+00 1.52 5.033721036e+00 5.033721036e+00 1.54 3.928400103e+00 3.928400103e+00 1.56 2.935381857e+00 2.935381857e+00 1.58 2.038512456e+00 2.038512456e+00 1.60 1.232190376e+00 1.232190376e+00 1.62 4.361895625e-01 4.361895625e-01 1.64 -4.557641398e-01 -4.557641398e-01 1.66 -1.343559060e+00 -1.343559060e+00 1.68 -2.014482723e+00 -2.014482723e+00 1.70 -2.521066142e+00 -2.521066142e+00 1.72 -3.053314684e+00 -3.053314684e+00 1.74 -3.746899473e+00 -3.746899473e+00 1.76 -4.240415747e+00 -4.240415747e+00 1.78 -4.388976652e+00 -4.388976652e+00 1.80 -4.427626035e+00 -4.427626035e+00 1.82 -4.468341350e+00 -4.468341350e+00 1.84 -4.501009969e+00 -4.501009969e+00 1.86 -4.511839975e+00 -4.511839975e+00 1.88 -4.459544313e+00 -4.459544313e+00 1.90 -4.304590529e+00 -4.304590529e+00 1.92 -4.010713899e+00 -4.010713899e+00 1.94 -3.552259150e+00 -3.552259150e+00 1.96 -2.925364686e+00 -2.925364686e+00 1.98 -2.159161093e+00 -2.159161093e+00 2.00 -1.327874184e+00 -1.327874184e+00 2.02 -5.646210616e-01 -5.646210616e-01 2.04 -7.102924158e-02 -7.102924158e-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