# 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 = B2N # 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 9.348526644e+02 0.56 8.278845416e+02 0.58 7.171748612e+02 0.60 6.370009748e+02 0.62 5.707604743e+02 0.64 5.131537932e+02 0.66 4.533080703e+02 0.68 4.079142391e+02 0.70 3.605352175e+02 0.72 3.245325743e+02 0.74 2.940608764e+02 0.76 2.628475509e+02 0.78 2.288678937e+02 0.80 2.039542842e+02 0.82 1.854566798e+02 0.84 1.679724649e+02 0.86 1.509320079e+02 0.88 1.373299908e+02 0.90 1.252565645e+02 0.92 1.144647019e+02 0.94 1.046482915e+02 0.96 9.546347515e+01 0.98 8.590226321e+01 1.00 7.697120580e+01 1.02 6.625248131e+01 1.04 5.646421728e+01 1.06 5.092010610e+01 1.08 4.607304137e+01 1.10 4.188684815e+01 1.12 3.815462427e+01 1.14 3.471634549e+01 1.16 3.155012879e+01 1.18 2.735958572e+01 1.20 1.999302443e+01 1.22 1.242719797e+01 1.24 1.005093389e+01 1.26 8.199833558e+00 1.28 6.637387450e+00 1.30 5.346211700e+00 1.32 4.187055885e+00 1.34 3.141638992e+00 1.36 2.200675975e+00 1.38 1.355583325e+00 1.40 5.984281015e-01 1.42 -7.811940575e-02 1.44 -6.808296509e-01 1.46 -1.215954673e+00 1.48 -1.689266023e+00 1.50 -2.106089990e+00 1.52 -2.471340304e+00 1.54 -2.789548501e+00 1.56 -3.064892118e+00 1.58 -3.301220861e+00 1.60 -3.502080897e+00 1.62 -3.670737400e+00 1.64 -3.810195475e+00 1.66 -4.040350574e+00 1.68 -4.657853628e+00 1.70 -5.643598402e+00 1.72 -6.707051237e+00 1.74 -6.883823570e+00 1.76 -6.742080458e+00 1.78 -6.589794356e+00 1.80 -6.442916973e+00 1.82 -6.310784451e+00 1.84 -6.183145683e+00 1.86 -6.051088300e+00 1.88 -5.915484990e+00 1.90 -5.777123885e+00 1.92 -5.250954780e+00 1.94 -4.024802900e+00 1.96 -2.343141725e+00 1.98 -7.274819944e-01 2.00 0.000000000e+00 2.02 0.000000000e+00 2.04 0.000000000e+00 2.06 0.000000000e+00 2.08 0.000000000e+00 2.10 0.000000000e+00 2.12 0.000000000e+00 2.14 0.000000000e+00 2.16 0.000000000e+00 2.18 0.000000000e+00 2.20 0.000000000e+00 2.22 0.000000000e+00 2.24 0.000000000e+00 2.26 0.000000000e+00 2.28 0.000000000e+00 2.30 0.000000000e+00 2.32 0.000000000e+00 2.34 0.000000000e+00 2.36 0.000000000e+00 2.38 0.000000000e+00 2.40 0.000000000e+00 2.42 0.000000000e+00 2.44 0.000000000e+00 2.46 0.000000000e+00 2.48 0.000000000e+00 2.50 0.000000000e+00 2.52 0.000000000e+00 2.54 0.000000000e+00 2.56 0.000000000e+00 2.58 0.000000000e+00 2.60 0.000000000e+00 2.62 0.000000000e+00 2.64 0.000000000e+00 2.66 0.000000000e+00 2.68 0.000000000e+00 2.70 0.000000000e+00 2.72 0.000000000e+00 2.74 0.000000000e+00 2.76 0.000000000e+00 2.78 0.000000000e+00 2.80 0.000000000e+00 2.82 0.000000000e+00 2.84 0.000000000e+00 2.86 0.000000000e+00 2.88 0.000000000e+00 2.90 0.000000000e+00 2.92 0.000000000e+00 2.94 0.000000000e+00 2.96 0.000000000e+00 2.98 0.000000000e+00 3.00 0.000000000e+00 3.02 0.000000000e+00 3.04 0.000000000e+00 3.06 0.000000000e+00 3.08 0.000000000e+00 3.10 0.000000000e+00 3.12 0.000000000e+00 3.14 0.000000000e+00 3.16 0.000000000e+00 3.18 0.000000000e+00 3.20 0.000000000e+00 3.22 0.000000000e+00 3.24 0.000000000e+00 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 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