# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Byggmastar-J-Hodille-E-A-Ferro-Y-Nordlund-K--Be-O # implementation = 2018--Byggmastar-J--Be-O--LAMMPS--ipr1 # composition = BeO2 # 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 nan 0.56 nan 0.58 nan 0.60 nan 0.62 7.264147148e+02 0.64 6.418504503e+02 0.66 5.700482956e+02 0.68 5.085207753e+02 0.70 4.543485985e+02 0.72 4.070745775e+02 0.74 3.659596327e+02 0.76 3.298771515e+02 0.78 2.983530611e+02 0.80 2.708340726e+02 0.82 2.464652060e+02 0.84 2.244480455e+02 0.86 2.043824322e+02 0.88 1.863273176e+02 0.90 1.705126144e+02 0.92 1.562704425e+02 0.94 1.429713660e+02 0.96 1.305416159e+02 0.98 1.188335725e+02 1.00 1.079078079e+02 1.02 9.778429667e+01 1.04 8.853457898e+01 1.06 8.025352028e+01 1.08 7.299670963e+01 1.10 6.648044350e+01 1.12 6.060623750e+01 1.14 5.534359163e+01 1.16 5.063168769e+01 1.18 4.628631066e+01 1.20 4.218028335e+01 1.22 3.825036588e+01 1.24 3.443771842e+01 1.26 3.076749142e+01 1.28 2.724437976e+01 1.30 2.385451062e+01 1.32 2.057461800e+01 1.34 1.739531232e+01 1.36 1.436854579e+01 1.38 1.167419099e+01 1.40 9.627728000e+00 1.42 8.370576175e+00 1.44 7.309774437e+00 1.46 6.340119262e+00 1.48 5.443303079e+00 1.50 4.607283695e+00 1.52 3.836169545e+00 1.54 3.132925864e+00 1.56 2.498460270e+00 1.58 1.931267817e+00 1.60 1.427584261e+00 1.62 9.819072112e-01 1.64 5.876996111e-01 1.66 2.269420255e-01 1.68 -1.304455529e-01 1.70 -4.828753226e-01 1.72 -8.280981653e-01 1.74 -1.164843891e+00 1.76 -1.492858513e+00 1.78 -1.812892371e+00 1.80 -2.126614089e+00 1.82 -2.436400958e+00 1.84 -2.744912619e+00 1.86 -3.054285276e+00 1.88 -3.364697640e+00 1.90 -3.672029571e+00 1.92 -3.964600030e+00 1.94 -4.220029663e+00 1.96 -4.405454761e+00 1.98 -4.485898172e+00 2.00 -4.451187095e+00 2.02 -4.390788657e+00 2.04 -4.326901212e+00 2.06 -4.259983816e+00 2.08 -4.190458917e+00 2.10 -4.118714899e+00 2.12 -4.045108458e+00 2.14 -3.969966820e+00 2.16 -3.893589820e+00 2.18 -3.816251834e+00 2.20 -3.738203589e+00 2.22 -3.659673853e+00 2.24 -3.580871011e+00 2.26 -3.501984539e+00 2.28 -3.423186373e+00 2.30 -3.344632195e+00 2.32 -3.255343226e+00 2.34 -3.144992901e+00 2.36 -3.014732898e+00 2.38 -2.865791410e+00 2.40 -2.699517909e+00 2.42 -2.517425476e+00 2.44 -2.321231978e+00 2.46 -2.112902277e+00 2.48 -1.894694516e+00 2.50 -1.669214260e+00 2.52 -1.439480768e+00 2.54 -1.209009869e+00 2.56 -9.819175868e-01 2.58 -7.630471392e-01 2.60 -5.581159719e-01 2.62 -3.738557120e-01 2.64 -2.180398153e-01 2.66 -9.910802177e-02 2.68 -2.487004383e-02 2.70 9.667613396e-14 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