# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Oliveira-D-S-Kuritza-D-P-Zavarize-M-et-al--Ga-P # implementation = 2025--Oliveira-D-S--Ga-P--LAMMPS--ipr1 # composition = GaP2 # 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 2025-12-17 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 2.675816569e+02 0.94 2.474079550e+02 0.96 2.288083531e+02 0.98 2.116609873e+02 1.00 1.958753312e+02 1.02 1.812883377e+02 1.04 1.678228301e+02 1.06 1.554652361e+02 1.08 1.442037236e+02 1.10 1.339820475e+02 1.12 1.247201413e+02 1.14 1.162473311e+02 1.16 1.084340759e+02 1.18 1.012196992e+02 1.20 9.450101183e+01 1.22 8.816250770e+01 1.24 8.212637736e+01 1.26 7.636898307e+01 1.28 7.087714561e+01 1.30 6.564158990e+01 1.32 6.065311299e+01 1.34 5.589938198e+01 1.36 5.136103123e+01 1.38 4.703727541e+01 1.40 4.294346907e+01 1.42 3.910286172e+01 1.44 3.550204720e+01 1.46 3.212066164e+01 1.48 2.895363039e+01 1.50 2.600676891e+01 1.52 2.328697673e+01 1.54 2.079665731e+01 1.56 1.852549629e+01 1.58 1.645816824e+01 1.60 1.457622256e+01 1.62 1.286448545e+01 1.64 1.130699158e+01 1.66 9.891545086e+00 1.68 8.608001226e+00 1.70 7.441596419e+00 1.72 6.371914382e+00 1.74 5.377271525e+00 1.76 4.447153581e+00 1.78 3.576297421e+00 1.80 2.759003568e+00 1.82 1.987780419e+00 1.84 1.262495236e+00 1.86 5.869783712e-01 1.88 -3.496445465e-02 1.90 -6.001999827e-01 1.92 -1.106703517e+00 1.94 -1.554864188e+00 1.96 -1.948829665e+00 1.98 -2.295316408e+00 2.00 -2.599793479e+00 2.02 -2.862896546e+00 2.04 -3.085052262e+00 2.06 -3.267728822e+00 2.08 -3.414194464e+00 2.10 -3.530306298e+00 2.12 -3.623412069e+00 2.14 -3.699373169e+00 2.16 -3.762977963e+00 2.18 -3.818933169e+00 2.20 -3.869923698e+00 2.22 -3.916900525e+00 2.24 -3.958366708e+00 2.26 -3.992508100e+00 2.28 -4.018798449e+00 2.30 -4.037174196e+00 2.32 -4.048017595e+00 2.34 -4.052221119e+00 2.36 -4.050059018e+00 2.38 -4.043507762e+00 2.40 -4.033848511e+00 2.42 -4.021120624e+00 2.44 -4.005286536e+00 2.46 -4.001678680e+00 2.48 -4.016365544e+00 2.50 -4.033847464e+00 2.52 -4.042808849e+00 2.54 -4.035991406e+00 2.56 -4.013432186e+00 2.58 -3.980292447e+00 2.60 -3.941197882e+00 2.62 -3.900211450e+00 2.64 -3.859684239e+00 2.66 -3.819893861e+00 2.68 -3.780364567e+00 2.70 -3.740183179e+00 2.72 -3.698641187e+00 2.74 -3.655267787e+00 2.76 -3.609790766e+00 2.78 -3.562343421e+00 2.80 -3.514206556e+00 2.82 -3.466846382e+00 2.84 -3.421760774e+00 2.86 -3.377385049e+00 2.88 -3.329498258e+00 2.90 -3.276806657e+00 2.92 -3.220857036e+00 2.94 -3.163626866e+00 2.96 -3.107489140e+00 2.98 -3.051918374e+00 3.00 -2.994083639e+00 3.02 -2.939631935e+00 3.04 -2.893173321e+00 3.06 -2.850328745e+00 3.08 -2.804557849e+00 3.10 -2.752370829e+00 3.12 -2.690846601e+00 3.14 -2.619028061e+00 3.16 -2.550628539e+00 3.18 -2.490920950e+00 3.20 -2.441690068e+00 3.22 -2.400788980e+00 3.24 -2.365287954e+00 3.26 -2.332387823e+00 3.28 -2.299382612e+00 3.30 -2.263658573e+00 3.32 -2.223143979e+00 3.34 -2.178582859e+00 3.36 -2.131841212e+00 3.38 -2.084724543e+00 3.40 -2.038918314e+00 3.42 -1.995661978e+00 3.44 -1.955492624e+00 3.46 -1.918741112e+00 3.48 -1.885558637e+00 3.50 -1.856258825e+00 3.52 -1.831944900e+00 3.54 -1.814360738e+00 3.56 -1.805330435e+00 3.58 -1.803646656e+00 3.60 -1.805520768e+00 3.62 -1.807030917e+00 3.64 -1.804300067e+00 3.66 -1.793273745e+00 3.68 -1.771314031e+00 3.70 -1.748213572e+00 3.72 -1.726088748e+00 3.74 -1.704866762e+00 3.76 -1.684466751e+00 3.78 -1.664791333e+00 3.80 -1.645719372e+00 3.82 -1.627056980e+00 3.84 -1.608438089e+00 3.86 -1.589414127e+00 3.88 -1.569484234e+00 3.90 -1.548084244e+00 3.92 -1.524574481e+00 3.94 -1.498220050e+00 3.96 -1.468168547e+00 3.98 -1.433419690e+00 4.00 -1.392958107e+00 4.02 -1.346517191e+00 4.04 -1.294627085e+00 4.06 -1.238213937e+00 4.08 -1.178615206e+00 4.10 -1.117627658e+00 4.12 -1.057519058e+00 4.14 -1.000991662e+00 4.16 -9.510666251e-01 4.18 -9.097074008e-01 4.20 -8.769050834e-01 4.22 -8.518358793e-01 4.24 -8.326445511e-01 4.26 -8.171468984e-01 4.28 -8.030105746e-01 4.30 -7.878032825e-01 4.32 -7.689894164e-01 4.34 -7.441191510e-01 4.36 -7.129449060e-01 4.38 -6.765670193e-01 4.40 -6.361913911e-01 4.42 -5.933718274e-01 4.44 -5.503056586e-01 4.46 -5.094821054e-01 4.48 -4.736744571e-01 4.50 -4.459691283e-01 4.52 -4.287188338e-01 4.54 -4.213061536e-01 4.56 -4.225605466e-01 4.58 -4.315713095e-01 4.60 -4.478758157e-01 4.62 -4.713556176e-01 4.64 -5.015837441e-01 4.66 -5.376189985e-01 4.68 -5.776181945e-01 4.70 -6.197265837e-01 4.72 -6.621614436e-01 4.74 -7.015357714e-01 4.76 -7.329952073e-01 4.78 -7.507666331e-01 4.80 -7.490089354e-01 4.82 -7.252149114e-01 4.84 -6.834565175e-01 4.86 -6.298439289e-01 4.88 -5.708446754e-01 4.90 -5.125902901e-01 4.92 -4.608257469e-01 4.94 -4.199913496e-01 4.96 -3.933913414e-01 4.98 -3.839407801e-01 5.00 -3.949596310e-01 5.02 -4.287388778e-01 5.04 -4.828058839e-01 5.06 -5.514174749e-01 5.08 -6.285629315e-01 5.10 -7.079760204e-01 5.12 -7.829121424e-01 5.14 -8.459920158e-01 5.16 -8.892098803e-01 5.18 -9.041413112e-01 5.20 -8.843212750e-01 5.22 -8.403133933e-01 5.24 -7.800689869e-01 5.26 -7.098799180e-01 5.28 -6.355941152e-01 5.30 -5.620783701e-01 5.32 -4.929587990e-01 5.34 -4.306275708e-01 5.36 -3.764363334e-01 5.38 -3.310147128e-01 5.40 -2.946626753e-01 5.42 -2.668576476e-01 5.44 -2.462651377e-01 5.46 -2.320705293e-01 5.48 -2.237104134e-01 5.50 -2.207263911e-01 5.52 -2.226470528e-01 5.54 -2.288849802e-01 5.56 -2.386506668e-01 5.58 -2.508879343e-01 5.60 -2.642427210e-01 5.62 -2.772363334e-01 5.64 -2.884228688e-01 5.66 -2.962085809e-01 5.68 -2.989814837e-01 5.70 -2.953325673e-01 5.72 -2.843211184e-01 5.74 -2.657651374e-01 5.76 -2.405230444e-01 5.78 -2.107190371e-01 5.80 -1.798637984e-01 5.82 -1.532349540e-01 5.84 -1.361290493e-01 5.86 -1.309059068e-01 5.88 -1.368999306e-01 5.90 -1.511901317e-01 5.92 -1.697023979e-01 5.94 -1.882917843e-01 5.96 -2.035006108e-01 5.98 -2.128175053e-01 6.00 -2.148672263e-01