# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Pb # implementation = 2026--Park-J-H--Fe-Cu-Pb--LAMMPS--ipr1 # composition = FePb2 # 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 2026-06-16 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 7.860729858e+02 0.80 7.420920257e+02 0.82 7.004980377e+02 0.84 6.611639547e+02 0.86 6.239693616e+02 0.88 5.888001288e+02 0.90 5.555480347e+02 0.92 5.241103549e+02 0.94 4.943893891e+02 0.96 4.662919015e+02 0.98 4.397284695e+02 1.00 4.146127708e+02 1.02 3.908608811e+02 1.04 3.683906987e+02 1.06 3.471216325e+02 1.08 3.269746789e+02 1.10 3.078729661e+02 1.12 2.897427643e+02 1.14 2.725148631e+02 1.16 2.561261234e+02 1.18 2.405209426e+02 1.20 2.256523534e+02 1.22 2.114825106e+02 1.24 1.979824232e+02 1.26 1.851309214e+02 1.28 1.729129943e+02 1.30 1.613177432e+02 1.32 1.503362498e+02 1.34 1.399596401e+02 1.36 1.301775552e+02 1.38 1.209771369e+02 1.40 1.123425388e+02 1.42 1.042548929e+02 1.44 9.669262031e+01 1.46 8.963195886e+01 1.48 8.304759430e+01 1.50 7.691330350e+01 1.52 7.120254789e+01 1.54 6.588898115e+01 1.56 6.094685621e+01 1.58 5.635133126e+01 1.60 5.207868380e+01 1.62 4.810644602e+01 1.64 4.441347651e+01 1.66 4.097998268e+01 1.68 3.778750665e+01 1.70 3.481888524e+01 1.72 3.205819289e+01 1.74 2.949067400e+01 1.76 2.710266984e+01 1.78 2.488154352e+01 1.80 2.281560580e+01 1.82 2.089404323e+01 1.84 1.910684986e+01 1.86 1.744476303e+01 1.88 1.589920368e+01 1.90 1.446222109e+01 1.92 1.312644207e+01 1.94 1.188502432e+01 1.96 1.073161389e+01 1.98 9.660306169e+00 2.00 8.665610460e+00 2.02 7.742417573e+00 2.04 6.885970316e+00 2.06 6.091836579e+00 2.08 5.355884756e+00 2.10 4.674261314e+00 2.12 4.043370271e+00 2.14 3.459854425e+00 2.16 2.920578153e+00 2.18 2.422611635e+00 2.20 1.963216362e+00 2.22 1.539831809e+00 2.24 1.150063174e+00 2.26 7.916700627e-01 2.28 4.625560554e-01 2.30 1.607590608e-01 2.32 -1.155576047e-01 2.34 -3.681134812e-01 2.36 -5.985186252e-01 2.38 -8.082807189e-01 2.40 -9.988124794e-01 2.42 -1.171473331e+00 2.44 -1.327592145e+00 2.46 -1.468087155e+00 2.48 -1.594092862e+00 2.50 -1.706691745e+00 2.52 -1.806836268e+00 2.54 -1.895418259e+00 2.56 -1.973272693e+00 2.58 -2.041181214e+00 2.60 -2.099875442e+00 2.62 -2.150040063e+00 2.64 -2.192315728e+00 2.66 -2.227301764e+00 2.68 -2.255558719e+00 2.70 -2.277610750e+00 2.72 -2.293947856e+00 2.74 -2.305027982e+00 2.76 -2.311278990e+00 2.78 -2.313100504e+00 2.80 -2.310865653e+00 2.82 -2.304922700e+00 2.84 -2.295596576e+00 2.86 -2.283190317e+00 2.88 -2.267986420e+00 2.90 -2.250248112e+00 2.92 -2.230220548e+00 2.94 -2.208131930e+00 2.96 -2.184194564e+00 2.98 -2.158605853e+00 3.00 -2.131549230e+00 3.02 -2.103195031e+00 3.04 -2.073701324e+00 3.06 -2.043214678e+00 3.08 -2.011870897e+00 3.10 -1.979795700e+00 3.12 -1.947105365e+00 3.14 -1.913907334e+00 3.16 -1.880300784e+00 3.18 -1.846377154e+00 3.20 -1.812220653e+00 3.22 -1.777908729e+00 3.24 -1.743512511e+00 3.26 -1.709097225e+00 3.28 -1.674722587e+00 3.30 -1.640443167e+00 3.32 -1.606308734e+00 3.34 -1.572364580e+00 3.36 -1.538651826e+00 3.38 -1.505207286e+00 3.40 -1.469398667e+00 3.42 -1.406001311e+00 3.44 -1.259300546e+00 3.46 -1.033700546e+00 3.48 -9.951788468e-01 3.50 -9.713222482e-01 3.52 -9.478373804e-01 3.54 -9.247321664e-01 3.56 -9.020132423e-01 3.58 -8.796860537e-01 3.60 -8.577549459e-01 3.62 -8.362232481e-01 3.64 -8.150933527e-01 3.66 -7.943667895e-01 3.68 -7.740442948e-01 3.70 -7.541258761e-01 3.72 -7.346108734e-01 3.74 -7.154980152e-01 3.76 -6.967854721e-01 3.78 -6.784709057e-01 3.80 -6.605515154e-01 3.82 -6.430240813e-01 3.84 -6.258850043e-01 3.86 -6.091303438e-01 3.88 -5.927558527e-01 3.90 -5.767570097e-01 3.92 -5.607899356e-01 3.94 -5.400569609e-01 3.96 -4.925191682e-01 3.98 -3.330007838e-01 4.00 -3.343221568e-22 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