# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuPt2 # 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 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 1.183179040e+03 0.86 1.071348650e+03 0.88 9.707703039e+02 0.90 8.801983283e+02 0.92 7.985531014e+02 0.94 7.248797491e+02 0.96 6.583498901e+02 0.98 5.982198140e+02 1.00 5.438427309e+02 1.02 4.946342751e+02 1.04 4.500785953e+02 1.06 4.097183509e+02 1.08 3.731378467e+02 1.10 3.399699750e+02 1.12 3.098831028e+02 1.14 2.825783204e+02 1.16 2.577829189e+02 1.18 2.352579713e+02 1.20 2.147861036e+02 1.22 1.961704115e+02 1.24 1.792344713e+02 1.26 1.638169829e+02 1.28 1.497738776e+02 1.30 1.369731471e+02 1.32 1.252980158e+02 1.34 1.146421182e+02 1.36 1.049084547e+02 1.38 9.600913355e+01 1.40 8.786747444e+01 1.42 8.041159129e+01 1.44 7.357838697e+01 1.46 6.731061689e+01 1.48 6.155572951e+01 1.50 5.626615296e+01 1.52 5.139931203e+01 1.54 4.691659916e+01 1.56 4.278350822e+01 1.58 3.896869710e+01 1.60 3.544494000e+01 1.62 3.218678512e+01 1.64 2.917129052e+01 1.66 2.637784303e+01 1.68 2.379933820e+01 1.70 2.141922283e+01 1.72 1.922591484e+01 1.74 1.720476811e+01 1.76 1.534163553e+01 1.78 1.362388093e+01 1.80 1.204156730e+01 1.82 1.058475082e+01 1.84 9.222527165e+00 1.86 7.973248232e+00 1.88 6.810300353e+00 1.90 5.728266038e+00 1.92 4.722573229e+00 1.94 3.789011108e+00 1.96 2.923723641e+00 1.98 2.122917289e+00 2.00 1.383223383e+00 2.02 7.015652909e-01 2.04 7.490995766e-02 2.06 -4.997823771e-01 2.08 -1.025173886e+00 2.10 -1.504039111e+00 2.12 -1.939291548e+00 2.14 -2.333287592e+00 2.16 -2.688591415e+00 2.18 -3.007426241e+00 2.20 -3.291067293e+00 2.22 -3.542804130e+00 2.24 -3.764859817e+00 2.26 -3.959259446e+00 2.28 -4.127939520e+00 2.30 -4.272830418e+00 2.32 -4.395859938e+00 2.34 -4.497905281e+00 2.36 -4.580957416e+00 2.38 -4.646637096e+00 2.40 -4.696168619e+00 2.42 -4.730794073e+00 2.44 -4.752075172e+00 2.46 -4.761176590e+00 2.48 -4.759188776e+00 2.50 -4.747131058e+00 2.52 -4.725954687e+00 2.54 -4.696545959e+00 2.56 -4.659729370e+00 2.58 -4.616232252e+00 2.60 -4.568521384e+00 2.62 -4.515988353e+00 2.64 -4.458713615e+00 2.66 -4.397601374e+00 2.68 -4.333140920e+00 2.70 -4.265532974e+00 2.72 -4.193809270e+00 2.74 -4.119024828e+00 2.76 -4.042063779e+00 2.78 -3.963103643e+00 2.80 -3.883128882e+00 2.82 -3.802208322e+00 2.84 -3.720599657e+00 2.86 -3.638537576e+00 2.88 -3.556235449e+00 2.90 -3.473886911e+00 2.92 -3.391667316e+00 2.94 -3.309735106e+00 2.96 -3.228233106e+00 2.98 -3.147289702e+00 3.00 -3.067019949e+00 3.02 -2.987529278e+00 3.04 -2.909157781e+00 3.06 -2.832062244e+00 3.08 -2.755956015e+00 3.10 -2.680907785e+00 3.12 -2.606973729e+00 3.14 -2.534202429e+00 3.16 -2.462635176e+00 3.18 -2.392307660e+00 3.20 -2.323248900e+00 3.22 -2.255483224e+00 3.24 -2.189021224e+00 3.26 -2.124856147e+00 3.28 -2.062331723e+00 3.30 -2.001083367e+00 3.32 -1.941090740e+00 3.34 -1.882349253e+00 3.36 -1.824824720e+00 3.38 -1.768414470e+00 3.40 -1.713039494e+00 3.42 -1.658785926e+00 3.44 -1.605713176e+00 3.46 -1.553839217e+00 3.48 -1.503213166e+00 3.50 -1.453886028e+00 3.52 -1.405829018e+00 3.54 -1.359004794e+00 3.56 -1.313396709e+00 3.58 -1.268994707e+00 3.60 -1.225788123e+00 3.62 -1.183737419e+00 3.64 -1.142817205e+00 3.66 -1.103019481e+00 3.68 -1.064334020e+00 3.70 -1.026750023e+00 3.72 -9.901974390e-01 3.74 -9.545694611e-01 3.76 -9.199164793e-01 3.78 -8.862811771e-01 3.80 -8.536941285e-01 3.82 -8.221746373e-01 3.84 -7.917273471e-01 3.86 -7.623650118e-01 3.88 -7.341916047e-01 3.90 -7.070346524e-01 3.92 -6.807119361e-01 3.94 -6.550856763e-01 3.96 -6.300141798e-01 3.98 -6.054240643e-01 4.00 -5.812886396e-01 4.02 -5.575945758e-01 4.04 -5.343384377e-01 4.06 -5.115238768e-01 4.08 -4.891593778e-01 4.10 -4.672468972e-01 4.12 -4.457779847e-01 4.14 -4.247868285e-01 4.16 -4.043026283e-01 4.18 -3.843482907e-01 4.20 -3.649413024e-01 4.22 -3.460944718e-01 4.24 -3.278165615e-01 4.26 -3.101128290e-01 4.28 -2.929854970e-01 4.30 -2.764341525e-01 4.32 -2.604560993e-01 4.34 -2.450466416e-01 4.36 -2.301778019e-01 4.38 -2.158453067e-01 4.40 -2.020668131e-01 4.42 -1.888515971e-01 4.44 -1.762021221e-01 4.46 -1.641153600e-01 4.48 -1.525839064e-01 4.50 -1.415969156e-01 4.52 -1.311408833e-01 4.54 -1.212002988e-01 4.56 -1.117581864e-01 4.58 -1.027992291e-01 4.60 -9.486055448e-02 4.62 -8.786552889e-02 4.64 -8.122082404e-02 4.66 -7.491224525e-02 4.68 -6.892559554e-02 4.70 -6.324679625e-02 4.72 -5.786198323e-02 4.74 -5.275758281e-02 4.76 -4.792036874e-02 4.78 -4.333750600e-02 4.80 -3.899658228e-02 4.82 -3.488562950e-02 4.84 -3.099313713e-02 4.86 -2.730805867e-02 4.88 -2.381981361e-02 4.90 -2.051828390e-02 4.92 -1.739329151e-02 4.94 -1.438815536e-02 4.96 -1.238890648e-02 4.98 -1.129070246e-02 5.00 -1.022208138e-02 5.02 -9.215450605e-03 5.04 -8.267564016e-03 5.06 -7.375111116e-03 5.08 -6.534954554e-03 5.10 -5.744123251e-03 5.12 -4.999805380e-03 5.14 -4.299341315e-03 5.16 -3.640216609e-03 5.18 -3.020055082e-03 5.20 -2.436612039e-03 5.22 -1.887767665e-03 5.24 -1.371520633e-03 5.26 -8.859819501e-04 5.28 -4.296460944e-04 5.30 -6.698683971e-16 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