# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Al-Co # implementation = 2015--Kim-Y-K--Ni-Al-Co--LAMMPS--ipr1 # composition = CoNi2 # 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 3.227156839e+02 0.86 3.013209815e+02 0.88 2.812605633e+02 0.90 2.624538121e+02 0.92 2.448248794e+02 0.94 2.283024080e+02 0.96 2.128192710e+02 0.98 1.983123246e+02 1.00 1.847221768e+02 1.02 1.719929673e+02 1.04 1.600721619e+02 1.06 1.489103580e+02 1.08 1.384611005e+02 1.10 1.286807101e+02 1.12 1.195281198e+02 1.14 1.109647219e+02 1.16 1.029542231e+02 1.18 9.546250883e+01 1.20 8.845751454e+01 1.22 8.190910509e+01 1.24 7.578896088e+01 1.26 7.007047054e+01 1.28 6.472862998e+01 1.30 5.973994730e+01 1.32 5.508235309e+01 1.34 5.073511616e+01 1.36 4.667876402e+01 1.38 4.289500809e+01 1.40 3.936667323e+01 1.42 3.607763144e+01 1.44 3.301273939e+01 1.46 3.015777964e+01 1.48 2.749940530e+01 1.50 2.502508792e+01 1.52 2.272306847e+01 1.54 2.058231122e+01 1.56 1.859246025e+01 1.58 1.674379861e+01 1.60 1.502720987e+01 1.62 1.343414190e+01 1.64 1.195657283e+01 1.66 1.058697905e+01 1.68 9.318304988e+00 1.70 8.143934855e+00 1.72 7.057665911e+00 1.74 6.053683404e+00 1.76 5.126536979e+00 1.78 4.271118491e+00 1.80 3.482641136e+00 1.82 2.756619840e+00 1.84 2.088852812e+00 1.86 1.475404196e+00 1.88 9.125877741e-01 1.90 3.969516375e-01 1.92 -7.473622082e-02 1.94 -5.055014446e-01 1.96 -8.981760390e-01 1.98 -1.255410332e+00 2.00 -1.579684210e+00 2.02 -1.873317676e+00 2.04 -2.138480773e+00 2.06 -2.377202902e+00 2.08 -2.591381574e+00 2.10 -2.782790639e+00 2.12 -2.953088006e+00 2.14 -3.103822898e+00 2.16 -3.236442663e+00 2.18 -3.352299172e+00 2.20 -3.452654822e+00 2.22 -3.538688175e+00 2.24 -3.611499261e+00 2.26 -3.672114513e+00 2.28 -3.721491462e+00 2.30 -3.760523115e+00 2.32 -3.790042040e+00 2.34 -3.810824232e+00 2.36 -3.823592725e+00 2.38 -3.829020981e+00 2.40 -3.827736078e+00 2.42 -3.820321686e+00 2.44 -3.807320869e+00 2.46 -3.789238711e+00 2.48 -3.766544773e+00 2.50 -3.739675401e+00 2.52 -3.709035891e+00 2.54 -3.675002512e+00 2.56 -3.637924408e+00 2.58 -3.598125380e+00 2.60 -3.555905550e+00 2.62 -3.511542930e+00 2.64 -3.465294879e+00 2.66 -3.417399484e+00 2.68 -3.368076834e+00 2.70 -3.317530232e+00 2.72 -3.265947316e+00 2.74 -3.213501120e+00 2.76 -3.160351048e+00 2.78 -3.106643805e+00 2.80 -3.052514275e+00 2.82 -2.998086312e+00 2.84 -2.943473503e+00 2.86 -2.888779876e+00 2.88 -2.834100566e+00 2.90 -2.779522426e+00 2.92 -2.725124615e+00 2.94 -2.670979133e+00 2.96 -2.617151330e+00 2.98 -2.563700378e+00 3.00 -2.510679714e+00 3.02 -2.458137450e+00 3.04 -2.406116760e+00 3.06 -2.354656243e+00 3.08 -2.303790253e+00 3.10 -2.253549217e+00 3.12 -2.203959929e+00 3.14 -2.155045817e+00 3.16 -2.106827205e+00 3.18 -2.059321546e+00 3.20 -2.012543647e+00 3.22 -1.966505871e+00 3.24 -1.921218334e+00 3.26 -1.876689082e+00 3.28 -1.832924260e+00 3.30 -1.789928266e+00 3.32 -1.747703894e+00 3.34 -1.706252473e+00 3.36 -1.665573991e+00 3.38 -1.625667208e+00 3.40 -1.586529770e+00 3.42 -1.548158305e+00 3.44 -1.510548521e+00 3.46 -1.473695288e+00 3.48 -1.437592721e+00 3.50 -1.402234258e+00 3.52 -1.367612722e+00 3.54 -1.333720392e+00 3.56 -1.300549060e+00 3.58 -1.268090085e+00 3.60 -1.236334446e+00 3.62 -1.205272788e+00 3.64 -1.174895467e+00 3.66 -1.145192587e+00 3.68 -1.116154040e+00 3.70 -1.087769542e+00 3.72 -1.060028658e+00 3.74 -1.032920837e+00 3.76 -1.006435438e+00 3.78 -9.805617497e-01 3.80 -9.552890195e-01 3.82 -9.305929294e-01 3.84 -9.052669038e-01 3.86 -8.727998218e-01 3.88 -8.191324694e-01 3.90 -7.705533168e-01 3.92 -7.506112012e-01 3.94 -7.311419449e-01 3.96 -7.121364724e-01 3.98 -6.935857536e-01 4.00 -6.754808136e-01 4.02 -6.578127415e-01 4.04 -6.405726989e-01 4.06 -6.237519269e-01 4.08 -6.073417530e-01 4.10 -5.913335968e-01 4.12 -5.757189758e-01 4.14 -5.604895093e-01 4.16 -5.456369236e-01 4.18 -5.311530546e-01 4.20 -5.170298520e-01 4.22 -5.032593812e-01 4.24 -4.898338263e-01 4.26 -4.767454916e-01 4.28 -4.639868037e-01 4.30 -4.515503123e-01 4.32 -4.394286917e-01 4.34 -4.276147412e-01 4.36 -4.161013856e-01 4.38 -4.048816758e-01 4.40 -3.939487886e-01 4.42 -3.826963937e-01 4.44 -3.634943245e-01 4.46 -3.141621412e-01 4.48 -1.900545872e-01 4.50 -2.865881279e-22 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