# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Beland-L-K-Lu-C-Osetskiy-Y-N-et-al--Ni-Co # implementation = 2016--Beland-L-K--Ni-Co--LAMMPS--ipr2 # composition = Co2Ni # 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 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 8.832163153e+04 1.00 7.839162837e+04 1.02 6.921591705e+04 1.04 6.068646628e+04 1.06 5.272721389e+04 1.08 4.530096298e+04 1.10 3.838402726e+04 1.12 3.195841034e+04 1.14 2.601236809e+04 1.16 2.051876462e+04 1.18 1.544139773e+04 1.20 1.073250179e+04 1.22 6.386991379e+03 1.24 3.243652480e+03 1.26 1.334726104e+03 1.28 3.301803213e+02 1.30 -8.813239896e+01 1.32 -1.840662213e+02 1.34 -1.552400056e+02 1.36 -1.195426508e+02 1.38 -9.114381585e+01 1.40 -6.862546549e+01 1.42 -5.079730708e+01 1.44 -3.670045915e+01 1.46 -2.554839875e+01 1.48 -1.683558613e+01 1.50 -1.001451362e+01 1.52 -4.745183322e+00 1.54 -7.680229785e-01 1.56 2.167310893e+00 1.58 4.247747558e+00 1.60 5.630174092e+00 1.62 6.457944749e+00 1.64 6.846406305e+00 1.66 6.894194894e+00 1.68 6.679170645e+00 1.70 6.272011213e+00 1.72 5.724754858e+00 1.74 5.086053866e+00 1.76 4.443281016e+00 1.78 3.826498833e+00 1.80 3.241525186e+00 1.82 2.692205544e+00 1.84 2.173958153e+00 1.86 1.687966033e+00 1.88 1.229923151e+00 1.90 7.948046574e-01 1.92 3.780295322e-01 1.94 -2.489429551e-02 1.96 -4.185778744e-01 1.98 -8.068799047e-01 2.00 -1.193566990e+00 2.02 -1.560664523e+00 2.04 -1.890895207e+00 2.06 -2.188046131e+00 2.08 -2.455049848e+00 2.10 -2.694227867e+00 2.12 -2.906762918e+00 2.14 -3.094204279e+00 2.16 -3.257579262e+00 2.18 -3.397976227e+00 2.20 -3.516625270e+00 2.22 -3.614886661e+00 2.24 -3.694362847e+00 2.26 -3.756432636e+00 2.28 -3.803013613e+00 2.30 -3.835738555e+00 2.32 -3.856202565e+00 2.34 -3.865911804e+00 2.36 -3.866248418e+00 2.38 -3.858451371e+00 2.40 -3.843611925e+00 2.42 -3.822678563e+00 2.44 -3.796499709e+00 2.46 -3.765679686e+00 2.48 -3.730885602e+00 2.50 -3.692600029e+00 2.52 -3.651239315e+00 2.54 -3.607144612e+00 2.56 -3.560618493e+00 2.58 -3.511900946e+00 2.60 -3.461183671e+00 2.62 -3.408613682e+00 2.64 -3.354311973e+00 2.66 -3.298388464e+00 2.68 -3.240952723e+00 2.70 -3.182126046e+00 2.72 -3.122052195e+00 2.74 -3.060869555e+00 2.76 -2.998785146e+00 2.78 -2.935921151e+00 2.80 -2.872451169e+00 2.82 -2.808557344e+00 2.84 -2.744430199e+00 2.86 -2.680266151e+00 2.88 -2.616262499e+00 2.90 -2.552610126e+00 2.92 -2.489484445e+00 2.94 -2.427035487e+00 2.96 -2.365378115e+00 2.98 -2.304583333e+00 3.00 -2.244671364e+00 3.02 -2.185606767e+00 3.04 -2.127295403e+00 3.06 -2.069582519e+00 3.08 -2.012251415e+00 3.10 -1.955025132e+00 3.12 -1.897569853e+00 3.14 -1.839500482e+00 3.16 -1.780272204e+00 3.18 -1.719775677e+00 3.20 -1.657482597e+00 3.22 -1.593557590e+00 3.24 -1.528995623e+00 3.26 -1.465621447e+00 3.28 -1.405258046e+00 3.30 -1.348574327e+00 3.32 -1.295785273e+00 3.34 -1.245852196e+00 3.36 -1.198148458e+00 3.38 -1.152134049e+00 3.40 -1.107483554e+00 3.42 -1.064560656e+00 3.44 -1.025193425e+00 3.46 -9.920567527e-01 3.48 -9.657209279e-01 3.50 -9.445142615e-01 3.52 -9.266656811e-01 3.54 -9.110156475e-01 3.56 -8.968718236e-01 3.58 -8.838076495e-01 3.60 -8.715469905e-01 3.62 -8.599031188e-01 3.64 -8.487448305e-01 3.66 -8.379767186e-01 3.68 -8.275272774e-01 3.70 -8.173414690e-01 3.72 -8.073759437e-01 3.74 -7.975958943e-01 3.76 -7.879729229e-01 3.78 -7.784835677e-01 3.80 -7.691082618e-01 3.82 -7.598305760e-01 3.84 -7.506366600e-01 3.86 -7.415275405e-01 3.88 -7.324617058e-01 3.90 -7.234522281e-01 3.92 -7.144914631e-01 3.94 -7.055729133e-01 3.96 -6.966911771e-01 3.98 -6.878419001e-01 4.00 -6.790217223e-01 4.02 -6.702282248e-01 4.04 -6.614598736e-01 4.06 -6.527159636e-01 4.08 -6.439965590e-01 4.10 -6.353024316e-01 4.12 -6.266350002e-01 4.14 -6.179962660e-01 4.16 -6.093887480e-01 4.18 -6.008154187e-01 4.20 -5.922796366e-01 4.22 -5.837850811e-01 4.24 -5.753356859e-01 4.26 -5.669355727e-01 4.28 -5.585889864e-01 4.30 -5.503002306e-01 4.32 -5.420736043e-01 4.34 -5.339133401e-01 4.36 -5.258235457e-01 4.38 -5.178081448e-01 4.40 -5.098708233e-01 4.42 -5.020149768e-01 4.44 -4.942436628e-01 4.46 -4.865595542e-01 4.48 -4.789648986e-01 4.50 -4.714614810e-01 4.52 -4.640505905e-01 4.54 -4.567329922e-01 4.56 -4.495089043e-01 4.58 -4.423779790e-01 4.60 -4.353392901e-01 4.62 -4.283913252e-01 4.64 -4.215319875e-01 4.66 -4.147586027e-01 4.68 -4.080679329e-01 4.70 -4.014561956e-01 4.72 -3.949190877e-01 4.74 -3.884518174e-01 4.76 -3.820491403e-01 4.78 -3.757054083e-01 4.80 -3.694146153e-01 4.82 -3.631704604e-01 4.84 -3.569664020e-01 4.86 -3.507957276e-01 4.88 -3.446516313e-01 4.90 -3.385272896e-01 4.92 -3.324159485e-01 4.94 -3.263110051e-01 4.96 -3.202061298e-01 4.98 -3.140953212e-01 5.00 -3.079729637e-01 5.02 -3.018340228e-01 5.04 -2.956743857e-01 5.06 -2.894899941e-01 5.08 -2.832768335e-01 5.10 -2.770352181e-01 5.12 -2.707768733e-01 5.14 -2.644870853e-01 5.16 -2.581366728e-01 5.18 -2.517294984e-01 5.20 -2.453146975e-01 5.22 -2.389281492e-01 5.24 -2.325861017e-01 5.26 -2.262799813e-01 5.28 -2.200093479e-01 5.30 -2.137771847e-01 5.32 -2.075857335e-01 5.34 -2.014369833e-01 5.36 -1.953329103e-01 5.38 -1.892756763e-01 5.40 -1.832676664e-01 5.42 -1.773115051e-01 5.44 -1.714100814e-01 5.46 -1.655001743e-01 5.48 -1.597439752e-01 5.50 -1.540433052e-01 5.52 -1.484038323e-01 5.54 -1.428310457e-01 5.56 -1.373300721e-01 5.58 -1.319057177e-01 5.60 -1.265626221e-01 5.62 -1.213051115e-01 5.64 -1.161371337e-01 5.66 -1.110624928e-01 5.68 -1.060849736e-01 5.70 -1.012079063e-01 5.72 -9.643441938e-02 5.74 -9.176738113e-02 5.76 -8.721023738e-02 5.78 -8.276635499e-02 5.80 -7.843810961e-02 5.82 -7.422811449e-02 5.84 -7.013838782e-02 5.86 -6.617139721e-02 5.88 -6.232715515e-02 5.90 -5.862641073e-02 5.92 -5.507485049e-02 5.94 -5.160917865e-02 5.96 -4.822437432e-02 5.98 -4.497025570e-02 6.00 -4.188492830e-02