# 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 = Cu2Ni # 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 2.318296229e+02 0.82 2.186492107e+02 0.84 2.068357827e+02 0.86 1.960518069e+02 0.88 1.860605200e+02 0.90 1.766871307e+02 0.92 1.677905593e+02 0.94 1.592725729e+02 0.96 1.510572211e+02 0.98 1.431120324e+02 1.00 1.354072247e+02 1.02 1.279320343e+02 1.04 1.206839096e+02 1.06 1.136553707e+02 1.08 1.068618491e+02 1.10 1.003043855e+02 1.12 9.398983124e+01 1.14 8.791944695e+01 1.16 8.210172473e+01 1.18 7.654244567e+01 1.20 7.124556430e+01 1.22 6.620655453e+01 1.24 6.143268127e+01 1.26 5.691962515e+01 1.28 5.266321684e+01 1.30 4.865653273e+01 1.32 4.489060065e+01 1.34 4.136089743e+01 1.36 3.806044659e+01 1.38 3.497818035e+01 1.40 3.210794391e+01 1.42 2.943792296e+01 1.44 2.695708285e+01 1.46 2.465461838e+01 1.48 2.252326389e+01 1.50 2.055545582e+01 1.52 1.874137013e+01 1.54 1.707057260e+01 1.56 1.553534508e+01 1.58 1.409985569e+01 1.60 1.279032806e+01 1.62 1.152782139e+01 1.64 1.037509751e+01 1.66 9.290288278e+00 1.68 8.271102334e+00 1.70 7.315917836e+00 1.72 6.421127548e+00 1.74 5.585070658e+00 1.76 4.803603539e+00 1.78 4.074258183e+00 1.80 3.395710912e+00 1.82 2.765273931e+00 1.84 2.180354189e+00 1.86 1.638689830e+00 1.88 1.138175298e+00 1.90 6.758783372e-01 1.92 2.488583980e-01 1.94 -1.460614704e-01 1.96 -5.086761751e-01 1.98 -8.417233221e-01 2.00 -1.146555075e+00 2.02 -1.424508966e+00 2.04 -1.676653717e+00 2.06 -1.903945304e+00 2.08 -2.109404020e+00 2.10 -2.294604058e+00 2.12 -2.460664829e+00 2.14 -2.608719839e+00 2.16 -2.740324462e+00 2.18 -2.856442072e+00 2.20 -2.958062803e+00 2.22 -3.046194982e+00 2.24 -3.121789686e+00 2.26 -3.185625670e+00 2.28 -3.237814497e+00 2.30 -3.280088565e+00 2.32 -3.313178009e+00 2.34 -3.337778340e+00 2.36 -3.354543582e+00 2.38 -3.364088309e+00 2.40 -3.366989613e+00 2.42 -3.363789007e+00 2.44 -3.354994259e+00 2.46 -3.341081159e+00 2.48 -3.322665479e+00 2.50 -3.300482399e+00 2.52 -3.274862225e+00 2.54 -3.245915261e+00 2.56 -3.213739578e+00 2.58 -3.178480871e+00 2.60 -3.139323682e+00 2.62 -3.097620732e+00 2.64 -3.053923625e+00 2.66 -3.008479580e+00 2.68 -2.961508318e+00 2.70 -2.913213775e+00 2.72 -2.863785054e+00 2.74 -2.813397357e+00 2.76 -2.762212811e+00 2.78 -2.710381306e+00 2.80 -2.658041237e+00 2.82 -2.605320268e+00 2.84 -2.552335981e+00 2.86 -2.499196532e+00 2.88 -2.446001270e+00 2.90 -2.392841307e+00 2.92 -2.339800064e+00 2.94 -2.286962248e+00 2.96 -2.234848413e+00 2.98 -2.183031833e+00 3.00 -2.131577976e+00 3.02 -2.080541542e+00 3.04 -2.030619955e+00 3.06 -1.981999307e+00 3.08 -1.933871594e+00 3.10 -1.886299462e+00 3.12 -1.839226656e+00 3.14 -1.792607020e+00 3.16 -1.746283983e+00 3.18 -1.700314282e+00 3.20 -1.655022555e+00 3.22 -1.610501372e+00 3.24 -1.566711136e+00 3.26 -1.523654161e+00 3.28 -1.481341457e+00 3.30 -1.439812483e+00 3.32 -1.399061951e+00 3.34 -1.358970421e+00 3.36 -1.319492709e+00 3.38 -1.280732822e+00 3.40 -1.242775187e+00 3.42 -1.205608085e+00 3.44 -1.169205849e+00 3.46 -1.133567731e+00 3.48 -1.098698001e+00 3.50 -1.064590302e+00 3.52 -1.031220181e+00 3.54 -9.985895538e-01 3.56 -9.667043231e-01 3.58 -9.355660909e-01 3.60 -9.051146591e-01 3.62 -8.752836019e-01 3.64 -8.461391687e-01 3.66 -8.177244602e-01 3.68 -7.900731456e-01 3.70 -7.632115548e-01 3.72 -7.371591234e-01 3.74 -7.120188757e-01 3.76 -6.876768828e-01 3.78 -6.639588565e-01 3.80 -6.407407151e-01 3.82 -6.179371753e-01 3.84 -5.954932351e-01 3.86 -5.733092615e-01 3.88 -5.513336027e-01 3.90 -5.296129908e-01 3.92 -5.081933627e-01 3.94 -4.871035013e-01 3.96 -4.663273331e-01 3.98 -4.459796196e-01 4.00 -4.261702092e-01 4.02 -4.070645236e-01 4.04 -3.886394194e-01 4.06 -3.708069235e-01 4.08 -3.534972102e-01 4.10 -3.366555883e-01 4.12 -3.202398963e-01 4.14 -3.042182593e-01 4.16 -2.885671652e-01 4.18 -2.732698238e-01 4.20 -2.583147737e-01 4.22 -2.436947035e-01 4.24 -2.294054647e-01 4.26 -2.154128133e-01 4.28 -2.016874150e-01 4.30 -1.896036206e-01 4.32 -1.784402453e-01 4.34 -1.675970375e-01 4.36 -1.571038405e-01 4.38 -1.469817130e-01 4.40 -1.372444321e-01 4.42 -1.278997750e-01 4.44 -1.189506079e-01 4.46 -1.103958113e-01 4.48 -1.022310619e-01 4.50 -9.444949318e-02 4.52 -8.704225216e-02 4.54 -7.999896470e-02 4.56 -7.330812539e-02 4.58 -6.695742161e-02 4.60 -6.093400172e-02 4.62 -5.522469585e-02 4.64 -4.981619626e-02 4.66 -4.469520368e-02 4.68 -3.984854470e-02 4.70 -3.526326493e-02 4.72 -3.092670166e-02 4.74 -2.682653956e-02 4.76 -2.295085205e-02 4.78 -1.928813084e-02 4.80 -1.582730578e-02 4.82 -1.331020034e-02 4.84 -1.093088329e-02 4.86 -8.682123068e-03 4.88 -6.556998074e-03 4.90 -4.548897023e-03 4.92 -2.651516322e-03 4.94 -8.588550458e-04 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