# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Smirnova-D--Cu-Ag-Co # implementation = 2026--Starikov-S--Cu-Ag-Co--LAMMPS--ipr1 # composition = Co2Cu # 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 2026-08-31 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 3.833603124e+03 0.86 3.413739327e+03 0.88 3.038209100e+03 0.90 2.703459781e+03 0.92 2.406299480e+03 0.94 2.143195026e+03 0.96 1.910388644e+03 0.98 1.704410141e+03 1.00 1.521992421e+03 1.02 1.359927712e+03 1.04 1.215706730e+03 1.06 1.086985376e+03 1.08 9.718584782e+02 1.10 8.689084625e+02 1.12 7.768546144e+02 1.14 6.945593815e+02 1.16 6.209979004e+02 1.18 5.552534458e+02 1.20 4.964828048e+02 1.22 4.439243828e+02 1.24 3.969175811e+02 1.26 3.548800678e+02 1.28 3.172936777e+02 1.30 2.836919608e+02 1.32 2.536420216e+02 1.34 2.267631562e+02 1.36 2.027247877e+02 1.38 1.812435120e+02 1.40 1.620707304e+02 1.42 1.448847520e+02 1.44 1.294873534e+02 1.46 1.156951672e+02 1.48 1.033493140e+02 1.50 9.230736540e+01 1.52 8.243529002e+01 1.54 7.360272833e+01 1.56 6.569541324e+01 1.58 5.861031743e+01 1.60 5.225987734e+01 1.62 4.662563145e+01 1.64 4.101896030e+01 1.66 3.571470244e+01 1.68 3.075055226e+01 1.70 2.616130133e+01 1.72 2.198106262e+01 1.74 1.824193780e+01 1.76 1.495984257e+01 1.78 1.210746107e+01 1.80 9.650044374e+00 1.82 7.556393511e+00 1.84 5.794124993e+00 1.86 4.332100235e+00 1.88 3.123608906e+00 1.90 2.148201144e+00 1.92 1.293490215e+00 1.94 6.085752302e-01 1.96 7.294217506e-02 1.98 -3.489294164e-01 2.00 -6.899436819e-01 2.02 -9.801307034e-01 2.04 -1.244871172e+00 2.06 -1.489588244e+00 2.08 -1.711682639e+00 2.10 -1.914496214e+00 2.12 -2.098910948e+00 2.14 -2.266204607e+00 2.16 -2.416748230e+00 2.18 -2.550285129e+00 2.20 -2.667491949e+00 2.22 -2.767026792e+00 2.24 -2.849267081e+00 2.26 -2.915561173e+00 2.28 -2.968172734e+00 2.30 -3.009609567e+00 2.32 -3.042193798e+00 2.34 -3.067819415e+00 2.36 -3.087794987e+00 2.38 -3.102699817e+00 2.40 -3.112029391e+00 2.42 -3.115115758e+00 2.44 -3.111807127e+00 2.46 -3.102184629e+00 2.48 -3.086837293e+00 2.50 -3.066478554e+00 2.52 -3.041141334e+00 2.54 -3.011120679e+00 2.56 -2.976989362e+00 2.58 -2.939299715e+00 2.60 -2.898477655e+00 2.62 -2.854778456e+00 2.64 -2.808350097e+00 2.66 -2.759327807e+00 2.68 -2.707997600e+00 2.70 -2.654898107e+00 2.72 -2.600682762e+00 2.74 -2.545849404e+00 2.76 -2.490857648e+00 2.78 -2.436171716e+00 2.80 -2.382328107e+00 2.82 -2.329817531e+00 2.84 -2.278465426e+00 2.86 -2.227909380e+00 2.88 -2.177860063e+00 2.90 -2.128042859e+00 2.92 -2.078189985e+00 2.94 -2.028010260e+00 2.96 -1.977172829e+00 2.98 -1.925569374e+00 3.00 -1.873299030e+00 3.02 -1.820443881e+00 3.04 -1.767055258e+00 3.06 -1.713121331e+00 3.08 -1.658538901e+00 3.10 -1.603279064e+00 3.12 -1.548039476e+00 3.14 -1.493642374e+00 3.16 -1.440329827e+00 3.18 -1.388337237e+00 3.20 -1.337922352e+00 3.22 -1.289294126e+00 3.24 -1.242594085e+00 3.26 -1.196999016e+00 3.28 -1.151750695e+00 3.30 -1.106819090e+00 3.32 -1.062164771e+00 3.34 -1.017758448e+00 3.36 -9.736049772e-01 3.38 -9.297436535e-01 3.40 -8.862545054e-01 3.42 -8.432621876e-01 3.44 -8.009492556e-01 3.46 -7.595518319e-01 3.48 -7.193751975e-01 3.50 -6.807688544e-01 3.52 -6.441011496e-01 3.54 -6.096839999e-01 3.56 -5.777779999e-01 3.58 -5.486069078e-01 3.60 -5.223554874e-01 3.62 -4.991389339e-01 3.64 -4.787167090e-01 3.66 -4.606428963e-01 3.68 -4.444707731e-01 3.70 -4.297587671e-01 3.72 -4.160770157e-01 3.74 -4.029940926e-01 3.76 -3.900972994e-01 3.78 -3.770288630e-01 3.80 -3.634941098e-01 3.82 -3.501726431e-01 3.84 -3.374966437e-01 3.86 -3.253744154e-01 3.88 -3.137359101e-01 3.90 -3.025173603e-01 3.92 -2.916524004e-01 3.94 -2.810763390e-01 3.96 -2.707429586e-01 3.98 -2.606090028e-01 4.00 -2.506223905e-01 4.02 -2.407232007e-01 4.04 -2.308702330e-01 4.06 -2.210987287e-01 4.08 -2.114583132e-01 4.10 -2.019953576e-01 4.12 -1.927537762e-01 4.14 -1.837749618e-01 4.16 -1.750983430e-01 4.18 -1.667613565e-01 4.20 -1.587969951e-01 4.22 -1.512359173e-01 4.24 -1.441077545e-01 4.26 -1.374423262e-01 4.28 -1.312840737e-01 4.30 -1.256877908e-01 4.32 -1.206824910e-01 4.34 -1.162700309e-01 4.36 -1.124273582e-01 4.38 -1.091070753e-01 4.40 -1.062602395e-01 4.42 -1.038377955e-01 4.44 -1.017931705e-01 4.46 -1.000805677e-01 4.48 -9.865399604e-02 4.50 -9.746728346e-02 4.52 -9.647407351e-02 4.54 -9.562623253e-02 4.56 -9.485556151e-02 4.58 -9.408965264e-02 4.60 -9.329556793e-02 4.62 -9.245021974e-02 4.64 -9.153050430e-02 4.66 -9.051627480e-02 4.68 -8.940162873e-02 4.70 -8.818460240e-02 4.72 -8.686329521e-02 4.74 -8.543579020e-02 4.76 -8.390023963e-02 4.78 -8.225485362e-02 4.80 -8.049780300e-02 4.82 -7.862893232e-02 4.84 -7.666493944e-02 4.86 -7.463400882e-02 4.88 -7.256654277e-02 4.90 -7.049296797e-02 4.92 -6.844341155e-02 4.94 -6.644790626e-02 4.96 -6.453652479e-02 4.98 -6.274150698e-02 5.00 -6.109850836e-02 5.02 -5.964345395e-02 5.04 -5.841230251e-02 5.06 -5.744088087e-02 5.08 -5.676505957e-02 5.10 -5.642181757e-02 5.12 -5.643715251e-02 5.14 -5.675742543e-02 5.16 -5.730967967e-02 5.18 -5.802246332e-02 5.20 -5.882457212e-02 5.22 -5.964476200e-02 5.24 -6.041189191e-02 5.26 -6.105478763e-02 5.28 -6.150291387e-02 5.30 -6.169103355e-02 5.32 -6.155708123e-02 5.34 -6.103925242e-02 5.36 -6.007582281e-02 5.38 -5.868971111e-02 5.40 -5.735967489e-02 5.42 -5.615505155e-02 5.44 -5.505808182e-02 5.46 -5.405111491e-02 5.48 -5.311640607e-02 5.50 -5.223585506e-02 5.52 -5.139119228e-02 5.54 -5.056461985e-02 5.56 -4.973899825e-02 5.58 -4.889721984e-02 5.60 -4.801922299e-02 5.62 -4.707748226e-02 5.64 -4.604300780e-02 5.66 -4.489037688e-02 5.68 -4.361685549e-02 5.70 -4.222829617e-02 5.72 -4.073043572e-02 5.74 -3.912888001e-02 5.76 -3.742919731e-02 5.78 -3.563692680e-02 5.80 -3.375757942e-02 5.82 -3.179682682e-02 5.84 -2.976042231e-02 5.86 -2.765430468e-02 5.88 -2.548450795e-02 5.90 -2.325817146e-02 5.92 -2.099926763e-02 5.94 -1.874436756e-02 5.96 -1.651966265e-02 5.98 -1.434752988e-02 6.00 -1.225014077e-02