# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Al # implementation = 2025--Sharifi-H--Cu-Co-Al--LAMMPS--ipr1 # composition = CoCu2 # 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 2025-07-01 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 8.214539338e+02 0.92 7.540385438e+02 0.94 6.906924356e+02 0.96 6.307996720e+02 0.98 5.746002015e+02 1.00 5.222047994e+02 1.02 4.736146139e+02 1.04 4.287537901e+02 1.06 3.874936200e+02 1.08 3.496703414e+02 1.10 3.150983085e+02 1.12 2.835796903e+02 1.14 2.549115655e+02 1.16 2.288910633e+02 1.18 2.053190497e+02 1.20 1.840027303e+02 1.22 1.647574414e+02 1.24 1.474078951e+02 1.26 1.317888375e+02 1.28 1.177453297e+02 1.30 1.051327517e+02 1.32 9.381664873e+01 1.34 8.367257616e+01 1.36 7.458582292e+01 1.38 6.645104077e+01 1.40 5.917181265e+01 1.42 5.266018041e+01 1.44 4.683614713e+01 1.46 4.162716824e+01 1.48 3.696764044e+01 1.50 3.279839600e+01 1.52 2.906620996e+01 1.54 2.572332281e+01 1.56 2.272698331e+01 1.58 2.003901314e+01 1.60 1.762538556e+01 1.62 1.545584659e+01 1.64 1.350356333e+01 1.66 1.174478754e+01 1.68 1.015854473e+01 1.70 8.726347571e+00 1.72 7.431932683e+00 1.74 6.261020518e+00 1.76 5.201096150e+00 1.78 4.241210357e+00 1.80 3.371795997e+00 1.82 2.584455892e+00 1.84 1.871789504e+00 1.86 1.227272832e+00 1.88 6.451047982e-01 1.90 1.200130109e-01 1.92 -3.528361739e-01 1.94 -7.778752034e-01 1.96 -1.159168746e+00 1.98 -1.500444683e+00 2.00 -1.805122036e+00 2.02 -2.076336705e+00 2.04 -2.316965056e+00 2.06 -2.529645464e+00 2.08 -2.716798051e+00 2.10 -2.880642791e+00 2.12 -3.023216062e+00 2.14 -3.146385830e+00 2.16 -3.251865569e+00 2.18 -3.341226998e+00 2.20 -3.415911779e+00 2.22 -3.477242247e+00 2.24 -3.526436953e+00 2.26 -3.564626280e+00 2.28 -3.592846376e+00 2.30 -3.612044883e+00 2.32 -3.623087802e+00 2.34 -3.626725404e+00 2.36 -3.623584129e+00 2.38 -3.614243066e+00 2.40 -3.599243297e+00 2.42 -3.579090195e+00 2.44 -3.554255571e+00 2.46 -3.525198388e+00 2.48 -3.493634148e+00 2.50 -3.461311079e+00 2.52 -3.421656521e+00 2.54 -3.379251550e+00 2.56 -3.334404854e+00 2.58 -3.289008467e+00 2.60 -3.256799163e+00 2.62 -3.216429884e+00 2.64 -3.163404966e+00 2.66 -3.109219961e+00 2.68 -3.054071383e+00 2.70 -2.998140992e+00 2.72 -2.941596711e+00 2.74 -2.884593498e+00 2.76 -2.827274165e+00 2.78 -2.769770146e+00 2.80 -2.712202224e+00 2.82 -2.654681213e+00 2.84 -2.597308595e+00 2.86 -2.540177134e+00 2.88 -2.483371432e+00 2.90 -2.426968476e+00 2.92 -2.371038129e+00 2.94 -2.315643612e+00 2.96 -2.260841942e+00 2.98 -2.206684354e+00 3.00 -2.153216694e+00 3.02 -2.100767152e+00 3.04 -2.052895584e+00 3.06 -2.010761381e+00 3.08 -1.960286999e+00 3.10 -1.910488047e+00 3.12 -1.861566624e+00 3.14 -1.813539800e+00 3.16 -1.766421669e+00 3.18 -1.720223571e+00 3.20 -1.674954297e+00 3.22 -1.630620284e+00 3.24 -1.587225798e+00 3.26 -1.544773103e+00 3.28 -1.503262621e+00 3.30 -1.462693081e+00 3.32 -1.423061660e+00 3.34 -1.384364113e+00 3.36 -1.346594894e+00 3.38 -1.309747273e+00 3.40 -1.273813439e+00 3.42 -1.238784601e+00 3.44 -1.204651083e+00 3.46 -1.171402405e+00 3.48 -1.139027368e+00 3.50 -1.107514125e+00 3.52 -1.076850253e+00 3.54 -1.047022815e+00 3.56 -1.018018422e+00 3.58 -9.898232849e-01 3.60 -9.624232672e-01 3.62 -9.358039318e-01 3.64 -9.099505833e-01 3.66 -8.848483083e-01 3.68 -8.604820113e-01 3.70 -8.368364480e-01 3.72 -8.138962554e-01 3.74 -7.916459797e-01 3.76 -7.700701007e-01 3.78 -7.491530551e-01 3.80 -7.288792559e-01 3.82 -7.092331115e-01 3.84 -6.901990415e-01 3.86 -6.717614914e-01 3.88 -6.539049453e-01 3.90 -6.366139375e-01 3.92 -6.198730624e-01 3.94 -6.036669835e-01 3.96 -5.879804410e-01 3.98 -5.727982587e-01 4.00 -5.581053503e-01 4.02 -5.438867248e-01 4.04 -5.301274917e-01 4.06 -5.168128659e-01 4.08 -5.039281723e-01 4.10 -4.914588510e-01 4.12 -4.793904620e-01 4.14 -4.677086913e-01 4.16 -4.563993567e-01 4.18 -4.454484151e-01 4.20 -4.348419705e-01 4.22 -4.245662834e-01 4.24 -4.146077809e-01 4.26 -4.049424247e-01 4.28 -3.953415861e-01 4.30 -3.844639776e-01 4.32 -3.639478440e-01 4.34 -3.479147130e-01 4.36 -3.390616509e-01 4.38 -3.304001666e-01 4.40 -3.219267756e-01 4.42 -3.136382834e-01 4.44 -3.055317512e-01 4.46 -2.976044611e-01 4.48 -2.898538810e-01 4.50 -2.822776312e-01 4.52 -2.748734513e-01 4.54 -2.676391692e-01 4.56 -2.605726724e-01 4.58 -2.536718810e-01 4.60 -2.469347244e-01 4.62 -2.403591201e-01 4.64 -2.339429559e-01 4.66 -2.276840755e-01 4.68 -2.215802666e-01 4.70 -2.156292526e-01 4.72 -2.098286868e-01 4.74 -2.041761496e-01 4.76 -1.986691481e-01 4.78 -1.933051182e-01 4.80 -1.880814280e-01 4.82 -1.829953835e-01 4.84 -1.780442356e-01 4.86 -1.732251880e-01 4.88 -1.685354054e-01 4.90 -1.639720234e-01 4.92 -1.592651872e-01 4.94 -1.510141188e-01 4.96 -1.295460666e-01 4.98 -7.692613070e-02 5.00 -5.091825762e-23 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