# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Lee-B-J-Shim-J-H--Cu-Ni # implementation = 2004--Lee-B-J--Cu-Ni--LAMMPS--ipr1 # composition = CuNi2 # 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 4.323111317e+02 0.80 4.030471012e+02 0.82 3.756549068e+02 0.84 3.500189239e+02 0.86 3.260304837e+02 0.88 3.035874643e+02 0.90 2.825939048e+02 0.92 2.629596416e+02 0.94 2.445999662e+02 0.96 2.274353026e+02 0.98 2.113909034e+02 1.00 1.963965635e+02 1.02 1.823863506e+02 1.04 1.692983510e+02 1.06 1.570744310e+02 1.08 1.456600110e+02 1.10 1.350038542e+02 1.12 1.250578662e+02 1.14 1.157769076e+02 1.16 1.071186166e+02 1.18 9.904324281e+01 1.20 9.151348997e+01 1.22 8.449436867e+01 1.24 7.795305730e+01 1.26 7.185877130e+01 1.28 6.618264015e+01 1.30 6.089759156e+01 1.32 5.597824263e+01 1.34 5.140079723e+01 1.36 4.714294974e+01 1.38 4.318379421e+01 1.40 3.950373921e+01 1.42 3.608442748e+01 1.44 3.290866053e+01 1.46 2.996032770e+01 1.48 2.722433943e+01 1.50 2.468656454e+01 1.52 2.233377125e+01 1.54 2.015357179e+01 1.56 1.813437021e+01 1.58 1.626531353e+01 1.60 1.453624561e+01 1.62 1.293766394e+01 1.64 1.146067903e+01 1.66 1.009697619e+01 1.68 8.838779710e+00 1.70 7.678819109e+00 1.72 6.610297544e+00 1.74 5.626862064e+00 1.76 4.722575715e+00 1.78 3.891891320e+00 1.80 3.129626894e+00 1.82 2.430942532e+00 1.84 1.791318741e+00 1.86 1.206536079e+00 1.88 6.726560723e-01 1.90 1.860032856e-01 1.92 -2.568514870e-01 1.94 -6.591069937e-01 1.96 -1.023746326e+00 1.98 -1.353550796e+00 2.00 -1.651112953e+00 2.02 -1.918848732e+00 2.04 -2.159009012e+00 2.06 -2.373690252e+00 2.08 -2.564844572e+00 2.10 -2.734289177e+00 2.12 -2.883715185e+00 2.14 -3.014695907e+00 2.16 -3.128694593e+00 2.18 -3.227071700e+00 2.20 -3.311091688e+00 2.22 -3.381929392e+00 2.24 -3.440675982e+00 2.26 -3.488344555e+00 2.28 -3.525875349e+00 2.30 -3.554140644e+00 2.32 -3.573949332e+00 2.34 -3.586051205e+00 2.36 -3.591140955e+00 2.38 -3.589861926e+00 2.40 -3.582809616e+00 2.42 -3.570534949e+00 2.44 -3.553547345e+00 2.46 -3.532317575e+00 2.48 -3.507280442e+00 2.50 -3.478837275e+00 2.52 -3.447358268e+00 2.54 -3.413184657e+00 2.56 -3.376630759e+00 2.58 -3.337985872e+00 2.60 -3.297516046e+00 2.62 -3.255465746e+00 2.64 -3.212059389e+00 2.66 -3.167502791e+00 2.68 -3.121984508e+00 2.70 -3.075677090e+00 2.72 -3.028738250e+00 2.74 -2.981311950e+00 2.76 -2.933529418e+00 2.78 -2.885510093e+00 2.80 -2.837362501e+00 2.82 -2.789185078e+00 2.84 -2.741066933e+00 2.86 -2.693088553e+00 2.88 -2.645322467e+00 2.90 -2.597833858e+00 2.92 -2.550681134e+00 2.94 -2.503916458e+00 2.96 -2.457586240e+00 2.98 -2.411731596e+00 3.00 -2.366388772e+00 3.02 -2.321589537e+00 3.04 -2.277361552e+00 3.06 -2.233728707e+00 3.08 -2.190711435e+00 3.10 -2.148327005e+00 3.12 -2.106589792e+00 3.14 -2.065511525e+00 3.16 -2.025101522e+00 3.18 -1.985366900e+00 3.20 -1.946312776e+00 3.22 -1.907942450e+00 3.24 -1.870257572e+00 3.26 -1.833258297e+00 3.28 -1.796943434e+00 3.30 -1.761310574e+00 3.32 -1.726356216e+00 3.34 -1.692075876e+00 3.36 -1.658464194e+00 3.38 -1.625514993e+00 3.40 -1.593039161e+00 3.42 -1.559524108e+00 3.44 -1.520485021e+00 3.46 -1.448857612e+00 3.48 -1.414417725e+00 3.50 -1.387047144e+00 3.52 -1.360059973e+00 3.54 -1.333453757e+00 3.56 -1.307226189e+00 3.58 -1.281375103e+00 3.60 -1.255898476e+00 3.62 -1.230794417e+00 3.64 -1.206061158e+00 3.66 -1.181697035e+00 3.68 -1.157700477e+00 3.70 -1.134069978e+00 3.72 -1.110804082e+00 3.74 -1.087901361e+00 3.76 -1.065360387e+00 3.78 -1.043179718e+00 3.80 -1.021357870e+00 3.82 -9.998933004e-01 3.84 -9.787843889e-01 3.86 -9.580294184e-01 3.88 -9.376265611e-01 3.90 -9.175738650e-01 3.92 -8.963049278e-01 3.94 -8.537493592e-01 3.96 -7.329055977e-01 3.98 -4.322589424e-01 4.00 -2.405865619e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 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