# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Cu2Pb # 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 2024-04-11 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 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 2.212882932e+02 1.16 2.046735632e+02 1.18 1.893680823e+02 1.20 1.752557186e+02 1.22 1.622310495e+02 1.24 1.501984923e+02 1.26 1.390727999e+02 1.28 1.287792218e+02 1.30 1.192519813e+02 1.32 1.104321136e+02 1.34 1.022652006e+02 1.36 9.469942108e+01 1.38 8.768507925e+01 1.40 8.117586691e+01 1.42 7.513035900e+01 1.44 6.951235989e+01 1.46 6.429094389e+01 1.48 5.944728510e+01 1.50 5.495681426e+01 1.52 5.079356503e+01 1.54 4.693265922e+01 1.56 4.335015315e+01 1.58 4.002331697e+01 1.60 3.693121970e+01 1.62 3.405533755e+01 1.64 3.137974071e+01 1.66 2.889074782e+01 1.68 2.657622774e+01 1.70 2.442490399e+01 1.72 2.242590736e+01 1.74 2.056868548e+01 1.76 1.884316393e+01 1.78 1.723992494e+01 1.80 1.575023744e+01 1.82 1.436599473e+01 1.84 1.307964343e+01 1.86 1.188415651e+01 1.88 1.077301891e+01 1.90 9.740194266e+00 1.92 8.780085483e+00 1.94 7.887531730e+00 1.96 7.057811823e+00 1.98 6.286650279e+00 2.00 5.570186937e+00 2.02 4.904911179e+00 2.04 4.287582617e+00 2.06 3.715166522e+00 2.08 3.184796786e+00 2.10 2.693757578e+00 2.12 2.239478356e+00 2.14 1.819521068e+00 2.16 1.431566912e+00 2.18 1.073403112e+00 2.20 7.429167908e-01 2.22 4.381018535e-01 2.24 1.570772255e-01 2.26 -1.018927625e-01 2.28 -3.403897622e-01 2.30 -5.598523350e-01 2.32 -7.616097479e-01 2.34 -9.469067509e-01 2.36 -1.116930187e+00 2.38 -1.272826371e+00 2.40 -1.416192623e+00 2.42 -1.547806913e+00 2.44 -1.668025234e+00 2.46 -1.777232059e+00 2.48 -1.875820314e+00 2.50 -1.964179319e+00 2.52 -2.042688855e+00 2.54 -2.111717939e+00 2.56 -2.171645039e+00 2.58 -2.222900692e+00 2.60 -2.265921895e+00 2.62 -2.301150135e+00 2.64 -2.329050196e+00 2.66 -2.350118080e+00 2.68 -2.364894064e+00 2.70 -2.373961374e+00 2.72 -2.377933863e+00 2.74 -2.377431475e+00 2.76 -2.373047847e+00 2.78 -2.365317472e+00 2.80 -2.354693839e+00 2.82 -2.341557796e+00 2.84 -2.326205977e+00 2.86 -2.308795434e+00 2.88 -2.289440680e+00 2.90 -2.268235278e+00 2.92 -2.245266955e+00 2.94 -2.220627700e+00 2.96 -2.194418969e+00 2.98 -2.166752665e+00 3.00 -2.137743287e+00 3.02 -2.107504813e+00 3.04 -2.076157985e+00 3.06 -2.043827781e+00 3.08 -2.010641029e+00 3.10 -1.976724693e+00 3.12 -1.942203520e+00 3.14 -1.907203109e+00 3.16 -1.871841139e+00 3.18 -1.836229895e+00 3.20 -1.800471817e+00 3.22 -1.764656173e+00 3.24 -1.728856219e+00 3.26 -1.693127612e+00 3.28 -1.657508587e+00 3.30 -1.622021974e+00 3.32 -1.586678673e+00 3.34 -1.551481884e+00 3.36 -1.516431289e+00 3.38 -1.481526556e+00 3.40 -1.446769466e+00 3.42 -1.412166412e+00 3.44 -1.377726568e+00 3.46 -1.343462673e+00 3.48 -1.309389535e+00 3.50 -1.275522746e+00 3.52 -1.241877502e+00 3.54 -1.208467718e+00 3.56 -1.175305578e+00 3.58 -1.142401598e+00 3.60 -1.109765200e+00 3.62 -1.077405778e+00 3.64 -1.045334164e+00 3.66 -1.013564386e+00 3.68 -9.821155216e-01 3.70 -9.510134689e-01 3.72 -9.202923970e-01 3.74 -8.899956452e-01 3.76 -8.601758626e-01 3.78 -8.308942211e-01 3.80 -8.022186048e-01 3.82 -7.742207843e-01 3.84 -7.469727167e-01 3.86 -7.205422677e-01 3.88 -6.949887921e-01 3.90 -6.703590981e-01 3.92 -6.466843102e-01 3.94 -6.239780202e-01 3.96 -6.022359074e-01 3.98 -5.814367613e-01 4.00 -5.615446349e-01 4.02 -5.425117264e-01 4.04 -5.242815628e-01 4.06 -5.067921163e-01 4.08 -4.899785896e-01 4.10 -4.737743734e-01 4.12 -4.581185339e-01 4.14 -4.429482256e-01 4.16 -4.282059532e-01 4.18 -4.138386361e-01 4.20 -3.997981919e-01 4.22 -3.860420644e-01 4.24 -3.725337631e-01 4.26 -3.592434441e-01 4.28 -3.461485281e-01 4.30 -3.332343117e-01 4.32 -3.204944960e-01 4.34 -3.079315233e-01 4.36 -2.955566035e-01 4.38 -2.833893109e-01 4.40 -2.714566665e-01 4.42 -2.597916714e-01 4.44 -2.484313347e-01 4.46 -2.374143196e-01 4.48 -2.267784060e-01 4.50 -2.165580117e-01 4.52 -2.067820190e-01 4.54 -1.974721160e-01 4.56 -1.886417862e-01 4.58 -1.802959822e-01 4.60 -1.724314392e-01 4.62 -1.650375217e-01 4.64 -1.580974210e-01 4.66 -1.515895296e-01 4.68 -1.454888612e-01 4.70 -1.397683867e-01 4.72 -1.343993484e-01 4.74 -1.293540417e-01 4.76 -1.246062367e-01 4.78 -1.201306471e-01 4.80 -1.159023972e-01 4.82 -1.119017449e-01 4.84 -1.081073116e-01 4.86 -1.045009196e-01 4.88 -1.010662664e-01 4.90 -9.778881258e-02 4.92 -9.465564222e-02 4.94 -9.165530910e-02 4.96 -8.877768158e-02 4.98 -8.601379229e-02 5.00 -8.335569721e-02 5.02 -8.079634646e-02 5.04 -7.832946789e-02 5.06 -7.594946332e-02 5.08 -7.365131719e-02 5.10 -7.143051654e-02 5.12 -6.928298142e-02 5.14 -6.720500462e-02 5.16 -6.519319965e-02 5.18 -6.324445583e-02 5.20 -6.135589978e-02 5.22 -5.952486219e-02 5.24 -5.774884926e-02 5.26 -5.602551817e-02 5.28 -5.435265585e-02 5.30 -5.272816067e-02 5.32 -5.115002662e-02 5.34 -4.961632955e-02 5.36 -4.812521521e-02 5.38 -4.667488882e-02 5.40 -4.526360606e-02 5.42 -4.388966510e-02 5.44 -4.255139987e-02 5.46 -4.124717416e-02 5.48 -3.997537673e-02 5.50 -3.873441730e-02 5.52 -3.752272352e-02 5.54 -3.633873880e-02 5.56 -3.518092132e-02 5.58 -3.404774406e-02 5.60 -3.293769624e-02 5.62 -3.184928612e-02 5.64 -3.078104521e-02 5.66 -2.973153456e-02 5.68 -2.869935293e-02 5.70 -2.768314704e-02 5.72 -2.668162426e-02 5.74 -2.569356755e-02 5.76 -2.471785297e-02 5.78 -2.375346945e-02 5.80 -2.279954073e-02 5.82 -2.185534901e-02 5.84 -2.092035965e-02 5.86 -1.999424605e-02 5.88 -1.907691361e-02 5.90 -1.816852129e-02 5.92 -1.726949916e-02 5.94 -1.638054504e-02 5.96 -1.550257426e-02 5.98 -1.463687559e-02 6.00 -1.378501974e-02