# 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 = AuPb2 # 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 5.205778094e+02 1.16 4.843706782e+02 1.18 4.508796291e+02 1.20 4.198754997e+02 1.22 3.911492653e+02 1.24 3.645113095e+02 1.26 3.397899051e+02 1.28 3.168289757e+02 1.30 2.954863164e+02 1.32 2.756322631e+02 1.34 2.571485684e+02 1.36 2.399275780e+02 1.38 2.238716278e+02 1.40 2.088922341e+02 1.42 1.949090013e+02 1.44 1.818486667e+02 1.46 1.696444624e+02 1.48 1.582354729e+02 1.50 1.475657528e+02 1.52 1.375833708e+02 1.54 1.282398135e+02 1.56 1.194898002e+02 1.58 1.112913123e+02 1.60 1.036108138e+02 1.62 9.642919957e+01 1.64 8.972940864e+01 1.66 8.348006081e+01 1.68 7.765015512e+01 1.70 7.221100334e+01 1.72 6.713589759e+01 1.74 6.239993399e+01 1.76 5.797996029e+01 1.78 5.385449119e+01 1.80 5.000353309e+01 1.82 4.640836630e+01 1.84 4.305143274e+01 1.86 3.991630213e+01 1.88 3.698770534e+01 1.90 3.425153655e+01 1.92 3.169480718e+01 1.94 2.930557206e+01 1.96 2.707284702e+01 1.98 2.498651416e+01 2.00 2.303721534e+01 2.02 2.121624560e+01 2.04 1.951545865e+01 2.06 1.792720075e+01 2.08 1.644427822e+01 2.10 1.505994293e+01 2.12 1.376788776e+01 2.14 1.256223412e+01 2.16 1.143750517e+01 2.18 1.038859013e+01 2.20 9.410702987e+00 2.22 8.499351715e+00 2.24 7.650316121e+00 2.26 6.859634200e+00 2.28 6.123593400e+00 2.30 5.438717295e+00 2.32 4.801752833e+00 2.34 4.209653217e+00 2.36 3.659559579e+00 2.38 3.148783953e+00 2.40 2.674795574e+00 2.42 2.235212072e+00 2.44 1.827795504e+00 2.46 1.450451626e+00 2.48 1.101229563e+00 2.50 7.783192378e-01 2.52 4.800447650e-01 2.54 2.048534560e-01 2.56 -4.869852700e-02 2.58 -2.819618078e-01 2.60 -4.962082494e-01 2.62 -6.926786614e-01 2.64 -8.725680333e-01 2.66 -1.036884713e+00 2.68 -1.186590738e+00 2.70 -1.322603515e+00 2.72 -1.445792988e+00 2.74 -1.556980762e+00 2.76 -1.656940877e+00 2.78 -1.746400932e+00 2.80 -1.826045922e+00 2.82 -1.896511212e+00 2.84 -1.958391255e+00 2.86 -2.012243975e+00 2.88 -2.058592898e+00 2.90 -2.097929825e+00 2.92 -2.130718228e+00 2.94 -2.157397397e+00 2.96 -2.178387156e+00 2.98 -2.194092724e+00 3.00 -2.204909110e+00 3.02 -2.211224225e+00 3.04 -2.213468435e+00 3.06 -2.212057640e+00 3.08 -2.207261513e+00 3.10 -2.199355295e+00 3.12 -2.188612910e+00 3.14 -2.175303458e+00 3.16 -2.159680799e+00 3.18 -2.141984394e+00 3.20 -2.122435109e+00 3.22 -2.101217950e+00 3.24 -2.078489127e+00 3.26 -2.054392798e+00 3.28 -2.029060625e+00 3.30 -2.002611937e+00 3.32 -1.975154710e+00 3.34 -1.946787104e+00 3.36 -1.917599212e+00 3.38 -1.887674700e+00 3.40 -1.857091654e+00 3.42 -1.825925441e+00 3.44 -1.794246117e+00 3.46 -1.762120834e+00 3.48 -1.729613305e+00 3.50 -1.696783805e+00 3.52 -1.663689247e+00 3.54 -1.630383403e+00 3.56 -1.596917347e+00 3.58 -1.563340127e+00 3.60 -1.529699662e+00 3.62 -1.496043775e+00 3.64 -1.462421271e+00 3.66 -1.428882859e+00 3.68 -1.395481744e+00 3.70 -1.362273690e+00 3.72 -1.329316415e+00 3.74 -1.296668307e+00 3.76 -1.264386574e+00 3.78 -1.232525081e+00 3.80 -1.201132226e+00 3.82 -1.170249203e+00 3.84 -1.139908919e+00 3.86 -1.110135696e+00 3.88 -1.080945706e+00 3.90 -1.052347988e+00 3.92 -1.024344729e+00 3.94 -9.969372046e-01 3.96 -9.701200660e-01 3.98 -9.438874379e-01 4.00 -9.182324505e-01 4.02 -8.931478083e-01 4.04 -8.686261145e-01 4.06 -8.446600055e-01 4.08 -8.212421570e-01 4.10 -7.983638563e-01 4.12 -7.760205686e-01 4.14 -7.542029069e-01 4.16 -7.329028064e-01 4.18 -7.121118035e-01 4.20 -6.918210075e-01 4.22 -6.720211032e-01 4.24 -6.527023815e-01 4.26 -6.338547908e-01 4.28 -6.154680029e-01 4.30 -5.975314855e-01 4.32 -5.800345736e-01 4.34 -5.629665349e-01 4.36 -5.463166218e-01 4.38 -5.300741096e-01 4.40 -5.142283154e-01 4.42 -4.987686010e-01 4.44 -4.836843583e-01 4.46 -4.689649825e-01 4.48 -4.545998349e-01 4.50 -4.405782020e-01 4.52 -4.268892544e-01 4.54 -4.135220119e-01 4.56 -4.004653194e-01 4.58 -3.877078382e-01 4.60 -3.752380578e-01 4.62 -3.630443326e-01 4.64 -3.511149462e-01 4.66 -3.394382072e-01 4.68 -3.280025790e-01 4.70 -3.167968447e-01 4.72 -3.058103073e-01 4.74 -2.950330226e-01 4.76 -2.844560588e-01 4.78 -2.740717759e-01 4.80 -2.638720857e-01 4.82 -2.538571351e-01 4.84 -2.440223894e-01 4.86 -2.343679698e-01 4.88 -2.248963331e-01 4.90 -2.156122409e-01 4.92 -2.065225971e-01 4.94 -1.976361434e-01 4.96 -1.889630193e-01 4.98 -1.805142088e-01 5.00 -1.723009127e-01 5.02 -1.643338971e-01 5.04 -1.566228778e-01 5.06 -1.491759964e-01 5.08 -1.419994381e-01 5.10 -1.350972100e-01 5.12 -1.284711045e-01 5.14 -1.221208273e-01 5.16 -1.160442536e-01 5.18 -1.102377717e-01 5.20 -1.046966595e-01 5.22 -9.941544037e-02 5.24 -9.438819001e-02 5.26 -8.960875914e-02 5.28 -8.507090151e-02 5.30 -8.076830972e-02 5.32 -7.669432854e-02 5.34 -7.284134323e-02 5.36 -6.920295781e-02 5.38 -6.577235362e-02 5.40 -6.254199933e-02 5.42 -5.950364528e-02 5.44 -5.664835968e-02 5.46 -5.396660741e-02 5.48 -5.144836510e-02 5.50 -4.908326252e-02 5.52 -4.686073801e-02 5.54 -4.477019613e-02 5.56 -4.280115712e-02 5.58 -4.094339064e-02 5.60 -3.918702864e-02 5.62 -3.752265537e-02 5.64 -3.594137445e-02 5.66 -3.443485488e-02 5.68 -3.299535871e-02 5.70 -3.161575407e-02 5.72 -3.028951696e-02 5.74 -2.901072531e-02 5.76 -2.777404845e-02 5.78 -2.657473436e-02 5.80 -2.540859665e-02 5.82 -2.427200258e-02 5.84 -2.316186260e-02 5.86 -2.207562156e-02 5.88 -2.101125072e-02 5.90 -1.996723982e-02 5.92 -1.894258723e-02 5.94 -1.793678673e-02 5.96 -1.694980865e-02 5.98 -1.598207317e-02 6.00 -1.503441476e-02