# 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 = Pb2W # 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 6.339336349e+02 1.16 5.899623610e+02 1.18 5.493533881e+02 1.20 5.118252180e+02 1.22 4.771082255e+02 1.24 4.449467096e+02 1.26 4.151059904e+02 1.28 3.873779209e+02 1.30 3.615818104e+02 1.32 3.375619714e+02 1.34 3.151840590e+02 1.36 2.943312360e+02 1.38 2.748998997e+02 1.40 2.567950994e+02 1.42 2.399265452e+02 1.44 2.242061885e+02 1.46 2.095478270e+02 1.48 1.958683116e+02 1.50 1.830893828e+02 1.52 1.711391719e+02 1.54 1.599529477e+02 1.56 1.494729632e+02 1.58 1.396477175e+02 1.60 1.304308921e+02 1.62 1.217803260e+02 1.64 1.136572193e+02 1.66 1.060262707e+02 1.68 9.885425429e+01 1.70 9.211042038e+01 1.72 8.576707855e+01 1.74 7.981352837e+01 1.76 7.423679336e+01 1.78 6.901702374e+01 1.80 6.413668898e+01 1.82 5.957963107e+01 1.84 5.533009543e+01 1.86 5.137198448e+01 1.88 4.768852626e+01 1.90 4.426234421e+01 1.92 4.107580531e+01 1.94 3.811151439e+01 1.96 3.535274566e+01 1.98 3.278375136e+01 2.00 3.038990683e+01 2.02 2.815772733e+01 2.04 2.607480063e+01 2.06 2.412968753e+01 2.08 2.231183093e+01 2.10 2.061148092e+01 2.12 1.901966385e+01 2.14 1.752816763e+01 2.16 1.612954322e+01 2.18 1.481710161e+01 2.20 1.358488378e+01 2.22 1.242760867e+01 2.24 1.134066243e+01 2.26 1.031992746e+01 2.28 9.361489102e+00 2.30 8.461808630e+00 2.32 7.617640059e+00 2.34 6.825964815e+00 2.36 6.083929722e+00 2.38 5.388810848e+00 2.40 4.738116850e+00 2.42 4.129650560e+00 2.44 3.561244801e+00 2.46 3.030765147e+00 2.48 2.536140995e+00 2.50 2.075388319e+00 2.52 1.646622316e+00 2.54 1.248060610e+00 2.56 8.780195230e-01 2.58 5.349063473e-01 2.60 2.172100943e-01 2.62 -7.650663489e-02 2.64 -3.476203342e-01 2.66 -5.974459347e-01 2.68 -8.272466541e-01 2.70 -1.038235158e+00 2.72 -1.231574258e+00 2.74 -1.408376143e+00 2.76 -1.569700677e+00 2.78 -1.716552981e+00 2.80 -1.849882804e+00 2.82 -1.970580664e+00 2.84 -2.079478327e+00 2.86 -2.177348010e+00 2.88 -2.264902746e+00 2.90 -2.342797525e+00 2.92 -2.411631261e+00 2.94 -2.471949590e+00 2.96 -2.524248538e+00 2.98 -2.568979019e+00 3.00 -2.606552077e+00 3.02 -2.637344665e+00 3.04 -2.661704901e+00 3.06 -2.679961325e+00 3.08 -2.692423181e+00 3.10 -2.699388797e+00 3.12 -2.701146735e+00 3.14 -2.697983448e+00 3.16 -2.690174148e+00 3.18 -2.677988087e+00 3.20 -2.661790313e+00 3.22 -2.641775387e+00 3.24 -2.618008129e+00 3.26 -2.590552661e+00 3.28 -2.559470258e+00 3.30 -2.524821765e+00 3.32 -2.486666369e+00 3.34 -2.445013352e+00 3.36 -2.399873253e+00 3.38 -2.351310449e+00 3.40 -2.299454964e+00 3.42 -2.244513220e+00 3.44 -2.186769327e+00 3.46 -2.126585062e+00 3.48 -2.064390757e+00 3.50 -2.000670498e+00 3.52 -1.935942413e+00 3.54 -1.870736105e+00 3.56 -1.805569708e+00 3.58 -1.740928974e+00 3.60 -1.677250415e+00 3.62 -1.614909735e+00 3.64 -1.554215917e+00 3.66 -1.495410526e+00 3.68 -1.438671172e+00 3.70 -1.384117745e+00 3.72 -1.331820045e+00 3.74 -1.281805616e+00 3.76 -1.234067029e+00 3.78 -1.188568230e+00 3.80 -1.145249973e+00 3.82 -1.104034513e+00 3.84 -1.064829861e+00 3.86 -1.027533752e+00 3.88 -9.920374239e-01 3.90 -9.582291405e-01 3.92 -9.259961128e-01 3.94 -8.952322752e-01 3.96 -8.658322738e-01 3.98 -8.376986002e-01 4.00 -8.107409694e-01 4.02 -7.848767110e-01 4.04 -7.600307701e-01 4.06 -7.361354245e-01 4.08 -7.131298138e-01 4.10 -6.909574697e-01 4.12 -6.695736018e-01 4.14 -6.489320247e-01 4.16 -6.289933012e-01 4.18 -6.097218729e-01 4.20 -5.910855604e-01 4.22 -5.730551189e-01 4.24 -5.556038483e-01 4.26 -5.387072551e-01 4.28 -5.223427599e-01 4.30 -5.064894467e-01 4.32 -4.911278480e-01 4.34 -4.762397612e-01 4.36 -4.618080921e-01 4.38 -4.478167207e-01 4.40 -4.342503866e-01 4.42 -4.210945914e-01 4.44 -4.083355139e-01 4.46 -3.959599374e-01 4.48 -3.839551869e-01 4.50 -3.723090740e-01 4.52 -3.610098493e-01 4.54 -3.500461594e-01 4.56 -3.394070097e-01 4.58 -3.290817304e-01 4.60 -3.190599466e-01 4.62 -3.093315503e-01 4.64 -2.998866761e-01 4.66 -2.907156775e-01 4.68 -2.818091070e-01 4.70 -2.731576968e-01 4.72 -2.647523421e-01 4.74 -2.565840865e-01 4.76 -2.486441095e-01 4.78 -2.409237173e-01 4.80 -2.334122612e-01 4.82 -2.261057672e-01 4.84 -2.189934398e-01 4.86 -2.120670814e-01 4.88 -2.053186355e-01 4.90 -1.987402084e-01 4.92 -1.923241017e-01 4.94 -1.860628537e-01 4.96 -1.799492917e-01 4.98 -1.739765963e-01 5.00 -1.681383772e-01 5.02 -1.624287600e-01 5.04 -1.568424833e-01 5.06 -1.513750023e-01 5.08 -1.460225924e-01 5.10 -1.407824495e-01 5.12 -1.356527779e-01 5.14 -1.306328563e-01 5.16 -1.257230704e-01 5.18 -1.209249043e-01 5.20 -1.162408789e-01 5.22 -1.116744340e-01 5.24 -1.072297503e-01 5.26 -1.029113940e-01 5.28 -9.872356721e-02 5.30 -9.467129273e-02 5.32 -9.075933017e-02 5.34 -8.699168437e-02 5.36 -8.337133780e-02 5.38 -7.990004199e-02 5.40 -7.657818154e-02 5.42 -7.340471705e-02 5.44 -7.037720505e-02 5.46 -6.749188671e-02 5.48 -6.474383157e-02 5.50 -6.212711997e-02 5.52 -5.963504711e-02 5.54 -5.726033316e-02 5.56 -5.499532621e-02 5.58 -5.283218853e-02 5.60 -5.076305990e-02 5.62 -4.878019493e-02 5.64 -4.687607433e-02 5.66 -4.504349147e-02 5.68 -4.327561750e-02 5.70 -4.156604859e-02 5.72 -3.990883927e-02 5.74 -3.829852556e-02 5.76 -3.673014142e-02 5.78 -3.519923115e-02 5.80 -3.370185996e-02 5.82 -3.223462408e-02 5.84 -3.079466092e-02 5.86 -2.937965935e-02 5.88 -2.798786918e-02 5.90 -2.661810835e-02 5.92 -2.526976591e-02 5.94 -2.394279844e-02 5.96 -2.263771725e-02 5.98 -2.135556373e-02 6.00 -2.009787111e-02