# 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 = PbW2 # 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 6.397054004e+02 1.16 5.920033751e+02 1.18 5.481900489e+02 1.20 5.079411552e+02 1.22 4.709411170e+02 1.24 4.368848456e+02 1.26 4.054873427e+02 1.28 3.764926206e+02 1.30 3.496762787e+02 1.32 3.248425886e+02 1.34 3.018201545e+02 1.36 2.804588217e+02 1.38 2.606275031e+02 1.40 2.422113734e+02 1.42 2.251077719e+02 1.44 2.092218849e+02 1.46 1.944638549e+02 1.48 1.807480032e+02 1.50 1.679935862e+02 1.52 1.561259813e+02 1.54 1.450773936e+02 1.56 1.347866741e+02 1.58 1.251984423e+02 1.60 1.162619131e+02 1.62 1.079298573e+02 1.64 1.001578750e+02 1.66 9.290405502e+01 1.68 8.612893409e+01 1.70 7.979571315e+01 1.72 7.387068107e+01 1.74 6.832454286e+01 1.76 6.313282615e+01 1.78 5.827386563e+01 1.80 5.372987685e+01 1.82 4.948607378e+01 1.84 4.553463818e+01 1.86 4.186928287e+01 1.88 3.847515928e+01 1.90 3.533650504e+01 1.92 3.243686496e+01 1.94 2.975951321e+01 1.96 2.728790373e+01 1.98 2.500604040e+01 2.00 2.289869967e+01 2.02 2.095151638e+01 2.04 1.915096999e+01 2.06 1.748432636e+01 2.08 1.593958657e+01 2.10 1.450547613e+01 2.12 1.317149937e+01 2.14 1.192803855e+01 2.16 1.076647471e+01 2.18 9.679282370e+00 2.20 8.660053980e+00 2.22 7.703444235e+00 2.24 6.805038814e+00 2.26 5.961178904e+00 2.28 5.168774800e+00 2.30 4.425137256e+00 2.32 3.728000229e+00 2.34 3.075138877e+00 2.36 2.464102261e+00 2.38 1.892571590e+00 2.40 1.358331473e+00 2.42 8.592608201e-01 2.44 3.933378124e-01 2.46 -4.133720380e-02 2.48 -4.461596611e-01 2.50 -8.219536708e-01 2.52 -1.169550760e+00 2.54 -1.489797297e+00 2.56 -1.783527606e+00 2.58 -2.051549506e+00 2.60 -2.294639459e+00 2.62 -2.513544139e+00 2.64 -2.708992426e+00 2.66 -2.881699583e+00 2.68 -3.032383724e+00 2.70 -3.161774823e+00 2.72 -3.270622304e+00 2.74 -3.359699457e+00 2.76 -3.429805391e+00 2.78 -3.481766045e+00 2.80 -3.516436723e+00 2.82 -3.534707235e+00 2.84 -3.537512127e+00 2.86 -3.525845171e+00 2.88 -3.500777075e+00 2.90 -3.463473353e+00 2.92 -3.415208156e+00 2.94 -3.357369247e+00 2.96 -3.291449742e+00 2.98 -3.219023760e+00 3.00 -3.141705809e+00 3.02 -3.061096865e+00 3.04 -2.978723161e+00 3.06 -2.895975601e+00 3.08 -2.814057929e+00 3.10 -2.733950169e+00 3.12 -2.656389218e+00 3.14 -2.581876292e+00 3.16 -2.510682760e+00 3.18 -2.442884650e+00 3.20 -2.378393085e+00 3.22 -2.316987920e+00 3.24 -2.258349896e+00 3.26 -2.202090142e+00 3.28 -2.147776920e+00 3.30 -2.095030107e+00 3.32 -2.043369638e+00 3.34 -1.992179432e+00 3.36 -1.940915331e+00 3.38 -1.889125116e+00 3.40 -1.836404660e+00 3.42 -1.782399408e+00 3.44 -1.726907296e+00 3.46 -1.669890735e+00 3.48 -1.611470324e+00 3.50 -1.551907979e+00 3.52 -1.491580264e+00 3.54 -1.430944475e+00 3.56 -1.370501104e+00 3.58 -1.310756781e+00 3.60 -1.252191437e+00 3.62 -1.195232476e+00 3.64 -1.140237405e+00 3.66 -1.087484994e+00 3.68 -1.037173967e+00 3.70 -9.894274716e-01 3.72 -9.443013621e-01 3.74 -9.017944433e-01 3.76 -8.618592021e-01 3.78 -8.244120469e-01 3.80 -7.893425257e-01 3.82 -7.565213408e-01 3.84 -7.258071829e-01 3.86 -6.970524860e-01 3.88 -6.701082067e-01 3.90 -6.448277035e-01 3.92 -6.210697681e-01 3.94 -5.987008593e-01 3.96 -5.775966055e-01 3.98 -5.576426645e-01 4.00 -5.387350281e-01 4.02 -5.207799315e-01 4.04 -5.036934441e-01 4.06 -4.874008292e-01 4.08 -4.718357948e-01 4.10 -4.569376773e-01 4.12 -4.426580056e-01 4.14 -4.289490469e-01 4.16 -4.157710379e-01 4.18 -4.030884706e-01 4.20 -3.908696844e-01 4.22 -3.790864385e-01 4.24 -3.677134995e-01 4.26 -3.567282597e-01 4.28 -3.461103947e-01 4.30 -3.358415611e-01 4.32 -3.259051324e-01 4.34 -3.162859714e-01 4.36 -3.069702332e-01 4.38 -2.979451976e-01 4.40 -2.891991246e-01 4.42 -2.807211316e-01 4.44 -2.725010887e-01 4.46 -2.645295290e-01 4.48 -2.567975721e-01 4.50 -2.492968586e-01 4.52 -2.420194944e-01 4.54 -2.349580028e-01 4.56 -2.281052828e-01 4.58 -2.214545737e-01 4.60 -2.149994247e-01 4.62 -2.087336677e-01 4.64 -2.026513944e-01 4.66 -1.967469358e-01 4.68 -1.910148447e-01 4.70 -1.854498794e-01 4.72 -1.800469905e-01 4.74 -1.748013080e-01 4.76 -1.697081307e-01 4.78 -1.647629157e-01 4.80 -1.599602094e-01 4.82 -1.552980519e-01 4.84 -1.507710672e-01 4.86 -1.463752702e-01 4.88 -1.421067960e-01 4.90 -1.379618946e-01 4.92 -1.339369251e-01 4.94 -1.300283513e-01 4.96 -1.262327363e-01 4.98 -1.225467387e-01 5.00 -1.189671080e-01 5.02 -1.154906804e-01 5.04 -1.121143748e-01 5.06 -1.088351891e-01 5.08 -1.056501965e-01 5.10 -1.025565413e-01 5.12 -9.955143570e-02 5.14 -9.663215608e-02 5.16 -9.379603930e-02 5.18 -9.104047919e-02 5.20 -8.836292299e-02 5.22 -8.576086779e-02 5.24 -8.323185693e-02 5.26 -8.077347649e-02 5.28 -7.838335165e-02 5.30 -7.605914319e-02 5.32 -7.379854390e-02 5.34 -7.159927509e-02 5.36 -6.945908313e-02 5.38 -6.737573606e-02 5.40 -6.534702037e-02 5.42 -6.337073794e-02 5.44 -6.144470319e-02 5.46 -5.956674065e-02 5.48 -5.773468282e-02 5.50 -5.594636871e-02 5.52 -5.419964295e-02 5.54 -5.249235585e-02 5.56 -5.082236441e-02 5.58 -4.918753464e-02 5.60 -4.758574546e-02 5.62 -4.601489424e-02 5.64 -4.447290442e-02 5.66 -4.295773559e-02 5.68 -4.146739627e-02 5.70 -3.999995962e-02 5.72 -3.855358236e-02 5.74 -3.712652707e-02 5.76 -3.571718792e-02 5.78 -3.432411971e-02 5.80 -3.294606998e-02 5.82 -3.158201342e-02 5.84 -3.023118789e-02 5.86 -2.889313060e-02 5.88 -2.756771290e-02 5.90 -2.625517161e-02 5.92 -2.495613453e-02 5.94 -2.367161861e-02 5.96 -2.240296816e-02 5.98 -2.115204862e-02 6.00 -1.992112907e-02