# 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 = AlPb2 # 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 3.328349540e+02 1.16 3.098526460e+02 1.18 2.885857878e+02 1.20 2.688879744e+02 1.22 2.506273623e+02 1.24 2.336865981e+02 1.26 2.179592128e+02 1.28 2.033470149e+02 1.30 1.897598985e+02 1.32 1.771159965e+02 1.34 1.653406933e+02 1.36 1.543650753e+02 1.38 1.441251049e+02 1.40 1.345620642e+02 1.42 1.256234852e+02 1.44 1.172635113e+02 1.46 1.094423077e+02 1.48 1.021245534e+02 1.50 9.527744441e+01 1.52 8.886913324e+01 1.54 8.287313900e+01 1.56 7.727594017e+01 1.58 7.204893790e+01 1.60 6.716654654e+01 1.62 6.260467288e+01 1.64 5.834120718e+01 1.66 5.435658751e+01 1.68 5.063327460e+01 1.70 4.715500267e+01 1.72 4.390612147e+01 1.74 4.087128615e+01 1.76 3.803552906e+01 1.78 3.538450482e+01 1.80 3.290472414e+01 1.82 3.058371085e+01 1.84 2.841007488e+01 1.86 2.637348778e+01 1.88 2.446460919e+01 1.90 2.267497782e+01 1.92 2.099690242e+01 1.94 1.942339236e+01 1.96 1.794809084e+01 1.98 1.656519785e+01 2.00 1.526935971e+01 2.02 1.405554671e+01 2.04 1.291895321e+01 2.06 1.185495002e+01 2.08 1.085908870e+01 2.10 9.927124853e+00 2.12 9.055045331e+00 2.14 8.239076177e+00 2.16 7.475679238e+00 2.18 6.761544201e+00 2.20 6.093578951e+00 2.22 5.468904794e+00 2.24 4.884849625e+00 2.26 4.338937328e+00 2.28 3.828872989e+00 2.30 3.352523351e+00 2.32 2.907895612e+00 2.34 2.493122817e+00 2.36 2.106445300e+00 2.38 1.746199282e+00 2.40 1.410808992e+00 2.42 1.098783293e+00 2.44 8.087170907e-01 2.46 5.392944974e-01 2.48 2.892914851e-01 2.50 5.757449244e-02 2.52 -1.569072183e-01 2.54 -3.551358407e-01 2.56 -5.380440896e-01 2.58 -7.065350962e-01 2.60 -8.614979013e-01 2.62 -1.003813211e+00 2.64 -1.134540674e+00 2.66 -1.255160721e+00 2.68 -1.366263818e+00 2.70 -1.468335970e+00 2.72 -1.561836432e+00 2.74 -1.647190445e+00 2.76 -1.724789097e+00 2.78 -1.794992421e+00 2.80 -1.858136881e+00 2.82 -1.914535580e+00 2.84 -1.964492670e+00 2.86 -2.008303982e+00 2.88 -2.046248466e+00 2.90 -2.078590883e+00 2.92 -2.105586099e+00 2.94 -2.127485008e+00 2.96 -2.144542019e+00 2.98 -2.157023496e+00 3.00 -2.165215828e+00 3.02 -2.169440739e+00 3.04 -2.170106834e+00 3.06 -2.167537372e+00 3.08 -2.162049994e+00 3.10 -2.153975599e+00 3.12 -2.143638750e+00 3.14 -2.131345814e+00 3.16 -2.117368914e+00 3.18 -2.101944393e+00 3.20 -2.085271164e+00 3.22 -2.067510944e+00 3.24 -2.048782171e+00 3.26 -2.029173722e+00 3.28 -2.008756882e+00 3.30 -1.987589040e+00 3.32 -1.965717387e+00 3.34 -1.943182262e+00 3.36 -1.920019998e+00 3.38 -1.896265112e+00 3.40 -1.871951373e+00 3.42 -1.847114492e+00 3.44 -1.821789509e+00 3.46 -1.796012791e+00 3.48 -1.769821192e+00 3.50 -1.743251712e+00 3.52 -1.716341204e+00 3.54 -1.689126243e+00 3.56 -1.661643204e+00 3.58 -1.633928574e+00 3.60 -1.606019486e+00 3.62 -1.577954406e+00 3.64 -1.549773865e+00 3.66 -1.521521076e+00 3.68 -1.493242259e+00 3.70 -1.464986498e+00 3.72 -1.436805006e+00 3.74 -1.408749790e+00 3.76 -1.380871817e+00 3.78 -1.353218930e+00 3.80 -1.325833836e+00 3.82 -1.298752492e+00 3.84 -1.272003146e+00 3.86 -1.245606153e+00 3.88 -1.219574515e+00 3.90 -1.193915001e+00 3.92 -1.168628610e+00 3.94 -1.143716246e+00 3.96 -1.119173654e+00 3.98 -1.094997159e+00 4.00 -1.071183314e+00 4.02 -1.047729415e+00 4.04 -1.024633715e+00 4.06 -1.001895401e+00 4.08 -9.795143923e-01 4.10 -9.574896197e-01 4.12 -9.358246311e-01 4.14 -9.145179003e-01 4.16 -8.935691005e-01 4.18 -8.729771327e-01 4.20 -8.527399660e-01 4.22 -8.328545504e-01 4.24 -8.133167969e-01 4.26 -7.941216136e-01 4.28 -7.752629859e-01 4.30 -7.567340840e-01 4.32 -7.385273835e-01 4.34 -7.206347845e-01 4.36 -7.030477169e-01 4.38 -6.857572211e-01 4.40 -6.687539987e-01 4.42 -6.520284276e-01 4.44 -6.355705438e-01 4.46 -6.193699914e-01 4.48 -6.034159481e-01 4.50 -5.876970335e-01 4.52 -5.722012111e-01 4.54 -5.569156963e-01 4.56 -5.418268802e-01 4.58 -5.269202845e-01 4.60 -5.121805590e-01 4.62 -4.975915355e-01 4.64 -4.831363505e-01 4.66 -4.687976515e-01 4.68 -4.545578961e-01 4.70 -4.403997569e-01 4.72 -4.263066377e-01 4.74 -4.122633020e-01 4.76 -3.982566090e-01 4.78 -3.842763394e-01 4.80 -3.703141247e-01 4.82 -3.563724726e-01 4.84 -3.424529147e-01 4.86 -3.285655752e-01 4.88 -3.147273581e-01 4.90 -3.009621529e-01 4.92 -2.873006602e-01 4.94 -2.737797831e-01 4.96 -2.604415710e-01 4.98 -2.473317460e-01 5.00 -2.344978991e-01 5.02 -2.219874870e-01 5.04 -2.098457942e-01 5.06 -1.981140351e-01 5.08 -1.868277587e-01 5.10 -1.760156768e-01 5.12 -1.656989894e-01 5.14 -1.558912145e-01 5.16 -1.465984772e-01 5.18 -1.378201695e-01 5.20 -1.295498658e-01 5.22 -1.217763575e-01 5.24 -1.144847260e-01 5.26 -1.076573389e-01 5.28 -1.012747167e-01 5.30 -9.531622121e-02 5.32 -8.976058000e-02 5.34 -8.458625952e-02 5.36 -7.977171256e-02 5.38 -7.529548227e-02 5.40 -7.113510073e-02 5.42 -6.727003791e-02 5.44 -6.368064026e-02 5.46 -6.034735524e-02 5.48 -5.725092426e-02 5.50 -5.437255349e-02 5.52 -5.169406402e-02 5.54 -4.919802056e-02 5.56 -4.686783663e-02 5.58 -4.468785494e-02 5.60 -4.264340285e-02 5.62 -4.072082392e-02 5.64 -3.890748796e-02 5.66 -3.719178291e-02 5.68 -3.556309225e-02 5.70 -3.401176192e-02 5.72 -3.252906055e-02 5.74 -3.110713637e-02 5.76 -2.973897359e-02 5.78 -2.841835044e-02 5.80 -2.713980176e-02 5.82 -2.589858438e-02 5.84 -2.469064758e-02 5.86 -2.351260762e-02 5.88 -2.236172563e-02 5.90 -2.123588715e-02 5.92 -2.013358147e-02 5.94 -1.905387884e-02 5.96 -1.799640307e-02 5.98 -1.696129507e-02 6.00 -1.594917090e-02