# 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 = AgPb2 # 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 4.397739909e+02 1.16 4.088478156e+02 1.18 3.802610049e+02 1.20 3.538124918e+02 1.22 3.293211085e+02 1.24 3.066244517e+02 1.26 2.855763327e+02 1.28 2.660441228e+02 1.30 2.479067170e+02 1.32 2.310530339e+02 1.34 2.153808437e+02 1.36 2.007960017e+02 1.38 1.872120899e+02 1.40 1.745504732e+02 1.42 1.627403992e+02 1.44 1.517185709e+02 1.46 1.414281324e+02 1.48 1.318174227e+02 1.50 1.228388371e+02 1.52 1.144479709e+02 1.54 1.066032290e+02 1.56 9.927185902e+01 1.58 9.243512447e+01 1.60 8.605937545e+01 1.62 8.011177520e+01 1.64 7.456233274e+01 1.66 6.938366969e+01 1.68 6.455069607e+01 1.70 6.004018612e+01 1.72 5.583038432e+01 1.74 5.190074789e+01 1.76 4.823187510e+01 1.78 4.480553401e+01 1.80 4.160470786e+01 1.82 3.861363627e+01 1.84 3.581782960e+01 1.86 3.320402350e+01 1.88 3.076009263e+01 1.90 2.847492305e+01 1.92 2.633827411e+01 1.94 2.434068179e+01 1.96 2.247336951e+01 1.98 2.072817283e+01 2.00 1.909745640e+01 2.02 1.757403462e+01 2.04 1.615111014e+01 2.06 1.482224630e+01 2.08 1.358137270e+01 2.10 1.242279742e+01 2.12 1.134121852e+01 2.14 1.033170994e+01 2.16 9.389693212e+00 2.18 8.510902873e+00 2.20 7.691352471e+00 2.22 6.927311621e+00 2.24 6.215289245e+00 2.26 5.552020526e+00 2.28 4.934453835e+00 2.30 4.359733942e+00 2.32 3.825180136e+00 2.34 3.328271504e+00 2.36 2.866624050e+00 2.38 2.437977405e+00 2.40 2.040186992e+00 2.42 1.671223201e+00 2.44 1.329177085e+00 2.46 1.012267576e+00 2.48 7.188469165e-01 2.50 4.474004003e-01 2.52 1.965391431e-01 2.54 -3.501326787e-02 2.56 -2.484378386e-01 2.58 -4.448379916e-01 2.60 -6.252553562e-01 2.62 -7.906807222e-01 2.64 -9.420631806e-01 2.66 -1.080306991e+00 2.68 -1.206272852e+00 2.70 -1.320773967e+00 2.72 -1.424573926e+00 2.74 -1.518386522e+00 2.76 -1.602877420e+00 2.78 -1.678666256e+00 2.80 -1.746372616e+00 2.82 -1.806609617e+00 2.84 -1.859791790e+00 2.86 -1.906306460e+00 2.88 -1.946525274e+00 2.90 -1.980804486e+00 2.92 -2.009486052e+00 2.94 -2.032899575e+00 2.96 -2.051389849e+00 2.98 -2.065344394e+00 3.00 -2.074998531e+00 3.02 -2.080593265e+00 3.04 -2.082386516e+00 3.06 -2.080654477e+00 3.08 -2.075678379e+00 3.10 -2.067743941e+00 3.12 -2.057132066e+00 3.14 -2.044105158e+00 3.16 -2.028890947e+00 3.18 -2.011706145e+00 3.20 -1.992754564e+00 3.22 -1.972225129e+00 3.24 -1.950290580e+00 3.26 -1.927106832e+00 3.28 -1.902813081e+00 3.30 -1.877532721e+00 3.32 -1.851374976e+00 3.34 -1.824436971e+00 3.36 -1.796805934e+00 3.38 -1.768561186e+00 3.40 -1.739775240e+00 3.42 -1.710517101e+00 3.44 -1.680849564e+00 3.46 -1.650832015e+00 3.48 -1.620519971e+00 3.50 -1.589965199e+00 3.52 -1.559215873e+00 3.54 -1.528316875e+00 3.56 -1.497310286e+00 3.58 -1.466236104e+00 3.60 -1.435133168e+00 3.62 -1.404040229e+00 3.64 -1.372997040e+00 3.66 -1.342045311e+00 3.68 -1.311229327e+00 3.70 -1.280596036e+00 3.72 -1.250194501e+00 3.74 -1.220074677e+00 3.76 -1.190285656e+00 3.78 -1.160873625e+00 3.80 -1.131879896e+00 3.82 -1.103339334e+00 3.84 -1.075279444e+00 3.86 -1.047720211e+00 3.88 -1.020674638e+00 3.90 -9.941498023e-01 3.92 -9.681470722e-01 3.94 -9.426680945e-01 3.96 -9.177087177e-01 3.98 -8.932650707e-01 4.00 -8.693328653e-01 4.02 -8.459077818e-01 4.04 -8.229856286e-01 4.06 -8.005623409e-01 4.08 -7.786338785e-01 4.10 -7.571947179e-01 4.12 -7.362433850e-01 4.14 -7.157733696e-01 4.16 -6.957793037e-01 4.18 -6.762552354e-01 4.20 -6.571946052e-01 4.22 -6.385902580e-01 4.24 -6.204344844e-01 4.26 -6.027190836e-01 4.28 -5.854354398e-01 4.30 -5.685746055e-01 4.32 -5.521273832e-01 4.34 -5.360844009e-01 4.36 -5.204361760e-01 4.38 -5.051731651e-01 4.40 -4.902857966e-01 4.42 -4.757644869e-01 4.44 -4.615996409e-01 4.46 -4.477816391e-01 4.48 -4.343008141e-01 4.50 -4.211474210e-01 4.52 -4.083116049e-01 4.54 -3.957833707e-01 4.56 -3.835525586e-01 4.58 -3.716088296e-01 4.60 -3.599416649e-01 4.62 -3.485403818e-01 4.64 -3.373941703e-01 4.66 -3.264921527e-01 4.68 -3.158234690e-01 4.70 -3.053773899e-01 4.72 -2.951434587e-01 4.74 -2.851116625e-01 4.76 -2.752726299e-01 4.78 -2.656178518e-01 4.80 -2.561378871e-01 4.82 -2.468310471e-01 4.84 -2.376904234e-01 4.86 -2.287132892e-01 4.88 -2.198988337e-01 4.90 -2.112482390e-01 4.92 -2.027646634e-01 4.94 -1.944531168e-01 4.96 -1.863202213e-01 4.98 -1.783738631e-01 5.00 -1.706227545e-01 5.02 -1.630759370e-01 5.04 -1.557422685e-01 5.06 -1.486299408e-01 5.08 -1.417460708e-01 5.10 -1.350963959e-01 5.12 -1.286851092e-01 5.14 -1.225148241e-01 5.16 -1.165866581e-01 5.18 -1.109004086e-01 5.20 -1.054547776e-01 5.22 -1.002476058e-01 5.24 -9.527608667e-02 5.26 -9.053692657e-02 5.28 -8.602643802e-02 5.30 -8.174056314e-02 5.32 -7.767453055e-02 5.34 -7.382245878e-02 5.36 -7.017938168e-02 5.38 -6.673961885e-02 5.40 -6.349658492e-02 5.42 -6.044280838e-02 5.44 -5.756999185e-02 5.46 -5.486911313e-02 5.48 -5.233056032e-02 5.50 -4.994429070e-02 5.52 -4.770000118e-02 5.54 -4.558729856e-02 5.56 -4.359585966e-02 5.58 -4.171557377e-02 5.60 -3.993666270e-02 5.62 -3.824977675e-02 5.64 -3.664606655e-02 5.66 -3.511723304e-02 5.68 -3.365555846e-02 5.70 -3.225392200e-02 5.72 -3.090580387e-02 5.74 -2.960528136e-02 5.76 -2.834701991e-02 5.78 -2.712626188e-02 5.80 -2.593881489e-02 5.82 -2.478104100e-02 5.84 -2.364984743e-02 5.86 -2.254267874e-02 5.88 -2.145750987e-02 5.90 -2.039283894e-02 5.92 -1.934767815e-02 5.94 -1.832154108e-02 5.96 -1.731442421e-02 5.98 -1.632678006e-02 6.00 -1.535948157e-02