# 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 = Co2Pb # 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 2.784584153e+02 1.16 2.573262096e+02 1.18 2.378783813e+02 1.20 2.199627873e+02 1.22 2.034454114e+02 1.24 1.882073327e+02 1.26 1.741410978e+02 1.28 1.611485826e+02 1.30 1.491400709e+02 1.32 1.380337711e+02 1.34 1.277552433e+02 1.36 1.182364498e+02 1.38 1.094149823e+02 1.40 1.012340995e+02 1.42 9.364291836e+01 1.44 8.659600736e+01 1.46 8.005253633e+01 1.48 7.397529609e+01 1.50 6.832971609e+01 1.52 6.308438672e+01 1.54 5.821384168e+01 1.56 5.369811300e+01 1.58 4.951035849e+01 1.60 4.562563077e+01 1.62 4.202126798e+01 1.64 3.867670723e+01 1.66 3.557329072e+01 1.68 3.269394970e+01 1.70 3.002281720e+01 1.72 2.754491022e+01 1.74 2.524598809e+01 1.76 2.311257498e+01 1.78 2.113209317e+01 1.80 1.929302535e+01 1.82 1.758501252e+01 1.84 1.599879772e+01 1.86 1.452604602e+01 1.88 1.315912571e+01 1.90 1.189091183e+01 1.92 1.071466217e+01 1.94 9.624000260e+00 1.96 8.612953484e+00 1.98 7.675992047e+00 2.00 6.808004620e+00 2.02 6.004227786e+00 2.04 5.260183220e+00 2.06 4.571656903e+00 2.08 3.934709848e+00 2.10 3.345688348e+00 2.12 2.801221969e+00 2.14 2.298201143e+00 2.16 1.833754205e+00 2.18 1.405231009e+00 2.20 1.010192313e+00 2.22 6.463994015e-01 2.24 3.117963314e-01 2.26 4.485521026e-03 2.28 -2.773370590e-01 2.30 -5.354229765e-01 2.32 -7.712190903e-01 2.34 -9.861068615e-01 2.36 -1.181433100e+00 2.38 -1.358506353e+00 2.40 -1.518594097e+00 2.42 -1.662920052e+00 2.44 -1.792631278e+00 2.46 -1.908668370e+00 2.48 -2.011896971e+00 2.50 -2.103161501e+00 2.52 -2.183268291e+00 2.54 -2.252975043e+00 2.56 -2.312989335e+00 2.58 -2.363974956e+00 2.60 -2.406560994e+00 2.62 -2.441347166e+00 2.64 -2.468908231e+00 2.66 -2.489785014e+00 2.68 -2.504485199e+00 2.70 -2.513481095e+00 2.72 -2.517211311e+00 2.74 -2.516084009e+00 2.76 -2.510480211e+00 2.78 -2.500755820e+00 2.80 -2.487244797e+00 2.82 -2.470256942e+00 2.84 -2.450080357e+00 2.86 -2.426987412e+00 2.88 -2.401272522e+00 2.90 -2.373128543e+00 2.92 -2.342725618e+00 2.94 -2.310239784e+00 2.96 -2.275857492e+00 2.98 -2.239780356e+00 3.00 -2.202228273e+00 3.02 -2.163438190e+00 3.04 -2.123649130e+00 3.06 -2.083094598e+00 3.08 -2.041999925e+00 3.10 -2.000569532e+00 3.12 -1.958977404e+00 3.14 -1.917369159e+00 3.16 -1.875858096e+00 3.18 -1.834536105e+00 3.20 -1.793478457e+00 3.22 -1.752748350e+00 3.24 -1.712399395e+00 3.26 -1.672476549e+00 3.28 -1.633016404e+00 3.30 -1.594047583e+00 3.32 -1.555591597e+00 3.34 -1.517664131e+00 3.36 -1.480276515e+00 3.38 -1.443437098e+00 3.40 -1.407152019e+00 3.42 -1.371427165e+00 3.44 -1.336266551e+00 3.46 -1.301673812e+00 3.48 -1.267651772e+00 3.50 -1.234202326e+00 3.52 -1.201326357e+00 3.54 -1.169023746e+00 3.56 -1.137293514e+00 3.58 -1.106134135e+00 3.60 -1.075543991e+00 3.62 -1.045521960e+00 3.64 -1.016068063e+00 3.66 -9.871840669e-01 3.68 -9.588739408e-01 3.70 -9.311440254e-01 3.72 -9.040028368e-01 3.74 -8.774604579e-01 3.76 -8.515275652e-01 3.78 -8.262142161e-01 3.80 -8.015285811e-01 3.82 -7.774758186e-01 3.84 -7.540572546e-01 3.86 -7.312699567e-01 3.88 -7.091067077e-01 3.90 -6.875563136e-01 3.92 -6.666041387e-01 3.94 -6.462327561e-01 3.96 -6.264226161e-01 3.98 -6.071526723e-01 4.00 -5.884009355e-01 4.02 -5.701449581e-01 4.04 -5.523622693e-01 4.06 -5.350307949e-01 4.08 -5.181292962e-01 4.10 -5.016365283e-01 4.12 -4.855373572e-01 4.14 -4.698146229e-01 4.16 -4.544559458e-01 4.18 -4.394527310e-01 4.20 -4.248006934e-01 4.22 -4.105001594e-01 4.24 -3.965560280e-01 4.26 -3.829772936e-01 4.28 -3.697760882e-01 4.30 -3.569662822e-01 4.32 -3.445617788e-01 4.34 -3.325747153e-01 4.36 -3.210138222e-01 4.38 -3.098831701e-01 4.40 -2.991814599e-01 4.42 -2.889019036e-01 4.44 -2.790326359e-01 4.46 -2.695575193e-01 4.48 -2.604571699e-01 4.50 -2.517100363e-01 4.52 -2.432934021e-01 4.54 -2.351842294e-01 4.56 -2.273598082e-01 4.58 -2.197982127e-01 4.60 -2.124785929e-01 4.62 -2.053813367e-01 4.64 -1.984881470e-01 4.66 -1.917820715e-01 4.68 -1.852475187e-01 4.70 -1.788702872e-01 4.72 -1.726376274e-01 4.74 -1.665383470e-01 4.76 -1.605629629e-01 4.78 -1.547038961e-01 4.80 -1.489546576e-01 4.82 -1.433143812e-01 4.84 -1.377812805e-01 4.86 -1.323574650e-01 4.88 -1.270477097e-01 4.90 -1.218592970e-01 4.92 -1.168016775e-01 4.94 -1.118859337e-01 4.96 -1.071240736e-01 4.98 -1.025282011e-01 5.00 -9.810963846e-02 5.02 -9.387809595e-02 5.04 -8.984097549e-02 5.06 -8.600287720e-02 5.08 -8.236486394e-02 5.10 -7.892510647e-02 5.12 -7.567986075e-02 5.14 -7.262270421e-02 5.16 -6.974508291e-02 5.18 -6.703690749e-02 5.20 -6.448712539e-02 5.22 -6.208422918e-02 5.24 -5.981667770e-02 5.26 -5.767322231e-02 5.28 -5.564314126e-02 5.30 -5.371639249e-02 5.32 -5.188369860e-02 5.34 -5.013657866e-02 5.36 -4.846734070e-02 5.38 -4.686904706e-02 5.40 -4.533546226e-02 5.42 -4.386099132e-02 5.44 -4.244061408e-02 5.46 -4.106981970e-02 5.48 -3.974454395e-02 5.50 -3.846111110e-02 5.52 -3.721618135e-02 5.54 -3.600670422e-02 5.56 -3.482987807e-02 5.58 -3.368311564e-02 5.60 -3.256401536e-02 5.62 -3.147033824e-02 5.64 -3.039998988e-02 5.66 -2.935100759e-02 5.68 -2.832155240e-02 5.70 -2.730990546e-02 5.72 -2.631446894e-02 5.74 -2.533377104e-02 5.76 -2.436647494e-02 5.78 -2.341139138e-02 5.80 -2.246749445e-02 5.82 -2.153393992e-02 5.84 -2.061008549e-02 5.86 -1.969551181e-02 5.88 -1.879004316e-02 5.90 -1.789376626e-02 5.92 -1.700704544e-02 5.94 -1.613051833e-02 5.96 -1.526504731e-02 5.98 -1.441186475e-02 6.00 -1.357248522e-02