# 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 = Al2Pb # 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 1.976790070e+02 1.16 1.840869813e+02 1.18 1.715089370e+02 1.20 1.598552158e+02 1.22 1.490451672e+02 1.24 1.390083156e+02 1.26 1.296812462e+02 1.28 1.210051947e+02 1.30 1.129261792e+02 1.32 1.053958001e+02 1.34 9.837099261e+01 1.36 9.181268409e+01 1.38 8.568454670e+01 1.40 7.995287753e+01 1.42 7.458724078e+01 1.44 6.956101576e+01 1.46 6.485143951e+01 1.48 6.043902936e+01 1.50 5.631339720e+01 1.52 5.246140332e+01 1.54 4.886835599e+01 1.56 4.551567254e+01 1.58 4.238476927e+01 1.60 3.945849212e+01 1.62 3.672146769e+01 1.64 3.416030103e+01 1.66 3.176354123e+01 1.68 2.952128308e+01 1.70 2.742449080e+01 1.72 2.546434147e+01 1.74 2.363188007e+01 1.76 2.191804424e+01 1.78 2.031392700e+01 1.80 1.881111611e+01 1.82 1.740198243e+01 1.84 1.607981313e+01 1.86 1.483875822e+01 1.88 1.367365711e+01 1.90 1.257982716e+01 1.92 1.155290060e+01 1.94 1.058876277e+01 1.96 9.683575981e+00 1.98 8.833838904e+00 2.00 8.036400497e+00 2.02 7.288398654e+00 2.04 6.587155210e+00 2.06 5.930086607e+00 2.08 5.314661464e+00 2.10 4.738396549e+00 2.12 4.198872848e+00 2.14 3.693752495e+00 2.16 3.220798774e+00 2.18 2.777900768e+00 2.20 2.363100516e+00 2.22 1.974617232e+00 2.24 1.610857740e+00 2.26 1.270409738e+00 2.28 9.520212109e-01 2.30 6.545744110e-01 2.32 3.770569659e-01 2.34 1.185433191e-01 2.36 -1.218290319e-01 2.38 -3.448791078e-01 2.40 -5.514039135e-01 2.42 -7.421999110e-01 2.44 -9.180805506e-01 2.46 -1.079886217e+00 2.48 -1.228482706e+00 2.50 -1.364747874e+00 2.52 -1.489549845e+00 2.54 -1.603743502e+00 2.56 -1.709429205e+00 2.58 -1.807603407e+00 2.60 -1.898313884e+00 2.62 -1.981697426e+00 2.64 -2.057964581e+00 2.66 -2.127371464e+00 2.68 -2.190195038e+00 2.70 -2.246708398e+00 2.72 -2.297164929e+00 2.74 -2.341798501e+00 2.76 -2.380837965e+00 2.78 -2.414486620e+00 2.80 -2.442924745e+00 2.82 -2.466312196e+00 2.84 -2.484793602e+00 2.86 -2.498500981e+00 2.88 -2.507557249e+00 2.90 -2.512081401e+00 2.92 -2.512196309e+00 2.94 -2.508039712e+00 2.96 -2.499778111e+00 2.98 -2.487622194e+00 3.00 -2.471841073e+00 3.02 -2.452771565e+00 3.04 -2.430818498e+00 3.06 -2.406444644e+00 3.08 -2.380171204e+00 3.10 -2.352490126e+00 3.12 -2.323849337e+00 3.14 -2.294644562e+00 3.16 -2.265194735e+00 3.18 -2.235739213e+00 3.20 -2.206439737e+00 3.22 -2.177390236e+00 3.24 -2.148629721e+00 3.26 -2.120155550e+00 3.28 -2.091935551e+00 3.30 -2.063917638e+00 3.32 -2.036035401e+00 3.34 -2.008217890e+00 3.36 -1.980397457e+00 3.38 -1.952513789e+00 3.40 -1.924516600e+00 3.42 -1.896368232e+00 3.44 -1.868043097e+00 3.46 -1.839528495e+00 3.48 -1.810823571e+00 3.50 -1.781937998e+00 3.52 -1.752890342e+00 3.54 -1.723706295e+00 3.56 -1.694416925e+00 3.58 -1.665057102e+00 3.60 -1.635664145e+00 3.62 -1.606276742e+00 3.64 -1.576934100e+00 3.66 -1.547675262e+00 3.68 -1.518538486e+00 3.70 -1.489560603e+00 3.72 -1.460776248e+00 3.74 -1.432216962e+00 3.76 -1.403910175e+00 3.78 -1.375878184e+00 3.80 -1.348137242e+00 3.82 -1.320696921e+00 3.84 -1.293559824e+00 3.86 -1.266721726e+00 3.88 -1.240172078e+00 3.90 -1.213894814e+00 3.92 -1.187869324e+00 3.94 -1.162071516e+00 3.96 -1.136474752e+00 3.98 -1.111050782e+00 4.00 -1.085770507e+00 4.02 -1.060604683e+00 4.04 -1.035524599e+00 4.06 -1.010502817e+00 4.08 -9.855140594e-01 4.10 -9.605348609e-01 4.12 -9.355509986e-01 4.14 -9.105495869e-01 4.16 -8.855276163e-01 4.18 -8.604921097e-01 4.20 -8.354619462e-01 4.22 -8.104693183e-01 4.24 -7.855605335e-01 4.26 -7.607958710e-01 4.28 -7.362482727e-01 4.30 -7.120007713e-01 4.32 -6.881427340e-01 4.34 -6.647651955e-01 4.36 -6.419557245e-01 4.38 -6.197933722e-01 4.40 -5.983442587e-01 4.42 -5.776582550e-01 4.44 -5.577670431e-01 4.46 -5.386836243e-01 4.48 -5.204031455e-01 4.50 -5.029047669e-01 4.52 -4.861542182e-01 4.54 -4.701066844e-01 4.56 -4.547097140e-01 4.58 -4.399059203e-01 4.60 -4.256353353e-01 4.62 -4.118373600e-01 4.64 -3.984523137e-01 4.66 -3.854226320e-01 4.68 -3.726937863e-01 4.70 -3.602150047e-01 4.72 -3.479398737e-01 4.74 -3.358268855e-01 4.76 -3.238399808e-01 4.78 -3.119491151e-01 4.80 -3.001299013e-01 4.82 -2.883681712e-01 4.84 -2.766543632e-01 4.86 -2.649882950e-01 4.88 -2.533783236e-01 4.90 -2.418413636e-01 4.92 -2.304025531e-01 4.94 -2.190945046e-01 4.96 -2.079561131e-01 4.98 -1.970309418e-01 5.00 -1.863652582e-01 5.02 -1.760058440e-01 5.04 -1.659977408e-01 5.06 -1.563821096e-01 5.08 -1.471943749e-01 5.10 -1.384627934e-01 5.12 -1.302075340e-01 5.14 -1.224402994e-01 5.16 -1.151644615e-01 5.18 -1.083756340e-01 5.20 -1.020625800e-01 5.22 -9.620833248e-02 5.24 -9.079140867e-02 5.26 -8.578704090e-02 5.28 -8.116832729e-02 5.30 -7.690724382e-02 5.32 -7.297550056e-02 5.34 -6.934523496e-02 5.36 -6.598953176e-02 5.38 -6.288206699e-02 5.40 -5.999899287e-02 5.42 -5.731860927e-02 5.44 -5.482071394e-02 5.46 -5.248671116e-02 5.48 -5.029962995e-02 5.50 -4.824408129e-02 5.52 -4.630617621e-02 5.54 -4.447342123e-02 5.56 -4.273460293e-02 5.58 -4.107966987e-02 5.60 -3.949961773e-02 5.62 -3.798638130e-02 5.64 -3.653273381e-02 5.66 -3.513219927e-02 5.68 -3.377897482e-02 5.70 -3.246786422e-02 5.72 -3.119422246e-02 5.74 -2.995391090e-02 5.76 -2.874326253e-02 5.78 -2.755905649e-02 5.80 -2.639850098e-02 5.82 -2.525922340e-02 5.84 -2.413926649e-02 5.86 -2.303708872e-02 5.88 -2.195156745e-02 5.90 -2.088200240e-02 5.92 -1.982811754e-02 5.94 -1.879003584e-02 5.96 -1.776818777e-02 5.98 -1.676353884e-02 6.00 -1.577744640e-02