# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2000--Landa-A-Wynblatt-P-Siegel-D-J-et-al--Al-Pb # implementation = 2000--Landa-A--Al-Pb--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 2022-05-24 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 2.806694580e+03 0.92 2.620155539e+03 0.94 2.452384707e+03 0.96 2.298084241e+03 0.98 2.153191982e+03 1.00 2.016607802e+03 1.02 1.889988540e+03 1.04 1.774413180e+03 1.06 1.669067815e+03 1.08 1.572804488e+03 1.10 1.484629576e+03 1.12 1.403411518e+03 1.14 1.327816535e+03 1.16 1.256504157e+03 1.18 1.187855256e+03 1.20 1.121892127e+03 1.22 1.059502345e+03 1.24 1.001106685e+03 1.26 9.472396846e+02 1.28 8.985014152e+02 1.30 8.523394589e+02 1.32 8.084764076e+02 1.34 7.666832163e+02 1.36 7.263925725e+02 1.38 6.883416865e+02 1.40 6.523172635e+02 1.42 6.183251474e+02 1.44 5.869367076e+02 1.46 5.576431585e+02 1.48 5.300134068e+02 1.50 5.042324030e+02 1.52 4.801800567e+02 1.54 4.571696035e+02 1.56 4.354238118e+02 1.58 4.153400501e+02 1.60 3.970653551e+02 1.62 3.797083239e+02 1.64 3.632997374e+02 1.66 3.479077860e+02 1.68 3.332981708e+02 1.70 3.191571334e+02 1.72 3.049571739e+02 1.74 2.905551383e+02 1.76 2.760896285e+02 1.78 2.617276872e+02 1.80 2.476008131e+02 1.82 2.337886762e+02 1.84 2.203610368e+02 1.86 2.073901872e+02 1.88 1.949660336e+02 1.90 1.831259801e+02 1.92 1.719566472e+02 1.94 1.617024719e+02 1.96 1.522675064e+02 1.98 1.431130699e+02 2.00 1.342320603e+02 2.02 1.256506700e+02 2.04 1.174269062e+02 2.06 1.096483205e+02 2.08 1.023904006e+02 2.10 9.575152195e+01 2.12 8.984059414e+01 2.14 8.470973809e+01 2.16 7.994804839e+01 2.18 7.545867721e+01 2.20 7.123108543e+01 2.22 6.725423873e+01 2.24 6.352116150e+01 2.26 6.000177999e+01 2.28 5.663198270e+01 2.30 5.339439439e+01 2.32 5.028685653e+01 2.34 4.731048677e+01 2.36 4.446660629e+01 2.38 4.175666980e+01 2.40 3.912847949e+01 2.42 3.648697200e+01 2.44 3.382329958e+01 2.46 3.113670953e+01 2.48 2.846195049e+01 2.50 2.582335171e+01 2.52 2.323334506e+01 2.54 2.070455102e+01 2.56 1.824931414e+01 2.58 1.587483201e+01 2.60 1.358318988e+01 2.62 1.137484251e+01 2.64 9.265033754e+00 2.66 7.410623085e+00 2.68 5.825424257e+00 2.70 4.477342617e+00 2.72 3.341719429e+00 2.74 2.395880805e+00 2.76 1.611767964e+00 2.78 9.257752989e-01 2.80 3.233378541e-01 2.82 -1.987552337e-01 2.84 -6.436657765e-01 2.86 -1.015735313e+00 2.88 -1.320612270e+00 2.90 -1.563606573e+00 2.92 -1.750990517e+00 2.94 -1.888362820e+00 2.96 -1.983381954e+00 2.98 -2.044578238e+00 3.00 -2.078986905e+00 3.02 -2.094404170e+00 3.04 -2.099673589e+00 3.06 -2.097658059e+00 3.08 -2.085677043e+00 3.10 -2.062786843e+00 3.12 -2.029849919e+00 3.14 -1.989167918e+00 3.16 -1.944048361e+00 3.18 -1.898361110e+00 3.20 -1.855441045e+00 3.22 -1.815783541e+00 3.24 -1.779152188e+00 3.26 -1.745375047e+00 3.28 -1.714348896e+00 3.30 -1.686040657e+00 3.32 -1.660476725e+00 3.34 -1.637705863e+00 3.36 -1.617832077e+00 3.38 -1.600640659e+00 3.40 -1.583945866e+00 3.42 -1.567506635e+00 3.44 -1.551462109e+00 3.46 -1.535958105e+00 3.48 -1.520914055e+00 3.50 -1.506284292e+00 3.52 -1.492208296e+00 3.54 -1.478814715e+00 3.56 -1.466215517e+00 3.58 -1.454500009e+00 3.60 -1.443728302e+00 3.62 -1.433917099e+00 3.64 -1.425026310e+00 3.66 -1.416962019e+00 3.68 -1.409595672e+00 3.70 -1.402855406e+00 3.72 -1.396630188e+00 3.74 -1.390796727e+00 3.76 -1.385230983e+00 3.78 -1.379807958e+00 3.80 -1.374401655e+00 3.82 -1.368884679e+00 3.84 -1.363127920e+00 3.86 -1.357001050e+00 3.88 -1.350398767e+00 3.90 -1.343246799e+00 3.92 -1.335472661e+00 3.94 -1.327004056e+00 3.96 -1.317769196e+00 3.98 -1.307697177e+00 4.00 -1.296718363e+00 4.02 -1.284764488e+00 4.04 -1.271797812e+00 4.06 -1.257863310e+00 4.08 -1.243024651e+00 4.10 -1.227348128e+00 4.12 -1.210900426e+00 4.14 -1.193704079e+00 4.16 -1.175744098e+00 4.18 -1.157002187e+00 4.20 -1.137457201e+00 4.22 -1.117084966e+00 4.24 -1.095857284e+00 4.26 -1.073777732e+00 4.28 -1.051093162e+00 4.30 -1.027906796e+00 4.32 -1.004255864e+00 4.34 -9.801808228e-01 4.36 -9.557234075e-01 4.38 -9.309307605e-01 4.40 -9.058845151e-01 4.42 -8.806863841e-01 4.44 -8.554423352e-01 4.46 -8.302622716e-01 4.48 -8.052615522e-01 4.50 -7.805589658e-01 4.52 -7.562765058e-01 4.54 -7.325397290e-01 4.56 -7.094773712e-01 4.58 -6.872211385e-01 4.60 -6.659053953e-01 4.62 -6.456667743e-01 4.64 -6.266461979e-01 4.66 -6.089970895e-01 4.68 -5.928781527e-01 4.70 -5.784494287e-01 4.72 -5.658622402e-01 4.74 -5.552026690e-01 4.76 -5.465295887e-01 4.78 -5.395010197e-01 4.80 -5.330852567e-01 4.82 -5.271622731e-01 4.84 -5.215856881e-01 4.86 -5.161956378e-01 4.88 -5.108092640e-01 4.90 -5.052177262e-01 4.92 -4.992023146e-01 4.94 -4.926402665e-01 4.96 -4.853405172e-01 4.98 -4.770975170e-01 5.00 -4.677188463e-01 5.02 -4.570280345e-01 5.04 -4.448684286e-01 5.06 -4.311071250e-01 5.08 -4.156891170e-01 5.10 -3.986304489e-01 5.12 -3.799859391e-01 5.14 -3.598361539e-01 5.16 -3.382986686e-01 5.18 -3.155366518e-01 5.20 -2.917441319e-01 5.22 -2.671428440e-01 5.24 -2.419808258e-01 5.26 -2.165303707e-01 5.28 -1.910855263e-01 5.30 -1.659589744e-01 5.32 -1.414782645e-01 5.34 -1.179834830e-01 5.36 -9.581895441e-02 5.38 -7.531951258e-02 5.40 -5.669930728e-02 5.42 -4.037976865e-02 5.44 -2.685959860e-02 5.46 -1.641868505e-02 5.48 -9.210528140e-03 5.50 -5.376514138e-03 5.52 -3.762213798e-03 5.54 -2.493501606e-03 5.56 -1.541325005e-03 5.58 -9.140679411e-04 5.60 -4.688027654e-04 5.62 -1.657437783e-04 5.64 -1.524214891e-05 5.66 2.038324984e-07 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00