# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgCu2 # 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 2023-05-12 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 1.667827543e+02 0.82 1.530022543e+02 0.84 1.405657341e+02 0.86 1.292686136e+02 0.88 1.189761880e+02 0.90 1.096057793e+02 0.92 1.010864603e+02 0.94 9.330663391e+01 0.96 8.614101574e+01 0.98 7.952955490e+01 1.00 7.344250662e+01 1.02 6.787367600e+01 1.04 6.275239051e+01 1.06 5.802230669e+01 1.08 5.363391384e+01 1.10 4.957617045e+01 1.12 4.583684242e+01 1.14 4.239117904e+01 1.16 3.920607425e+01 1.18 3.624655472e+01 1.20 3.350216557e+01 1.22 3.094295735e+01 1.24 2.854409063e+01 1.26 2.630430734e+01 1.28 2.421795079e+01 1.30 2.227110709e+01 1.32 2.046485208e+01 1.34 1.879682223e+01 1.36 1.725634561e+01 1.38 1.582644178e+01 1.40 1.449645808e+01 1.42 1.325902968e+01 1.44 1.211007066e+01 1.46 1.104568926e+01 1.48 1.005844976e+01 1.50 9.142029235e+00 1.52 8.295748673e+00 1.54 7.519356688e+00 1.56 6.807725354e+00 1.58 6.144565115e+00 1.60 5.519077604e+00 1.62 4.924557965e+00 1.64 4.358534293e+00 1.66 3.827157776e+00 1.68 3.338482712e+00 1.70 2.896556985e+00 1.72 2.492992950e+00 1.74 2.118239582e+00 1.76 1.767920917e+00 1.78 1.438432515e+00 1.80 1.127602921e+00 1.82 8.340333129e-01 1.84 5.571822029e-01 1.86 2.970350438e-01 1.88 5.359570125e-02 1.90 -1.735076032e-01 1.92 -3.865146290e-01 1.94 -5.878711224e-01 1.96 -7.786075989e-01 1.98 -9.594963328e-01 2.00 -1.131111754e+00 2.02 -1.293468775e+00 2.04 -1.446457443e+00 2.06 -1.590033151e+00 2.08 -1.724700576e+00 2.10 -1.851096896e+00 2.12 -1.969118834e+00 2.14 -2.078244623e+00 2.16 -2.177997190e+00 2.18 -2.267961253e+00 2.20 -2.348394474e+00 2.22 -2.420678150e+00 2.24 -2.485865895e+00 2.26 -2.544239602e+00 2.28 -2.596005177e+00 2.30 -2.641380750e+00 2.32 -2.680682962e+00 2.34 -2.713852771e+00 2.36 -2.741056999e+00 2.38 -2.762714429e+00 2.40 -2.779240072e+00 2.42 -2.791044469e+00 2.44 -2.798533378e+00 2.46 -2.802107439e+00 2.48 -2.802161806e+00 2.50 -2.799085740e+00 2.52 -2.793273932e+00 2.54 -2.785180691e+00 2.56 -2.775276411e+00 2.58 -2.763698852e+00 2.60 -2.749972902e+00 2.62 -2.733554150e+00 2.64 -2.713894552e+00 2.66 -2.690442103e+00 2.68 -2.662918482e+00 2.70 -2.632313356e+00 2.72 -2.599961721e+00 2.74 -2.566704614e+00 2.76 -2.532766585e+00 2.78 -2.498332640e+00 2.80 -2.463587093e+00 2.82 -2.428575980e+00 2.84 -2.392968365e+00 2.86 -2.356368891e+00 2.88 -2.318381383e+00 2.90 -2.278624968e+00 2.92 -2.237032751e+00 2.94 -2.193822327e+00 2.96 -2.149220301e+00 2.98 -2.103451769e+00 3.00 -2.056740138e+00 3.02 -2.009306908e+00 3.04 -1.961371443e+00 3.06 -1.913150703e+00 3.08 -1.864849568e+00 3.10 -1.816594771e+00 3.12 -1.768479377e+00 3.14 -1.720614253e+00 3.16 -1.673114646e+00 3.18 -1.626068526e+00 3.20 -1.579493546e+00 3.22 -1.533396277e+00 3.24 -1.487783344e+00 3.26 -1.442661402e+00 3.28 -1.398037096e+00 3.30 -1.353918774e+00 3.32 -1.310337266e+00 3.34 -1.267338913e+00 3.36 -1.224970153e+00 3.38 -1.183277117e+00 3.40 -1.142305537e+00 3.42 -1.102100643e+00 3.44 -1.062707025e+00 3.46 -1.024168463e+00 3.48 -9.865278268e-01 3.50 -9.498266951e-01 3.52 -9.141052957e-01 3.54 -8.794020429e-01 3.56 -8.457531506e-01 3.58 -8.131922270e-01 3.60 -7.817552749e-01 3.62 -7.514933734e-01 3.64 -7.223915338e-01 3.66 -6.943337808e-01 3.68 -6.671953282e-01 3.70 -6.408486425e-01 3.72 -6.151614787e-01 3.74 -5.900014475e-01 3.76 -5.652244016e-01 3.78 -5.407198271e-01 3.80 -5.165760964e-01 3.82 -4.929755815e-01 3.84 -4.700426179e-01 3.86 -4.479135537e-01 3.88 -4.265268210e-01 3.90 -4.056260883e-01 3.92 -3.857025288e-01 3.94 -3.670845488e-01 3.96 -3.500303229e-01 3.98 -3.344557415e-01 4.00 -3.192807930e-01 4.02 -3.036785477e-01 4.04 -2.872144290e-01 4.06 -2.700051158e-01 4.08 -2.521721020e-01 4.10 -2.338720033e-01 4.12 -2.149617505e-01 4.14 -1.953515789e-01 4.16 -1.751080877e-01 4.18 -1.544078993e-01 4.20 -1.334673575e-01 4.22 -1.129720729e-01 4.24 -9.361534939e-02 4.26 -7.583342994e-02 4.28 -5.987117889e-02 4.30 -4.583585048e-02 4.32 -3.374082479e-02 4.34 -2.354129389e-02 4.36 -1.516436767e-02 4.38 -8.537804741e-03 4.40 -3.628694477e-03 4.42 -5.507979264e-04 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 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