# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2Cu # 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 8.153496960e+02 0.90 7.370694085e+02 0.92 6.667250962e+02 0.94 6.034647732e+02 0.96 5.465440762e+02 0.98 4.952943597e+02 1.00 4.491326162e+02 1.02 4.075325576e+02 1.04 3.700274360e+02 1.06 3.362026126e+02 1.08 3.056828213e+02 1.10 2.781340435e+02 1.12 2.532558324e+02 1.14 2.307791295e+02 1.16 2.104565350e+02 1.18 1.920729444e+02 1.20 1.754336117e+02 1.22 1.603638666e+02 1.24 1.467038415e+02 1.26 1.343102729e+02 1.28 1.230562898e+02 1.30 1.128280063e+02 1.32 1.035225228e+02 1.34 9.504711026e+01 1.36 8.731757003e+01 1.38 8.025907437e+01 1.40 7.380710696e+01 1.42 6.790190401e+01 1.44 6.248995863e+01 1.46 5.752391898e+01 1.48 5.296017896e+01 1.50 4.876005791e+01 1.52 4.488915710e+01 1.54 4.131626908e+01 1.56 3.801460146e+01 1.58 3.495948882e+01 1.60 3.212882636e+01 1.62 2.950279589e+01 1.64 2.706299982e+01 1.66 2.479763612e+01 1.68 2.269202881e+01 1.70 2.073623709e+01 1.72 1.891911790e+01 1.74 1.723049896e+01 1.76 1.566031543e+01 1.78 1.420027202e+01 1.80 1.284351436e+01 1.82 1.155761637e+01 1.84 1.036675581e+01 1.86 9.246440897e+00 1.88 8.193328097e+00 1.90 7.204587500e+00 1.92 6.277448614e+00 1.94 5.409336842e+00 1.96 4.597812231e+00 1.98 3.840358600e+00 2.00 3.134642070e+00 2.02 2.478432072e+00 2.04 1.869524503e+00 2.06 1.305735212e+00 2.08 7.849015615e-01 2.10 3.048868622e-01 2.12 -1.364136682e-01 2.14 -5.410618613e-01 2.16 -9.113965686e-01 2.18 -1.248015254e+00 2.20 -1.553889429e+00 2.22 -1.831111686e+00 2.24 -2.081340445e+00 2.26 -2.306228263e+00 2.28 -2.507413661e+00 2.30 -2.686465335e+00 2.32 -2.844881105e+00 2.34 -2.984087549e+00 2.36 -3.105440262e+00 2.38 -3.210179051e+00 2.40 -3.299127022e+00 2.42 -3.374043031e+00 2.44 -3.435890279e+00 2.46 -3.485411177e+00 2.48 -3.523793469e+00 2.50 -3.551958834e+00 2.52 -3.570748062e+00 2.54 -3.580948224e+00 2.56 -3.583295195e+00 2.58 -3.578445517e+00 2.60 -3.568271783e+00 2.62 -3.552503690e+00 2.64 -3.531334444e+00 2.66 -3.505277115e+00 2.68 -3.474809237e+00 2.70 -3.440374907e+00 2.72 -3.402386774e+00 2.74 -3.361231679e+00 2.76 -3.317011357e+00 2.78 -3.269625969e+00 2.80 -3.220342795e+00 2.82 -3.169186643e+00 2.84 -3.116419866e+00 2.86 -3.061531804e+00 2.88 -3.005481474e+00 2.90 -2.948537352e+00 2.92 -2.891067802e+00 2.94 -2.833021410e+00 2.96 -2.774555464e+00 2.98 -2.715814079e+00 3.00 -2.656929117e+00 3.02 -2.598022725e+00 3.04 -2.539459704e+00 3.06 -2.481415066e+00 3.08 -2.423615323e+00 3.10 -2.366149789e+00 3.12 -2.309094857e+00 3.14 -2.252519125e+00 3.16 -2.196484380e+00 3.18 -2.141046557e+00 3.20 -2.086254656e+00 3.22 -2.032153519e+00 3.24 -1.978781450e+00 3.26 -1.926173507e+00 3.28 -1.874358853e+00 3.30 -1.823364671e+00 3.32 -1.773211434e+00 3.34 -1.723918804e+00 3.36 -1.675502949e+00 3.38 -1.627987775e+00 3.40 -1.581389735e+00 3.42 -1.536175606e+00 3.44 -1.491775888e+00 3.46 -1.448151419e+00 3.48 -1.405327421e+00 3.50 -1.363365331e+00 3.52 -1.322260800e+00 3.54 -1.281983372e+00 3.56 -1.242547843e+00 3.58 -1.203982597e+00 3.60 -1.166309250e+00 3.62 -1.129510936e+00 3.64 -1.093564839e+00 3.66 -1.058479526e+00 3.68 -1.024261935e+00 3.70 -9.909148289e-01 3.72 -9.583917429e-01 3.74 -9.265313007e-01 3.76 -8.954129414e-01 3.78 -8.651173007e-01 3.80 -8.357066684e-01 3.82 -8.072256030e-01 3.84 -7.797022335e-01 3.86 -7.531477893e-01 3.88 -7.277231957e-01 3.90 -7.032813635e-01 3.92 -6.795739419e-01 3.94 -6.564162768e-01 3.96 -6.336537432e-01 3.98 -6.111625796e-01 4.00 -5.889038367e-01 4.02 -5.668607246e-01 4.04 -5.450318053e-01 4.06 -5.234268581e-01 4.08 -5.020635361e-01 4.10 -4.809635394e-01 4.12 -4.601159306e-01 4.14 -4.395730695e-01 4.16 -4.193983986e-01 4.18 -3.996432319e-01 4.20 -3.803485539e-01 4.22 -3.615465365e-01 4.24 -3.432618350e-01 4.26 -3.255126905e-01 4.28 -3.083118735e-01 4.30 -2.916674920e-01 4.32 -2.755836776e-01 4.34 -2.600611803e-01 4.36 -2.450944566e-01 4.38 -2.306555479e-01 4.40 -2.167566764e-01 4.42 -2.034118268e-01 4.44 -1.906272238e-01 4.46 -1.784028181e-01 4.48 -1.667335422e-01 4.50 -1.556103556e-01 4.52 -1.450211249e-01 4.54 -1.349513557e-01 4.56 -1.253848031e-01 4.58 -1.163039750e-01 4.60 -1.076905439e-01 4.62 -9.952568652e-02 4.64 -9.179035755e-02 4.66 -8.446551399e-02 4.68 -7.753228955e-02 4.70 -7.097213330e-02 4.72 -6.476691748e-02 4.74 -5.889901898e-02 4.76 -5.335138133e-02 4.78 -4.810755460e-02 4.80 -4.313908555e-02 4.82 -3.881751936e-02 4.84 -3.487692283e-02 4.86 -3.114687381e-02 4.88 -2.761660166e-02 4.90 -2.427580508e-02 4.92 -2.111414685e-02 4.94 -1.806281990e-02 4.96 -1.603354977e-02 4.98 -1.495349488e-02 5.00 -1.388059357e-02 5.02 -1.286977696e-02 5.04 -1.191800319e-02 5.06 -1.102195622e-02 5.08 -1.017849122e-02 5.10 -9.384628157e-03 5.12 -8.637545165e-03 5.14 -7.934571710e-03 5.16 -7.273181785e-03 5.18 -6.650987187e-03 5.20 -6.065730947e-03 5.22 -5.515280922e-03 5.24 -4.997623471e-03 5.26 -4.510857386e-03 5.28 -4.053188057e-03 5.30 -3.622921905e-03 5.32 -3.218461009e-03 5.34 -2.838297926e-03 5.36 -2.481010798e-03 5.38 -2.145258693e-03 5.40 -1.829777200e-03 5.42 -1.533374186e-03 5.44 -1.254925778e-03 5.46 -9.933725718e-04 5.48 -7.477160513e-04 5.50 -5.170152011e-04 5.52 -3.003832534e-04 5.54 -9.567918162e-05 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