# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Alvi-S-M-A-A-Faiyad-A-Munshi-M-A-M-et-al--Ag-Au # implementation = 2022--Alvi-S-M-A-A--Ag-Au--LAMMPS--ipr1 # composition = Ag2Au # 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 1.914669552e+03 0.92 1.753170583e+03 0.94 1.607058772e+03 0.96 1.474694355e+03 0.98 1.354631227e+03 1.00 1.245591659e+03 1.02 1.146444683e+03 1.04 1.056187537e+03 1.06 9.739296759e+02 1.08 8.988789977e+02 1.10 8.303299105e+02 1.12 7.676529864e+02 1.14 7.102859772e+02 1.16 6.577259748e+02 1.18 6.095225775e+02 1.20 5.652719134e+02 1.22 5.246113582e+02 1.24 4.870656084e+02 1.26 4.518200683e+02 1.28 4.188313903e+02 1.30 3.880876477e+02 1.32 3.595321839e+02 1.34 3.330781525e+02 1.36 3.086194452e+02 1.38 2.860388169e+02 1.40 2.652138539e+02 1.42 2.460212852e+02 1.44 2.283400250e+02 1.46 2.120528143e+02 1.48 1.968014307e+02 1.50 1.813794608e+02 1.52 1.660304787e+02 1.54 1.510942387e+02 1.56 1.368047578e+02 1.58 1.233147425e+02 1.60 1.107150096e+02 1.62 9.904983143e+01 1.64 8.832902384e+01 1.66 7.853742351e+01 1.68 6.964226379e+01 1.70 6.159888484e+01 1.72 5.435511221e+01 1.74 4.785457862e+01 1.76 4.203921352e+01 1.78 3.685107457e+01 1.80 3.223366572e+01 1.82 2.813285498e+01 1.84 2.449748299e+01 1.86 2.127973530e+01 1.88 1.843533457e+01 1.90 1.592359975e+01 1.92 1.370740668e+01 1.94 1.175307830e+01 1.96 1.003022704e+01 1.98 8.511564978e+00 2.00 7.172695395e+00 2.02 5.991895653e+00 2.04 4.949897659e+00 2.06 4.029672293e+00 2.08 3.216221139e+00 2.10 2.496373907e+00 2.12 1.858572183e+00 2.14 1.292679558e+00 2.16 7.898309807e-01 2.18 3.422954663e-01 2.20 -5.665029010e-02 2.22 -4.128372443e-01 2.24 -7.313086802e-01 2.26 -1.016415037e+00 2.28 -1.271899144e+00 2.30 -1.500972654e+00 2.32 -1.706384427e+00 2.34 -1.890481300e+00 2.36 -2.055262099e+00 2.38 -2.202425448e+00 2.40 -2.333411934e+00 2.42 -2.449441788e+00 2.44 -2.551571780e+00 2.46 -2.640777717e+00 2.48 -2.717977517e+00 2.50 -2.784034513e+00 2.52 -2.839762400e+00 2.54 -2.885937294e+00 2.56 -2.923290932e+00 2.58 -2.952508566e+00 2.60 -2.974231707e+00 2.62 -2.989060712e+00 2.64 -2.997557231e+00 2.66 -3.000246510e+00 2.68 -2.997619558e+00 2.70 -2.990135193e+00 2.72 -2.978221967e+00 2.74 -2.962279982e+00 2.76 -2.942682599e+00 2.78 -2.919778048e+00 2.80 -2.893890943e+00 2.82 -2.865323716e+00 2.84 -2.834357956e+00 2.86 -2.801255681e+00 2.88 -2.766260531e+00 2.90 -2.729598889e+00 2.92 -2.691480941e+00 2.94 -2.652101672e+00 2.96 -2.611641805e+00 2.98 -2.570268681e+00 3.00 -2.528137094e+00 3.02 -2.485390069e+00 3.04 -2.442159603e+00 3.06 -2.398567354e+00 3.08 -2.354725295e+00 3.10 -2.310736329e+00 3.12 -2.266694862e+00 3.14 -2.222687352e+00 3.16 -2.178792817e+00 3.18 -2.135083318e+00 3.20 -2.091624409e+00 3.22 -2.048475565e+00 3.24 -2.005690583e+00 3.26 -1.963317958e+00 3.28 -1.921401237e+00 3.30 -1.879979355e+00 3.32 -1.839086945e+00 3.34 -1.798754637e+00 3.36 -1.759009336e+00 3.38 -1.719874480e+00 3.40 -1.681370288e+00 3.42 -1.643513990e+00 3.44 -1.606320047e+00 3.46 -1.569800353e+00 3.48 -1.533964430e+00 3.50 -1.498819606e+00 3.52 -1.464371186e+00 3.54 -1.430622615e+00 3.56 -1.397575624e+00 3.58 -1.365230373e+00 3.60 -1.333585586e+00 3.62 -1.302638671e+00 3.64 -1.272385843e+00 3.66 -1.242822227e+00 3.68 -1.213941966e+00 3.70 -1.185738315e+00 3.72 -1.158203735e+00 3.74 -1.131329970e+00 3.76 -1.105108134e+00 3.78 -1.079528782e+00 3.80 -1.054581977e+00 3.82 -1.030257355e+00 3.84 -1.006544188e+00 3.86 -9.834314355e-01 3.88 -9.609077976e-01 3.90 -9.389617634e-01 3.92 -9.175816543e-01 3.94 -8.967556652e-01 3.96 -8.764719023e-01 3.98 -8.567184170e-01 4.00 -8.374832384e-01 4.02 -8.187544018e-01 4.04 -8.005199749e-01 4.06 -7.827680828e-01 4.08 -7.654869285e-01 4.10 -7.486648135e-01 4.12 -7.322901551e-01 4.14 -7.163515022e-01 4.16 -7.008375492e-01 4.18 -6.857371486e-01 4.20 -6.710393219e-01 4.22 -6.567332688e-01 4.24 -6.428083756e-01 4.26 -6.291933981e-01 4.28 -6.147055046e-01 4.30 -5.967618482e-01 4.32 -5.773382116e-01 4.34 -5.646760621e-01 4.36 -5.536932933e-01 4.38 -5.429861159e-01 4.40 -5.325470102e-01 4.42 -5.223686283e-01 4.44 -5.124437941e-01 4.46 -5.027655018e-01 4.48 -4.933269151e-01 4.50 -4.841213654e-01 4.52 -4.751423503e-01 4.54 -4.663835318e-01 4.56 -4.578387341e-01 4.58 -4.495019413e-01 4.60 -4.413672952e-01 4.62 -4.334290927e-01 4.64 -4.256817832e-01 4.66 -4.181199662e-01 4.68 -4.107383882e-01 4.70 -4.035319400e-01 4.72 -3.964956541e-01 4.74 -3.896247014e-01 4.76 -3.829143888e-01 4.78 -3.763601557e-01 4.80 -3.699575715e-01 4.82 -3.637023327e-01 4.84 -3.575902594e-01 4.86 -3.516172930e-01 4.88 -3.457794931e-01 4.90 -3.400730345e-01 4.92 -3.337952485e-01 4.94 -3.180102331e-01 4.96 -2.686850624e-01 4.98 -1.511583356e-01 5.00 -3.803335650e-22 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