# 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 = Au2Ni # 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 9.127506170e+02 0.90 8.246952591e+02 0.92 7.455719063e+02 0.94 6.744297942e+02 0.96 6.104294699e+02 0.98 5.528297659e+02 1.00 5.009655336e+02 1.02 4.542527399e+02 1.04 4.121663571e+02 1.06 3.742344425e+02 1.08 3.400349307e+02 1.10 3.091925614e+02 1.12 2.813621772e+02 1.14 2.562387000e+02 1.16 2.335509146e+02 1.18 2.130523252e+02 1.20 1.945191756e+02 1.22 1.777513121e+02 1.24 1.625700155e+02 1.26 1.488131803e+02 1.28 1.363362476e+02 1.30 1.250098258e+02 1.32 1.147160577e+02 1.34 1.053495442e+02 1.36 9.681718103e+01 1.38 8.903540546e+01 1.40 8.192920192e+01 1.42 7.543180729e+01 1.44 6.948209071e+01 1.46 6.402585856e+01 1.48 5.901405421e+01 1.50 5.440403878e+01 1.52 5.015793391e+01 1.54 4.624131014e+01 1.56 4.262332020e+01 1.58 3.927647769e+01 1.60 3.617620355e+01 1.62 3.330107021e+01 1.64 3.062988071e+01 1.66 2.814564884e+01 1.68 2.583281422e+01 1.70 2.368010460e+01 1.72 2.167297777e+01 1.74 1.980468360e+01 1.76 1.806533318e+01 1.78 1.644593748e+01 1.80 1.493830850e+01 1.82 1.349798148e+01 1.84 1.215771834e+01 1.86 1.088960398e+01 1.88 9.692018263e+00 1.90 8.563421845e+00 1.92 7.502054018e+00 1.94 6.505743256e+00 1.96 5.572304257e+00 1.98 4.699485850e+00 2.00 3.885107582e+00 2.02 3.126927717e+00 2.04 2.422789258e+00 2.06 1.771144968e+00 2.08 1.168591151e+00 2.10 6.126669757e-01 2.12 1.013417356e-01 2.14 -3.676377701e-01 2.16 -7.966318983e-01 2.18 -1.187844550e+00 2.20 -1.543287068e+00 2.22 -1.865050807e+00 2.24 -2.154947872e+00 2.26 -2.415056746e+00 2.28 -2.647006499e+00 2.30 -2.852853541e+00 2.32 -3.034448959e+00 2.34 -3.193473241e+00 2.36 -3.331532377e+00 2.38 -3.450157097e+00 2.40 -3.550801044e+00 2.42 -3.634961995e+00 2.44 -3.703850799e+00 2.46 -3.758677943e+00 2.48 -3.800359850e+00 2.50 -3.830161112e+00 2.52 -3.849740854e+00 2.54 -3.859787188e+00 2.56 -3.860901471e+00 2.58 -3.853909704e+00 2.60 -3.839581420e+00 2.62 -3.818632151e+00 2.64 -3.791726115e+00 2.66 -3.759478931e+00 2.68 -3.722440573e+00 2.70 -3.680575825e+00 2.72 -3.634976059e+00 2.74 -3.586095804e+00 2.76 -3.534344675e+00 2.78 -3.480169191e+00 2.80 -3.424046763e+00 2.82 -3.366122622e+00 2.84 -3.306103469e+00 2.86 -3.244427146e+00 2.88 -3.181762205e+00 2.90 -3.118338798e+00 2.92 -3.054551456e+00 2.94 -2.990361941e+00 2.96 -2.926339252e+00 2.98 -2.862195056e+00 3.00 -2.798068692e+00 3.02 -2.734085649e+00 3.04 -2.670359047e+00 3.06 -2.606990717e+00 3.08 -2.544071929e+00 3.10 -2.481684196e+00 3.12 -2.419900333e+00 3.14 -2.358785345e+00 3.16 -2.298395960e+00 3.18 -2.238782836e+00 3.20 -2.179990170e+00 3.22 -2.122055798e+00 3.24 -2.065013688e+00 3.26 -2.008890778e+00 3.28 -1.953712432e+00 3.30 -1.899497081e+00 3.32 -1.846261033e+00 3.34 -1.794013504e+00 3.36 -1.742765940e+00 3.38 -1.692544555e+00 3.40 -1.643409646e+00 3.42 -1.595848641e+00 3.44 -1.549158519e+00 3.46 -1.503207029e+00 3.48 -1.458064448e+00 3.50 -1.413873126e+00 3.52 -1.370684932e+00 3.54 -1.328470931e+00 3.56 -1.287203558e+00 3.58 -1.246898125e+00 3.60 -1.207566741e+00 3.62 -1.169218007e+00 3.64 -1.131683111e+00 3.66 -1.094926576e+00 3.68 -1.059075293e+00 3.70 -1.024217138e+00 3.72 -9.904171897e-01 3.74 -9.577197716e-01 3.76 -9.261582514e-01 3.78 -8.959106864e-01 3.80 -8.667383029e-01 3.82 -8.383429450e-01 3.84 -8.105097200e-01 3.86 -7.830734545e-01 3.88 -7.559400958e-01 3.90 -7.290605000e-01 3.92 -7.024163282e-01 3.94 -6.760118207e-01 3.96 -6.498208510e-01 3.98 -6.238033216e-01 4.00 -5.979590385e-01 4.02 -5.724449517e-01 4.04 -5.474474109e-01 4.06 -5.231078929e-01 4.08 -4.995310090e-01 4.10 -4.767912915e-01 4.12 -4.550150870e-01 4.14 -4.341924436e-01 4.16 -4.142086216e-01 4.18 -3.949711777e-01 4.20 -3.764062347e-01 4.22 -3.584552505e-01 4.24 -3.410722541e-01 4.26 -3.242214874e-01 4.28 -3.078754045e-01 4.30 -2.920129728e-01 4.32 -2.766182510e-01 4.34 -2.616792084e-01 4.36 -2.471803629e-01 4.38 -2.330728067e-01 4.40 -2.193903040e-01 4.42 -2.061730411e-01 4.44 -1.934488126e-01 4.46 -1.812352314e-01 4.48 -1.695416008e-01 4.50 -1.583704905e-01 4.52 -1.477190636e-01 4.54 -1.375801913e-01 4.56 -1.279433909e-01 4.58 -1.187956008e-01 4.60 -1.101218275e-01 4.62 -1.019056818e-01 4.64 -9.412982083e-02 4.66 -8.677630694e-02 4.68 -7.982690089e-02 4.70 -7.326330046e-02 4.72 -6.706732719e-02 4.74 -6.122107584e-02 4.76 -5.570703060e-02 4.78 -5.051273254e-02 4.80 -4.561334994e-02 4.82 -4.247360311e-02 4.84 -3.967615749e-02 4.86 -3.703775368e-02 4.88 -3.455028254e-02 4.90 -3.220582736e-02 4.92 -2.999677099e-02 4.94 -2.791580622e-02 4.96 -2.595594068e-02 4.98 -2.411049770e-02 5.00 -2.237311400e-02 5.02 -2.073773485e-02 5.04 -1.919860722e-02 5.06 -1.775027122e-02 5.08 -1.638755062e-02 5.10 -1.510554256e-02 5.12 -1.389960693e-02 5.14 -1.276535521e-02 5.16 -1.169863929e-02 5.18 -1.069554022e-02 5.20 -9.752357365e-03 5.22 -8.865597567e-03 5.24 -8.031964589e-03 5.26 -7.248348877e-03 5.28 -6.511817743e-03 5.30 -5.819605962e-03 5.32 -5.169106718e-03 5.34 -4.557862876e-03 5.36 -3.983558725e-03 5.38 -3.444012134e-03 5.40 -2.937167136e-03 5.42 -2.461086797e-03 5.44 -2.013946467e-03 5.46 -1.594027423e-03 5.48 -1.199710871e-03 5.50 -8.294722798e-04 5.52 -4.818759480e-04 5.54 -1.534757981e-04 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