# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPd2 # 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 8.684910438e+02 0.90 7.893166073e+02 0.92 7.182213206e+02 0.94 6.542982781e+02 0.96 5.967566874e+02 0.98 5.448972723e+02 1.00 4.981062877e+02 1.02 4.558371978e+02 1.04 4.176096001e+02 1.06 3.829979704e+02 1.08 3.516200137e+02 1.10 3.231416614e+02 1.12 2.972632134e+02 1.14 2.737161967e+02 1.16 2.522642026e+02 1.18 2.326956786e+02 1.20 2.148207793e+02 1.22 1.984695190e+02 1.24 1.834941933e+02 1.26 1.697605200e+02 1.28 1.571486517e+02 1.30 1.455495149e+02 1.32 1.348691612e+02 1.34 1.250226500e+02 1.36 1.159333310e+02 1.38 1.075326190e+02 1.40 9.975884265e+01 1.42 9.255605487e+01 1.44 8.587589648e+01 1.46 7.967381535e+01 1.48 7.390972019e+01 1.50 6.854763945e+01 1.52 6.355505282e+01 1.54 5.890227458e+01 1.56 5.456220057e+01 1.58 5.051070473e+01 1.60 4.672703161e+01 1.62 4.319127097e+01 1.64 3.988520821e+01 1.66 3.679235830e+01 1.68 3.389761997e+01 1.70 3.118714803e+01 1.72 2.864611905e+01 1.74 2.625086655e+01 1.76 2.402924025e+01 1.78 2.194918558e+01 1.80 2.000256704e+01 1.82 1.818176807e+01 1.84 1.647937034e+01 1.86 1.488845484e+01 1.88 1.340251253e+01 1.90 1.201542509e+01 1.92 1.072170304e+01 1.94 9.516063594e+00 1.96 8.393538843e+00 1.98 7.349293994e+00 2.00 6.379063672e+00 2.02 5.478677247e+00 2.04 4.644168864e+00 2.06 3.871599081e+00 2.08 3.157243484e+00 2.10 2.498010276e+00 2.12 1.890261070e+00 2.14 1.331238908e+00 2.16 8.183105641e-01 2.18 3.486232821e-01 2.20 -8.050955698e-02 2.22 -4.716680062e-01 2.24 -8.267187484e-01 2.26 -1.148001353e+00 2.28 -1.438047640e+00 2.30 -1.698980331e+00 2.32 -1.932889543e+00 2.34 -2.141438983e+00 2.36 -2.326390456e+00 2.38 -2.489410557e+00 2.40 -2.632075990e+00 2.42 -2.755907017e+00 2.44 -2.862251941e+00 2.46 -2.952446841e+00 2.48 -3.027780898e+00 2.50 -3.088825599e+00 2.52 -3.137144755e+00 2.54 -3.173938679e+00 2.56 -3.200184287e+00 2.58 -3.216795772e+00 2.60 -3.224627990e+00 2.62 -3.224479346e+00 2.64 -3.217095109e+00 2.66 -3.203455237e+00 2.68 -3.184181940e+00 2.70 -3.159589439e+00 2.72 -3.130232945e+00 2.74 -3.096629335e+00 2.76 -3.059253566e+00 2.78 -3.018906271e+00 2.80 -2.975832613e+00 2.82 -2.930175023e+00 2.84 -2.882385493e+00 2.86 -2.830841563e+00 2.88 -2.777465454e+00 2.90 -2.722908290e+00 2.92 -2.667613930e+00 2.94 -2.611466067e+00 2.96 -2.554730392e+00 2.98 -2.497625072e+00 3.00 -2.440315628e+00 3.02 -2.382952646e+00 3.04 -2.325672464e+00 3.06 -2.268597770e+00 3.08 -2.211838700e+00 3.10 -2.155493773e+00 3.12 -2.099650888e+00 3.14 -2.044388295e+00 3.16 -1.989774888e+00 3.18 -1.935871293e+00 3.20 -1.882730926e+00 3.22 -1.830399425e+00 3.24 -1.778899604e+00 3.26 -1.729155895e+00 3.28 -1.680569145e+00 3.30 -1.632854410e+00 3.32 -1.586030639e+00 3.34 -1.540126799e+00 3.36 -1.495153592e+00 3.38 -1.451108443e+00 3.40 -1.408012919e+00 3.42 -1.365935185e+00 3.44 -1.324669502e+00 3.46 -1.284130360e+00 3.48 -1.244349648e+00 3.50 -1.205451917e+00 3.52 -1.167536562e+00 3.54 -1.130623476e+00 3.56 -1.094676946e+00 3.58 -1.059675358e+00 3.60 -1.025598250e+00 3.62 -9.924224101e-01 3.64 -9.601358325e-01 3.66 -9.287335774e-01 3.68 -8.982061985e-01 3.70 -8.685375116e-01 3.72 -8.396809657e-01 3.74 -8.115842883e-01 3.76 -7.842717337e-01 3.78 -7.577488205e-01 3.80 -7.320173453e-01 3.82 -7.070858077e-01 3.84 -6.829576429e-01 3.86 -6.596626541e-01 3.88 -6.372153467e-01 3.90 -6.154377859e-01 3.92 -5.941808698e-01 3.94 -5.734450316e-01 3.96 -5.532360226e-01 3.98 -5.335618106e-01 4.00 -5.144312434e-01 4.02 -4.958530485e-01 4.04 -4.778351013e-01 4.06 -4.604126659e-01 4.08 -4.436661429e-01 4.10 -4.274209188e-01 4.12 -4.115661556e-01 4.14 -3.960454145e-01 4.16 -3.808162940e-01 4.18 -3.658480227e-01 4.20 -3.511193734e-01 4.22 -3.366168586e-01 4.24 -3.223331806e-01 4.26 -3.082659051e-01 4.28 -2.944163345e-01 4.30 -2.807885555e-01 4.32 -2.673884376e-01 4.34 -2.541864521e-01 4.36 -2.412093284e-01 4.38 -2.285194124e-01 4.40 -2.161650200e-01 4.42 -2.041826544e-01 4.44 -1.925989109e-01 4.46 -1.814321121e-01 4.48 -1.706937070e-01 4.50 -1.603894676e-01 4.52 -1.505205088e-01 4.54 -1.410841575e-01 4.56 -1.320745015e-01 4.58 -1.234676952e-01 4.60 -1.156999650e-01 4.62 -1.087145474e-01 4.64 -1.020500691e-01 4.66 -9.571145966e-02 4.68 -8.968763290e-02 4.70 -8.396700517e-02 4.72 -7.853773690e-02 4.74 -7.338787907e-02 4.76 -6.850549283e-02 4.78 -6.387874598e-02 4.80 -5.949599109e-02 4.82 -5.534582581e-02 4.84 -5.141714097e-02 4.86 -4.769915636e-02 4.88 -4.418144679e-02 4.90 -4.085396024e-02 4.92 -3.770702949e-02 4.94 -3.473137832e-02 4.96 -3.191812283e-02 4.98 -2.925876927e-02 5.00 -2.674520894e-02 5.02 -2.436971114e-02 5.04 -2.212491421e-02 5.06 -2.000381450e-02 5.08 -1.799975501e-02 5.10 -1.610641322e-02 5.12 -1.431778848e-02 5.14 -1.262818905e-02 5.16 -1.103221893e-02 5.18 -9.524764871e-03 5.20 -8.100983544e-03 5.22 -6.756289036e-03 5.24 -5.486340280e-03 5.26 -4.287006506e-03 5.28 -3.155871031e-03 5.30 -2.121100217e-03 5.32 -1.855287762e-03 5.34 -1.628833065e-03 5.36 -1.421833019e-03 5.38 -1.227751667e-03 5.40 -1.045802763e-03 5.42 -8.752465951e-04 5.44 -7.153873038e-04 5.46 -5.655703616e-04 5.48 -4.251801997e-04 5.50 -2.936379701e-04 5.52 -1.703994007e-04 5.54 -5.421420357e-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