# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Pd # implementation = 1986--Foiles-S-M--Pd--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Pd Pd 0.02 6.827889673e+04 0.04 3.249237639e+04 0.06 2.061540549e+04 0.08 1.471449473e+04 0.10 1.120226922e+04 0.12 8.882949992e+03 0.14 7.243982532e+03 0.16 6.029132915e+03 0.18 5.096153038e+03 0.20 4.359972930e+03 0.22 3.766606370e+03 0.24 3.280267058e+03 0.26 2.876185887e+03 0.28 2.536607504e+03 0.30 2.248404917e+03 0.32 2.001680825e+03 0.34 1.788840973e+03 0.36 1.603976348e+03 0.38 1.442431527e+03 0.40 1.300504423e+03 0.42 1.175167182e+03 0.44 1.064011688e+03 0.46 9.650673847e+02 0.48 8.766988648e+02 0.50 7.975382364e+02 0.52 7.264331321e+02 0.54 6.624063051e+02 0.56 6.046239237e+02 0.58 5.523704705e+02 0.60 5.050287035e+02 0.62 4.620635398e+02 0.64 4.230089995e+02 0.66 3.874575598e+02 0.68 3.550514198e+02 0.70 3.254752894e+02 0.72 2.984504045e+02 0.74 2.737295313e+02 0.76 2.510927745e+02 0.78 2.303440423e+02 0.80 2.113080507e+02 0.82 1.938277720e+02 0.84 1.777622514e+02 0.86 1.629847307e+02 0.88 1.493810289e+02 0.90 1.368481371e+02 0.92 1.252929969e+02 0.94 1.146314323e+02 0.96 1.047872124e+02 0.98 9.569122736e+01 1.00 8.728076064e+01 1.02 7.949884437e+01 1.04 7.229368725e+01 1.06 6.561816525e+01 1.08 5.942936713e+01 1.10 5.367993836e+01 1.12 4.836039115e+01 1.14 4.343710863e+01 1.16 3.888407531e+01 1.18 3.467773038e+01 1.20 3.079666124e+01 1.22 2.722132265e+01 1.24 2.393377910e+01 1.26 2.091746803e+01 1.28 1.815698237e+01 1.30 1.563787153e+01 1.32 1.334646063e+01 1.34 1.126968839e+01 1.36 9.394965111e+00 1.38 7.710052352e+00 1.40 6.202966521e+00 1.42 4.861908340e+00 1.44 3.675219766e+00 1.46 2.631368900e+00 1.48 1.718961995e+00 1.50 9.279663099e-01 1.52 2.490682231e-01 1.54 -3.311651231e-01 1.56 -8.231177794e-01 1.58 -1.236693889e+00 1.60 -1.581242172e+00 1.62 -1.865491770e+00 1.64 -2.097503358e+00 1.66 -2.284436794e+00 1.68 -2.430091785e+00 1.70 -2.543592289e+00 1.72 -2.630255286e+00 1.74 -2.694673247e+00 1.76 -2.740814196e+00 1.78 -2.772071999e+00 1.80 -2.791320279e+00 1.82 -2.800967643e+00 1.84 -2.803012269e+00 1.86 -2.799094320e+00 1.88 -2.790545156e+00 1.90 -2.778382224e+00 1.92 -2.762513734e+00 1.94 -2.738106548e+00 1.96 -2.712768235e+00 1.98 -2.686902089e+00 2.00 -2.660720000e+00 2.02 -2.634361035e+00 2.04 -2.607906116e+00 2.06 -2.581392584e+00 2.08 -2.554825997e+00 2.10 -2.528189664e+00 2.12 -2.501452279e+00 2.14 -2.474574016e+00 2.16 -2.447511047e+00 2.18 -2.420218870e+00 2.20 -2.392655345e+00 2.22 -2.364782731e+00 2.24 -2.336567503e+00 2.26 -2.307983630e+00 2.28 -2.279010055e+00 2.30 -2.249633763e+00 2.32 -2.219846549e+00 2.34 -2.189648691e+00 2.36 -2.159043068e+00 2.38 -2.128039693e+00 2.40 -2.096646860e+00 2.42 -2.064903502e+00 2.44 -2.032840680e+00 2.46 -2.000448685e+00 2.48 -1.967753398e+00 2.50 -1.934797172e+00 2.52 -1.901615329e+00 2.54 -1.868083864e+00 2.56 -1.834098312e+00 2.58 -1.799598673e+00 2.60 -1.764677137e+00 2.62 -1.729544652e+00 2.64 -1.694382690e+00 2.66 -1.659342395e+00 2.68 -1.624494701e+00 2.70 -1.589825837e+00 2.72 -1.555346446e+00 2.74 -1.521071718e+00 2.76 -1.487020206e+00 2.78 -1.453211970e+00 2.80 -1.419660297e+00 2.82 -1.386390672e+00 2.84 -1.353431763e+00 2.86 -1.320811220e+00 2.88 -1.288555468e+00 2.90 -1.256689555e+00 2.92 -1.225236667e+00 2.94 -1.194130910e+00 2.96 -1.163356300e+00 2.98 -1.132971106e+00 3.00 -1.103025160e+00 3.02 -1.073560811e+00 3.04 -1.044613770e+00 3.06 -1.016213853e+00 3.08 -9.883856432e-01 3.10 -9.611490741e-01 3.12 -9.345199527e-01 3.14 -9.085971200e-01 3.16 -8.833880328e-01 3.18 -8.587823415e-01 3.20 -8.346911434e-01 3.22 -8.110437922e-01 3.24 -7.877851142e-01 3.26 -7.648729866e-01 3.28 -7.422762335e-01 3.30 -7.199727998e-01 3.32 -6.979481696e-01 3.34 -6.761939983e-01 3.36 -6.547069337e-01 3.38 -6.334876011e-01 3.40 -6.125397338e-01 3.42 -5.918694297e-01 3.44 -5.714845196e-01 3.46 -5.513798559e-01 3.48 -5.315039106e-01 3.50 -5.119056544e-01 3.52 -4.926398014e-01 3.54 -4.737513548e-01 3.56 -4.552768208e-01 3.58 -4.372452868e-01 3.60 -4.196793766e-01 3.62 -4.025960962e-01 3.64 -3.860075828e-01 3.66 -3.699217671e-01 3.68 -3.543429583e-01 3.70 -3.392723606e-01 3.72 -3.247085284e-01 3.74 -3.106477670e-01 3.76 -2.970844853e-01 3.78 -2.840115049e-01 3.80 -2.714203318e-01 3.82 -2.593013940e-01 3.84 -2.476442482e-01 3.86 -2.364377610e-01 3.88 -2.256702660e-01 3.90 -2.153297000e-01 3.92 -2.054037209e-01 3.94 -1.958798092e-01 3.96 -1.867453551e-01 3.98 -1.779877337e-01 4.00 -1.695943676e-01 4.02 -1.615527810e-01 4.04 -1.538506449e-01 4.06 -1.464758142e-01 4.08 -1.394163592e-01 4.10 -1.326605908e-01 4.12 -1.261970806e-01 4.14 -1.200146771e-01 4.16 -1.141025178e-01 4.18 -1.084500382e-01 4.20 -1.030469778e-01 4.22 -9.788338428e-02 4.24 -9.294961468e-02 4.26 -8.823633577e-02 4.28 -8.373452241e-02 4.30 -7.943545475e-02 4.32 -7.533071444e-02 4.34 -7.141217996e-02 4.36 -6.767202121e-02 4.38 -6.410269356e-02 4.40 -6.069693145e-02 4.42 -5.744774163e-02 4.44 -5.434839609e-02 4.46 -5.139242486e-02 4.48 -4.857360861e-02 4.50 -4.588597119e-02 4.52 -4.332377222e-02 4.54 -4.088149958e-02 4.56 -3.855386207e-02 4.58 -3.633578203e-02 4.60 -3.422238814e-02 4.62 -3.220900825e-02 4.64 -3.029116242e-02 4.66 -2.846455606e-02 4.68 -2.672507326e-02 4.70 -2.506877023e-02 4.72 -2.349186899e-02 4.74 -2.199075113e-02 4.76 -2.056195184e-02 4.78 -1.920215400e-02 4.80 -1.790818259e-02 4.82 -1.667699912e-02 4.84 -1.550569637e-02 4.86 -1.439149322e-02 4.88 -1.333172968e-02 4.90 -1.232386208e-02 4.92 -1.136545842e-02 4.94 -1.045419387e-02 4.96 -9.587846423e-03 4.98 -8.764292765e-03 5.00 -7.981504195e-03 5.02 -7.237542767e-03 5.04 -6.530557549e-03 5.06 -5.858780999e-03 5.08 -5.220525494e-03 5.10 -4.614179985e-03 5.12 -4.038206777e-03 5.14 -3.491138428e-03 5.16 -2.971574771e-03 5.18 -2.478180054e-03 5.20 -2.009680178e-03 5.22 -1.564860042e-03 5.24 -1.142560998e-03 5.26 -7.416784030e-04 5.28 -3.613936311e-04 5.30 1.742011156e-20 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 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00