# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Pd # implementation = 2003--Lee-B-J--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 7.208659278e+03 0.04 6.755899016e+03 0.06 6.330843052e+03 0.08 5.931830668e+03 0.10 5.557298970e+03 0.12 5.205777221e+03 0.14 4.875881490e+03 0.16 4.566309609e+03 0.18 4.275836417e+03 0.20 4.003309283e+03 0.22 3.747643878e+03 0.24 3.507820191e+03 0.26 3.282878781e+03 0.28 3.071917236e+03 0.30 2.874086837e+03 0.32 2.688589419e+03 0.34 2.514674408e+03 0.36 2.351636033e+03 0.38 2.198810691e+03 0.40 2.055574478e+03 0.42 1.921340847e+03 0.44 1.795558415e+03 0.46 1.677708886e+03 0.48 1.567305106e+03 0.50 1.463889217e+03 0.52 1.367030933e+03 0.54 1.276325904e+03 0.56 1.191394184e+03 0.58 1.111878779e+03 0.60 1.037444293e+03 0.62 9.677756385e+02 0.64 9.025768314e+02 0.66 8.415698547e+02 0.68 7.844935872e+02 0.70 7.311027958e+02 0.72 6.811671871e+02 0.74 6.344705142e+02 0.76 5.908097362e+02 0.78 5.499942276e+02 0.80 5.118450333e+02 0.82 4.761941683e+02 0.84 4.428839586e+02 0.86 4.117664205e+02 0.88 3.827026774e+02 0.90 3.555624102e+02 0.92 3.302233414e+02 0.94 3.065707487e+02 0.96 2.844970079e+02 0.98 2.639011635e+02 1.00 2.446885238e+02 1.02 2.267702810e+02 1.04 2.100631535e+02 1.06 1.944890497e+02 1.08 1.799747520e+02 1.10 1.664516193e+02 1.12 1.538553078e+02 1.14 1.421255082e+02 1.16 1.312056988e+02 1.18 1.210429136e+02 1.20 1.115875240e+02 1.22 1.027930337e+02 1.24 9.461588647e+01 1.26 8.701528464e+01 1.28 7.995301946e+01 1.30 7.339331108e+01 1.32 6.730265852e+01 1.34 6.164969862e+01 1.36 5.640507361e+01 1.38 5.154130669e+01 1.40 4.703268521e+01 1.42 4.285515089e+01 1.44 3.898619684e+01 1.46 3.540477080e+01 1.48 3.209118427e+01 1.50 2.902702725e+01 1.52 2.619508818e+01 1.54 2.357927881e+01 1.56 2.116456361e+01 1.58 1.893689365e+01 1.60 1.688314439e+01 1.62 1.499105744e+01 1.64 1.324918583e+01 1.66 1.164684269e+01 1.68 1.017405313e+01 1.70 8.821508989e+00 1.72 7.580526563e+00 1.74 6.443006791e+00 1.76 5.401398008e+00 1.78 4.448660982e+00 1.80 3.578236133e+00 1.82 2.784012785e+00 1.84 2.060300341e+00 1.86 1.401801252e+00 1.88 8.035856630e-01 1.90 2.610676519e-01 1.92 -2.300170662e-01 1.94 -6.736320395e-01 1.96 -1.073459686e+00 1.98 -1.432919681e+00 2.00 -1.755186214e+00 2.02 -2.043204174e+00 2.04 -2.299704350e+00 2.06 -2.527217691e+00 2.08 -2.728088712e+00 2.10 -2.904488072e+00 2.12 -3.058424411e+00 2.14 -3.191755469e+00 2.16 -3.306198539e+00 2.18 -3.403340310e+00 2.20 -3.484646123e+00 2.22 -3.551468670e+00 2.24 -3.605056196e+00 2.26 -3.646560195e+00 2.28 -3.677042650e+00 2.30 -3.697482833e+00 2.32 -3.708783674e+00 2.34 -3.711777728e+00 2.36 -3.707232747e+00 2.38 -3.695856870e+00 2.40 -3.678303444e+00 2.42 -3.655175482e+00 2.44 -3.627029778e+00 2.46 -3.594380682e+00 2.48 -3.557703546e+00 2.50 -3.517437865e+00 2.52 -3.473990115e+00 2.54 -3.427736314e+00 2.56 -3.379024326e+00 2.58 -3.328175919e+00 2.60 -3.275488612e+00 2.62 -3.221237325e+00 2.64 -3.165675859e+00 2.66 -3.109038228e+00 2.68 -3.051539873e+00 2.70 -2.993378765e+00 2.72 -2.934736435e+00 2.74 -2.875778929e+00 2.76 -2.816657718e+00 2.78 -2.757510567e+00 2.80 -2.698462367e+00 2.82 -2.639625950e+00 2.84 -2.581102876e+00 2.86 -2.522984195e+00 2.88 -2.465351195e+00 2.90 -2.408276118e+00 2.92 -2.351822855e+00 2.94 -2.296047602e+00 2.96 -2.240999494e+00 2.98 -2.186721196e+00 3.00 -2.133249462e+00 3.02 -2.080615650e+00 3.04 -2.028846209e+00 3.06 -1.977963118e+00 3.08 -1.927984302e+00 3.10 -1.878924001e+00 3.12 -1.830793116e+00 3.14 -1.783599525e+00 3.16 -1.737348371e+00 3.18 -1.692042324e+00 3.20 -1.647681821e+00 3.22 -1.604265293e+00 3.24 -1.561789361e+00 3.26 -1.520249027e+00 3.28 -1.479637844e+00 3.30 -1.439948070e+00 3.32 -1.401170818e+00 3.34 -1.363296182e+00 3.36 -1.326313362e+00 3.38 -1.290210775e+00 3.40 -1.254976158e+00 3.42 -1.220596658e+00 3.44 -1.187058920e+00 3.46 -1.154349166e+00 3.48 -1.122453264e+00 3.50 -1.091356793e+00 3.52 -1.061045103e+00 3.54 -1.031503371e+00 3.56 -1.002716645e+00 3.58 -9.746698900e-01 3.60 -9.473480309e-01 3.62 -9.207359846e-01 3.64 -8.948186945e-01 3.66 -8.695811591e-01 3.68 -8.450084584e-01 3.70 -8.210857768e-01 3.72 -7.977984245e-01 3.74 -7.751318553e-01 3.76 -7.530716833e-01 3.78 -7.316036968e-01 3.80 -7.107138712e-01 3.82 -6.903883793e-01 3.84 -6.706136009e-01 3.86 -6.513761306e-01 3.88 -6.326627844e-01 3.90 -6.144606054e-01 3.92 -5.967568679e-01 3.94 -5.795390810e-01 3.96 -5.627949915e-01 3.98 -5.465125853e-01 4.00 -5.306800888e-01 4.02 -5.152859694e-01 4.04 -5.003189354e-01 4.06 -4.857679352e-01 4.08 -4.716221568e-01 4.10 -4.578710257e-01 4.12 -4.445042036e-01 4.14 -4.315115859e-01 4.16 -4.188832994e-01 4.18 -4.066096997e-01 4.20 -3.946813683e-01 4.22 -3.830891092e-01 4.24 -3.718239461e-01 4.26 -3.608771188e-01 4.28 -3.502400795e-01 4.30 -3.399044896e-01 4.32 -3.298622155e-01 4.34 -3.201053254e-01 4.36 -3.106260851e-01 4.38 -3.014169544e-01 4.40 -2.924705831e-01 4.42 -2.830438553e-01 4.44 -2.639678940e-01 4.46 -2.128602080e-01 4.48 -1.079698666e-01 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 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 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