# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2012--Ko-W-S-Kim-N-J-Lee-B-J--P # implementation = 2012--Ko-W-S--P--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 P P 0.02 5.658537602e+02 0.04 5.375845527e+02 0.06 5.106562772e+02 0.08 4.850072087e+02 0.10 4.605784030e+02 0.12 4.373135735e+02 0.14 4.151589731e+02 0.16 3.940632821e+02 0.18 3.739775005e+02 0.20 3.548548446e+02 0.22 3.366506489e+02 0.24 3.193222719e+02 0.26 3.028290058e+02 0.28 2.871319907e+02 0.30 2.721941322e+02 0.32 2.579800226e+02 0.34 2.444558658e+02 0.36 2.315894050e+02 0.38 2.193498545e+02 0.40 2.077078332e+02 0.42 1.966353025e+02 0.44 1.861055055e+02 0.46 1.760929099e+02 0.48 1.665731532e+02 0.50 1.575229899e+02 0.52 1.489202413e+02 0.54 1.407437479e+02 0.56 1.329733231e+02 0.58 1.255897097e+02 0.60 1.185745379e+02 0.62 1.119102854e+02 0.64 1.055802387e+02 0.66 9.956845722e+01 0.68 9.385973783e+01 0.70 8.843958170e+01 0.72 8.329416237e+01 0.74 7.841029523e+01 0.76 7.377540842e+01 0.78 6.937751503e+01 0.80 6.520518643e+01 0.82 6.124752693e+01 0.84 5.749414948e+01 0.86 5.393515244e+01 0.88 5.056109743e+01 0.90 4.736298813e+01 0.92 4.433225000e+01 0.94 4.146071090e+01 0.96 3.874058260e+01 0.98 3.616444300e+01 1.00 3.372521922e+01 1.02 3.141617137e+01 1.04 2.923087706e+01 1.06 2.716321655e+01 1.08 2.520735865e+01 1.10 2.335774718e+01 1.12 2.160908810e+01 1.14 1.995633726e+01 1.16 1.839468879e+01 1.18 1.691956401e+01 1.20 1.552660107e+01 1.22 1.421164502e+01 1.24 1.297073858e+01 1.26 1.180011336e+01 1.28 1.069618168e+01 1.30 9.655528834e+00 1.32 8.674905826e+00 1.34 7.751222550e+00 1.36 6.881541323e+00 1.38 6.063070752e+00 1.40 5.293159881e+00 1.42 4.569292570e+00 1.44 3.889082039e+00 1.46 3.250265557e+00 1.48 2.650699212e+00 1.50 2.088352728e+00 1.52 1.561304315e+00 1.54 1.067735508e+00 1.56 6.059260094e-01 1.58 1.742485065e-01 1.60 -2.288364987e-01 1.62 -6.047858515e-01 1.64 -9.549788599e-01 1.66 -1.280722334e+00 1.68 -1.583255512e+00 1.70 -1.863754824e+00 1.72 -2.123338469e+00 1.74 -2.363070744e+00 1.76 -2.583966113e+00 1.78 -2.786992960e+00 1.80 -2.973077031e+00 1.82 -3.143104534e+00 1.84 -3.297924893e+00 1.86 -3.438353168e+00 1.88 -3.565172145e+00 1.90 -3.679134119e+00 1.92 -3.780962390e+00 1.94 -3.871352511e+00 1.96 -3.950973311e+00 1.98 -4.020467728e+00 2.00 -4.080453493e+00 2.02 -4.131523693e+00 2.04 -4.174247242e+00 2.06 -4.209169294e+00 2.08 -4.236811614e+00 2.10 -4.257672943e+00 2.12 -4.272229350e+00 2.14 -4.280934615e+00 2.16 -4.284220623e+00 2.18 -4.282497796e+00 2.20 -4.276155563e+00 2.22 -4.265562855e+00 2.24 -4.251068651e+00 2.26 -4.233002545e+00 2.28 -4.211675349e+00 2.30 -4.187379726e+00 2.32 -4.160390833e+00 2.34 -4.130966995e+00 2.36 -4.099350377e+00 2.38 -4.065767670e+00 2.40 -4.030430781e+00 2.42 -3.993537509e+00 2.44 -3.955272227e+00 2.46 -3.915806550e+00 2.48 -3.875299981e+00 2.50 -3.833900558e+00 2.52 -3.791745466e+00 2.54 -3.748961642e+00 2.56 -3.705666351e+00 2.58 -3.661967744e+00 2.60 -3.617965393e+00 2.62 -3.573750800e+00 2.64 -3.529407887e+00 2.66 -3.485013462e+00 2.68 -3.440637654e+00 2.70 -3.396344343e+00 2.72 -3.352191546e+00 2.74 -3.308231804e+00 2.76 -3.264512529e+00 2.78 -3.221076346e+00 2.80 -3.177961406e+00 2.82 -3.135201685e+00 2.84 -3.092827268e+00 2.86 -3.050864613e+00 2.88 -3.009336799e+00 2.90 -2.968263762e+00 2.92 -2.927662517e+00 2.94 -2.887547366e+00 2.96 -2.847930092e+00 2.98 -2.808820144e+00 3.00 -2.770224815e+00 3.02 -2.732149398e+00 3.04 -2.694597348e+00 3.06 -2.657570423e+00 3.08 -2.621068824e+00 3.10 -2.585091323e+00 3.12 -2.549635390e+00 3.14 -2.514697305e+00 3.16 -2.480272274e+00 3.18 -2.446354526e+00 3.20 -2.412937424e+00 3.22 -2.380013550e+00 3.24 -2.347574801e+00 3.26 -2.315612474e+00 3.28 -2.284117347e+00 3.30 -2.253079759e+00 3.32 -2.222489687e+00 3.34 -2.192336812e+00 3.36 -2.162610594e+00 3.38 -2.133300330e+00 3.40 -2.104395223e+00 3.42 -2.075884438e+00 3.44 -2.047757158e+00 3.46 -2.020002637e+00 3.48 -1.992610252e+00 3.50 -1.965569548e+00 3.52 -1.938870284e+00 3.54 -1.912502473e+00 3.56 -1.886456419e+00 3.58 -1.860722757e+00 3.60 -1.835292475e+00 3.62 -1.810156951e+00 3.64 -1.785307973e+00 3.66 -1.760737761e+00 3.68 -1.736438986e+00 3.70 -1.712404780e+00 3.72 -1.688628753e+00 3.74 -1.665104994e+00 3.76 -1.641828077e+00 3.78 -1.618793062e+00 3.80 -1.595995488e+00 3.82 -1.573431369e+00 3.84 -1.551097186e+00 3.86 -1.528989866e+00 3.88 -1.507106777e+00 3.90 -1.485445699e+00 3.92 -1.464004811e+00 3.94 -1.442782664e+00 3.96 -1.421778155e+00 3.98 -1.400990503e+00 4.00 -1.380419220e+00 4.02 -1.360064081e+00 4.04 -1.339925094e+00 4.06 -1.320002470e+00 4.08 -1.300296593e+00 4.10 -1.280807990e+00 4.12 -1.261537298e+00 4.14 -1.242485237e+00 4.16 -1.223652583e+00 4.18 -1.205040136e+00 4.20 -1.186648699e+00 4.22 -1.168479052e+00 4.24 -1.150531927e+00 4.26 -1.132807990e+00 4.28 -1.115307821e+00 4.30 -1.098031899e+00 4.32 -1.080980583e+00 4.34 -1.064154103e+00 4.36 -1.047552550e+00 4.38 -1.031175862e+00 4.40 -1.015023825e+00 4.42 -9.971384002e-01 4.44 -9.524181094e-01 4.46 -8.118155348e-01 4.48 -4.667222196e-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