# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Ko-W-S-Lee-B-J--Y # implementation = 2013--Ko-W-S--Y--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 Y Y 0.02 1.765269405e+02 0.04 1.709786583e+02 0.06 1.655932241e+02 0.08 1.603660831e+02 0.10 1.552928034e+02 0.12 1.503690722e+02 0.14 1.455906936e+02 0.16 1.409535845e+02 0.18 1.364537726e+02 0.20 1.320873930e+02 0.22 1.278506853e+02 0.24 1.237399912e+02 0.26 1.197517517e+02 0.28 1.158825043e+02 0.30 1.121288809e+02 0.32 1.084876048e+02 0.34 1.049554885e+02 0.36 1.015294317e+02 0.38 9.820641846e+01 0.40 9.498351522e+01 0.42 9.185786869e+01 0.44 8.882670363e+01 0.46 8.588732080e+01 0.48 8.303709496e+01 0.50 8.027347293e+01 0.52 7.759397162e+01 0.54 7.499617625e+01 0.56 7.247773847e+01 0.58 7.003637461e+01 0.60 6.766986398e+01 0.62 6.537604718e+01 0.64 6.315282446e+01 0.66 6.099815413e+01 0.68 5.891005103e+01 0.70 5.688658498e+01 0.72 5.492587935e+01 0.74 5.302610960e+01 0.76 5.118550189e+01 0.78 4.940233175e+01 0.80 4.767492269e+01 0.82 4.600164497e+01 0.84 4.438091432e+01 0.86 4.281119072e+01 0.88 4.129097720e+01 0.90 3.981881869e+01 0.92 3.839330090e+01 0.94 3.701304917e+01 0.96 3.567672747e+01 0.98 3.438303729e+01 1.00 3.313071667e+01 1.02 3.191853919e+01 1.04 3.074531298e+01 1.06 2.960987985e+01 1.08 2.851111430e+01 1.10 2.744792270e+01 1.12 2.641924234e+01 1.14 2.542404068e+01 1.16 2.446131446e+01 1.18 2.353008891e+01 1.20 2.262941702e+01 1.22 2.175837870e+01 1.24 2.091608013e+01 1.26 2.010165296e+01 1.28 1.931425367e+01 1.30 1.855306287e+01 1.32 1.781728460e+01 1.34 1.710614574e+01 1.36 1.641889536e+01 1.38 1.575480408e+01 1.40 1.511316350e+01 1.42 1.449328559e+01 1.44 1.389450215e+01 1.46 1.331616422e+01 1.48 1.275764156e+01 1.50 1.221832208e+01 1.52 1.169761134e+01 1.54 1.119493200e+01 1.56 1.070972334e+01 1.58 1.024144068e+01 1.60 9.789554918e+00 1.62 9.353551992e+00 1.64 8.932932321e+00 1.66 8.527210274e+00 1.68 8.135913590e+00 1.70 7.758582775e+00 1.72 7.394770456e+00 1.74 7.044040687e+00 1.76 6.705968195e+00 1.78 6.380137536e+00 1.80 6.066142171e+00 1.82 5.763583414e+00 1.84 5.472069253e+00 1.86 5.191212999e+00 1.88 4.920631752e+00 1.90 4.659944638e+00 1.92 4.408770799e+00 1.94 4.166727081e+00 1.96 3.933425406e+00 1.98 3.708469768e+00 2.00 3.491452840e+00 2.02 3.281952145e+00 2.04 3.079525795e+00 2.06 2.883707767e+00 2.08 2.694002768e+00 2.10 2.509880739e+00 2.12 2.330771102e+00 2.14 2.156056962e+00 2.16 1.985069526e+00 2.18 1.817083192e+00 2.20 1.651311877e+00 2.22 1.486907433e+00 2.24 1.322961225e+00 2.26 1.158510282e+00 2.28 9.925497737e-01 2.30 8.240538666e-01 2.32 6.520072516e-01 2.34 4.754496063e-01 2.36 2.935348100e-01 2.38 1.056055842e-01 2.40 -8.871790786e-02 2.42 -2.894403318e-01 2.44 -4.960937614e-01 2.46 -7.076553737e-01 2.48 -9.224999706e-01 2.50 -1.138409343e+00 2.52 -1.352657528e+00 2.54 -1.562180538e+00 2.56 -1.763821142e+00 2.58 -1.954617407e+00 2.60 -2.132085509e+00 2.62 -2.294441531e+00 2.64 -2.440718562e+00 2.66 -2.570762046e+00 2.68 -2.685117730e+00 2.70 -2.784850542e+00 2.72 -2.871341273e+00 2.74 -2.946101091e+00 2.76 -3.010628119e+00 2.78 -3.066313476e+00 2.80 -3.114391877e+00 2.82 -3.155925788e+00 2.84 -3.191811105e+00 2.86 -3.222794316e+00 2.88 -3.249494053e+00 2.90 -3.272422734e+00 2.92 -3.292006105e+00 2.94 -3.308599848e+00 2.96 -3.322503190e+00 2.98 -3.333969832e+00 3.00 -3.343216621e+00 3.02 -3.350430406e+00 3.04 -3.355773471e+00 3.06 -3.359387840e+00 3.08 -3.361398725e+00 3.10 -3.361917296e+00 3.12 -3.361042925e+00 3.14 -3.358865010e+00 3.16 -3.355464472e+00 3.18 -3.350914990e+00 3.20 -3.345284020e+00 3.22 -3.338633642e+00 3.24 -3.331021265e+00 3.26 -3.322500220e+00 3.28 -3.313120257e+00 3.30 -3.302927956e+00 3.32 -3.291967087e+00 3.34 -3.280278904e+00 3.36 -3.267902395e+00 3.38 -3.254874505e+00 3.40 -3.241230316e+00 3.42 -3.227003205e+00 3.44 -3.212224983e+00 3.46 -3.196926011e+00 3.48 -3.181135306e+00 3.50 -3.164880627e+00 3.52 -3.148188559e+00 3.54 -3.131084578e+00 3.56 -3.113593119e+00 3.58 -3.095737625e+00 3.60 -3.077540604e+00 3.62 -3.059023670e+00 3.64 -3.040207586e+00 3.66 -3.021112302e+00 3.68 -3.001756989e+00 3.70 -2.982160072e+00 3.72 -2.962339260e+00 3.74 -2.942311574e+00 3.76 -2.922093375e+00 3.78 -2.901700383e+00 3.80 -2.881147708e+00 3.82 -2.860449869e+00 3.84 -2.839620814e+00 3.86 -2.818673939e+00 3.88 -2.797622113e+00 3.90 -2.776477691e+00 3.92 -2.755252533e+00 3.94 -2.733958023e+00 3.96 -2.712605082e+00 3.98 -2.691204186e+00 4.00 -2.669765381e+00 4.02 -2.648298297e+00 4.04 -2.626812163e+00 4.06 -2.605315818e+00 4.08 -2.583817727e+00 4.10 -2.562325994e+00 4.12 -2.540848371e+00 4.14 -2.519392273e+00 4.16 -2.497964789e+00 4.18 -2.476572691e+00 4.20 -2.455222448e+00 4.22 -2.433920234e+00 4.24 -2.412671939e+00 4.26 -2.391483178e+00 4.28 -2.370359303e+00 4.30 -2.349305409e+00 4.32 -2.328326344e+00 4.34 -2.307426720e+00 4.36 -2.286610916e+00 4.38 -2.265883093e+00 4.40 -2.245247194e+00 4.42 -2.224706959e+00 4.44 -2.204265929e+00 4.46 -2.183927451e+00 4.48 -2.163694688e+00 4.50 -2.143570626e+00 4.52 -2.123558077e+00 4.54 -2.103659689e+00 4.56 -2.083877951e+00 4.58 -2.064215196e+00 4.60 -2.044673611e+00 4.62 -2.025255241e+00 4.64 -2.005961991e+00 4.66 -1.986795636e+00 4.68 -1.967757824e+00 4.70 -1.948850081e+00 4.72 -1.930073814e+00 4.74 -1.911430318e+00 4.76 -1.892920780e+00 4.78 -1.874546279e+00 4.80 -1.856307799e+00 4.82 -1.838206223e+00 4.84 -1.820242344e+00 4.86 -1.802416865e+00 4.88 -1.784730403e+00 4.90 -1.767183495e+00 4.92 -1.749776598e+00 4.94 -1.732510094e+00 4.96 -1.715384292e+00 4.98 -1.698399433e+00 5.00 -1.681555692e+00 5.02 -1.664853179e+00 5.04 -1.648291945e+00 5.06 -1.631871981e+00 5.08 -1.615593225e+00 5.10 -1.599455558e+00 5.12 -1.583458814e+00 5.14 -1.567602777e+00 5.16 -1.551887185e+00 5.18 -1.536311731e+00 5.20 -1.520876067e+00 5.22 -1.505579805e+00 5.24 -1.490422519e+00 5.26 -1.475403745e+00 5.28 -1.460522986e+00 5.30 -1.445779711e+00 5.32 -1.431173361e+00 5.34 -1.416703344e+00 5.36 -1.402369041e+00 5.38 -1.388169807e+00 5.40 -1.374104971e+00 5.42 -1.360173841e+00 5.44 -1.346375698e+00 5.46 -1.332709807e+00 5.48 -1.319175410e+00 5.50 -1.305771731e+00 5.52 -1.292497977e+00 5.54 -1.279353339e+00 5.56 -1.266336991e+00 5.58 -1.253448093e+00 5.60 -1.240685795e+00 5.62 -1.228049230e+00 5.64 -1.215537523e+00 5.66 -1.203149786e+00 5.68 -1.190885123e+00 5.70 -1.178742629e+00 5.72 -1.166721389e+00 5.74 -1.154820483e+00 5.76 -1.143038982e+00 5.78 -1.131375954e+00 5.80 -1.119830459e+00 5.82 -1.108401553e+00 5.84 -1.097088288e+00 5.86 -1.085889713e+00 5.88 -1.074804874e+00 5.90 -1.063832814e+00 5.92 -1.050762784e+00 5.94 -1.007196002e+00 5.96 -8.560775440e-01 5.98 -4.847013981e-01 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