# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Ko-W-S-Kim-D-H-Kwon-Y-J-Lee-M--Sn # implementation = 2018--Ko-W-S--Sn--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 Sn Sn 0.02 1.265277938e+03 0.04 1.208287519e+03 0.06 1.153771265e+03 0.08 1.101624213e+03 0.10 1.051745781e+03 0.12 1.004039583e+03 0.14 9.584132553e+02 0.16 9.147782968e+02 0.18 8.730499038e+02 0.20 8.331468214e+02 0.22 7.949911954e+02 0.24 7.585084332e+02 0.26 7.236270682e+02 0.28 6.902786317e+02 0.30 6.583975280e+02 0.32 6.279209167e+02 0.34 5.987885979e+02 0.36 5.709429031e+02 0.38 5.443285909e+02 0.40 5.188927458e+02 0.42 4.945846820e+02 0.44 4.713558510e+02 0.46 4.491597528e+02 0.48 4.279518508e+02 0.50 4.076894904e+02 0.52 3.883318204e+02 0.54 3.698397182e+02 0.56 3.521757179e+02 0.58 3.353039411e+02 0.60 3.191900309e+02 0.62 3.038010883e+02 0.64 2.891056115e+02 0.66 2.750734373e+02 0.68 2.616756857e+02 0.70 2.488847055e+02 0.72 2.366740236e+02 0.74 2.250182952e+02 0.76 2.138932568e+02 0.78 2.032756806e+02 0.80 1.931433315e+02 0.82 1.834749250e+02 0.84 1.742500876e+02 0.86 1.654493181e+02 0.88 1.570539515e+02 0.90 1.490461233e+02 0.92 1.414087360e+02 0.94 1.341254269e+02 0.96 1.271805368e+02 0.98 1.205590806e+02 1.00 1.142467187e+02 1.02 1.082297297e+02 1.04 1.024949846e+02 1.06 9.702992099e+01 1.08 9.182251993e+01 1.10 8.686128231e+01 1.12 8.213520706e+01 1.14 7.763376996e+01 1.16 7.334690341e+01 1.18 6.926497700e+01 1.20 6.537877895e+01 1.22 6.167949828e+01 1.24 5.815870771e+01 1.26 5.480834737e+01 1.28 5.162070907e+01 1.30 4.858842132e+01 1.32 4.570443494e+01 1.34 4.296200928e+01 1.36 4.035469902e+01 1.38 3.787634152e+01 1.40 3.552104471e+01 1.42 3.328317551e+01 1.44 3.115734866e+01 1.46 2.913841614e+01 1.48 2.722145691e+01 1.50 2.540176720e+01 1.52 2.367485110e+01 1.54 2.203641167e+01 1.56 2.048234227e+01 1.58 1.900871843e+01 1.60 1.761178994e+01 1.62 1.628797330e+01 1.64 1.503384454e+01 1.66 1.384613229e+01 1.68 1.272171115e+01 1.70 1.165759540e+01 1.72 1.065093289e+01 1.74 9.698999257e+00 1.76 8.799192348e+00 1.78 7.949026912e+00 1.80 7.146129505e+00 1.82 6.388233600e+00 1.84 5.673174923e+00 1.86 4.998886987e+00 1.88 4.363396807e+00 1.90 3.764820809e+00 1.92 3.201360908e+00 1.94 2.671300754e+00 1.96 2.173002146e+00 1.98 1.704901594e+00 2.00 1.265507026e+00 2.02 8.533946477e-01 2.04 4.672059259e-01 2.06 1.056447076e-01 2.08 -2.325255351e-01 2.10 -5.484843475e-01 2.12 -8.433568132e-01 2.14 -1.118215970e+00 2.16 -1.374085125e+00 2.18 -1.611940056e+00 2.20 -1.832711136e+00 2.22 -2.037285350e+00 2.24 -2.226508234e+00 2.26 -2.401185721e+00 2.28 -2.562085918e+00 2.30 -2.709940792e+00 2.32 -2.845447796e+00 2.34 -2.969271415e+00 2.36 -3.082044645e+00 2.38 -3.184370415e+00 2.40 -3.276822935e+00 2.42 -3.359948996e+00 2.44 -3.434269207e+00 2.46 -3.500279177e+00 2.48 -3.558450650e+00 2.50 -3.609232586e+00 2.52 -3.653052194e+00 2.54 -3.690315924e+00 2.56 -3.721410410e+00 2.58 -3.746703375e+00 2.60 -3.766544495e+00 2.62 -3.781266223e+00 2.64 -3.791184580e+00 2.66 -3.796599905e+00 2.68 -3.797797582e+00 2.70 -3.795048723e+00 2.72 -3.788610830e+00 2.74 -3.778728419e+00 2.76 -3.765633624e+00 2.78 -3.749546773e+00 2.80 -3.730676929e+00 2.82 -3.709222421e+00 2.84 -3.685371342e+00 2.86 -3.659302024e+00 2.88 -3.631183498e+00 2.90 -3.601175929e+00 2.92 -3.569431032e+00 2.94 -3.536092469e+00 2.96 -3.501296231e+00 2.98 -3.465170997e+00 3.00 -3.427838484e+00 3.02 -3.389413776e+00 3.04 -3.350005637e+00 3.06 -3.309716818e+00 3.08 -3.268644340e+00 3.10 -3.226879769e+00 3.12 -3.184509480e+00 3.14 -3.141614907e+00 3.16 -3.098272780e+00 3.18 -3.054555355e+00 3.20 -3.010530629e+00 3.22 -2.966262550e+00 3.24 -2.921811213e+00 3.26 -2.877233050e+00 3.28 -2.832581012e+00 3.30 -2.787904736e+00 3.32 -2.743250715e+00 3.34 -2.698662449e+00 3.36 -2.654180599e+00 3.38 -2.609843126e+00 3.40 -2.565685430e+00 3.42 -2.521740475e+00 3.44 -2.478038917e+00 3.46 -2.434609218e+00 3.48 -2.391477764e+00 3.50 -2.348668963e+00 3.52 -2.306205357e+00 3.54 -2.264107710e+00 3.56 -2.222395111e+00 3.58 -2.181085051e+00 3.60 -2.140193517e+00 3.62 -2.099735065e+00 3.64 -2.059722904e+00 3.66 -2.020168960e+00 3.68 -1.981083954e+00 3.70 -1.942477461e+00 3.72 -1.904357979e+00 3.74 -1.866732986e+00 3.76 -1.829608995e+00 3.78 -1.792991615e+00 3.80 -1.756885595e+00 3.82 -1.721294881e+00 3.84 -1.686222656e+00 3.86 -1.651671390e+00 3.88 -1.617642880e+00 3.90 -1.584138291e+00 3.92 -1.551158195e+00 3.94 -1.518702607e+00 3.96 -1.486771021e+00 3.98 -1.455362441e+00 4.00 -1.424475416e+00 4.02 -1.394108066e+00 4.04 -1.364258116e+00 4.06 -1.334922915e+00 4.08 -1.306099470e+00 4.10 -1.277784466e+00 4.12 -1.249974290e+00 4.14 -1.222665053e+00 4.16 -1.195852613e+00 4.18 -1.169532591e+00 4.20 -1.143700393e+00 4.22 -1.118351227e+00 4.24 -1.093480120e+00 4.26 -1.069081935e+00 4.28 -1.045151384e+00 4.30 -1.021683043e+00 4.32 -9.986713698e-01 4.34 -9.761107105e-01 4.36 -9.539953162e-01 4.38 -9.323193534e-01 4.40 -9.110769148e-01 4.42 -8.902620297e-01 4.44 -8.698686738e-01 4.46 -8.498907788e-01 4.48 -8.303222405e-01 4.50 -8.111569273e-01 4.52 -7.923886883e-01 4.54 -7.740113599e-01 4.56 -7.560187730e-01 4.58 -7.384047596e-01 4.60 -7.211631584e-01 4.62 -7.042878209e-01 4.64 -6.877726163e-01 4.66 -6.716114368e-01 4.68 -6.557982021e-01 4.70 -6.403268637e-01 4.72 -6.251914089e-01 4.74 -6.103858647e-01 4.76 -5.959043012e-01 4.78 -5.817408348e-01 4.80 -5.678896312e-01 4.82 -5.543449082e-01 4.84 -5.411009382e-01 4.86 -5.281520506e-01 4.88 -5.154926337e-01 4.90 -5.031171371e-01 4.92 -4.897994525e-01 4.94 -4.601977385e-01 4.96 -3.758939492e-01 4.98 -1.956488759e-01 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