# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Purja-Pun-G-P-Mishin-Y--Si # implementation = 2017--Purja-Pun-G-P--Si--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 Si Si 0.02 2.886865645e+03 0.04 2.705060734e+03 0.06 2.534566464e+03 0.08 2.374682898e+03 0.10 2.224753311e+03 0.12 2.084161526e+03 0.14 1.952329413e+03 0.16 1.828714541e+03 0.18 1.712807979e+03 0.20 1.604132227e+03 0.22 1.502239278e+03 0.24 1.406708800e+03 0.26 1.317146425e+03 0.28 1.233182154e+03 0.30 1.154468845e+03 0.32 1.080680810e+03 0.34 1.011512489e+03 0.36 9.466772055e+02 0.38 8.859060057e+02 0.40 8.289465614e+02 0.42 7.755621459e+02 0.44 7.255306702e+02 0.46 6.786437804e+02 0.48 6.347060093e+02 0.50 5.935339815e+02 0.52 5.549556665e+02 0.54 5.188096788e+02 0.56 4.849446205e+02 0.58 4.532184647e+02 0.60 4.234979770e+02 0.62 3.956581723e+02 0.64 3.695818059e+02 0.66 3.451588949e+02 0.68 3.222862699e+02 0.70 3.008671544e+02 0.72 2.808107695e+02 0.74 2.620319636e+02 0.76 2.444508646e+02 0.78 2.279925540e+02 0.80 2.125867601e+02 0.82 1.981675718e+02 0.84 1.846731679e+02 0.86 1.720455654e+02 0.88 1.602303815e+02 0.90 1.491766111e+02 0.92 1.388364182e+02 0.94 1.291649397e+02 0.96 1.201201014e+02 0.98 1.116624459e+02 1.00 1.037549701e+02 1.02 9.636297377e+01 1.04 8.945391688e+01 1.06 8.299728588e+01 1.08 7.696446823e+01 1.10 7.132863472e+01 1.12 6.606462897e+01 1.14 6.114886389e+01 1.16 5.655922436e+01 1.18 5.227497610e+01 1.20 4.827668003e+01 1.22 4.454611198e+01 1.24 4.106618739e+01 1.26 3.782089059e+01 1.28 3.479520851e+01 1.30 3.197506847e+01 1.32 2.934727981e+01 1.34 2.689947911e+01 1.36 2.462007884e+01 1.38 2.249821918e+01 1.40 2.052372274e+01 1.42 1.868705221e+01 1.44 1.697927053e+01 1.46 1.539200355e+01 1.48 1.391740502e+01 1.50 1.254812375e+01 1.52 1.127727274e+01 1.54 1.009840031e+01 1.56 9.005462974e+00 1.58 7.992799950e+00 1.60 7.055109344e+00 1.62 6.187425731e+00 1.64 5.385099165e+00 1.66 4.643775467e+00 1.68 3.959377757e+00 1.70 3.328089109e+00 1.72 2.746336300e+00 1.74 2.210774555e+00 1.76 1.718273242e+00 1.78 1.265902460e+00 1.80 8.509204497e-01 1.82 4.707617924e-01 1.84 1.230263425e-01 1.86 -1.945311562e-01 1.88 -4.840108071e-01 1.90 -7.473766914e-01 1.92 -9.864654324e-01 1.94 -1.202994226e+00 1.96 -1.398568372e+00 1.98 -1.574688337e+00 2.00 -1.732756375e+00 2.02 -1.874082739e+00 2.04 -1.999891505e+00 2.06 -2.111326030e+00 2.08 -2.209454072e+00 2.10 -2.295272589e+00 2.12 -2.369712241e+00 2.14 -2.433641608e+00 2.16 -2.487871146e+00 2.18 -2.533156896e+00 2.20 -2.570203958e+00 2.22 -2.599669750e+00 2.24 -2.622167064e+00 2.26 -2.638266930e+00 2.28 -2.648501295e+00 2.30 -2.653365543e+00 2.32 -2.653320850e+00 2.34 -2.648796393e+00 2.36 -2.640191422e+00 2.38 -2.627877196e+00 2.40 -2.612198805e+00 2.42 -2.593476872e+00 2.44 -2.572009147e+00 2.46 -2.548072004e+00 2.48 -2.521921841e+00 2.50 -2.493796391e+00 2.52 -2.463915951e+00 2.54 -2.432484536e+00 2.56 -2.399675566e+00 2.58 -2.365330294e+00 2.60 -2.328553341e+00 2.62 -2.287796323e+00 2.64 -2.241074958e+00 2.66 -2.186222124e+00 2.68 -2.121152707e+00 2.70 -2.044116176e+00 2.72 -1.953914857e+00 2.74 -1.850069781e+00 2.76 -1.732921213e+00 2.78 -1.603657066e+00 2.80 -1.464268843e+00 2.82 -1.317440858e+00 2.84 -1.166383924e+00 2.86 -1.014628869e+00 2.88 -8.657979910e-01 2.90 -7.233736846e-01 2.92 -5.904828724e-01 2.94 -4.697138670e-01 2.96 -3.629789027e-01 2.98 -2.714313133e-01 3.00 -1.954415073e-01 3.02 -1.346309564e-01 3.04 -8.795878245e-02 3.06 -5.385154920e-02 3.08 -3.036385366e-02 3.10 -1.535545206e-02 3.12 -6.670045123e-03 3.14 -2.301476974e-03 3.16 -5.348537501e-04 3.18 -5.276474994e-05 3.20 -1.248073530e-07 3.22 0.000000000e+00 3.24 0.000000000e+00 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 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