# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1998--Devanathan-R-Diaz-de-la-Rubia-T-Weber-W-J--Si-C # implementation = 1998--Devanathan-R--Si-C--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 C C C Si Si Si 0.02 2.242922790e+04 5.156985543e+04 1.185886075e+05 0.04 9.834071280e+03 2.234007085e+04 5.077423043e+04 0.06 5.811661387e+03 1.306869354e+04 2.941237422e+04 0.08 3.897689687e+03 8.686829797e+03 1.938313178e+04 0.10 2.807856955e+03 6.207304980e+03 1.374218650e+04 0.12 2.118863278e+03 4.648711447e+03 1.021594756e+04 0.14 1.652076069e+03 3.598426367e+03 7.852119332e+03 0.16 1.319835521e+03 2.854720930e+03 6.186812566e+03 0.18 1.074452207e+03 2.308228400e+03 4.969330899e+03 0.20 8.879430851e+02 1.894969246e+03 4.053410487e+03 0.22 7.429033613e+02 1.575252570e+03 3.348519304e+03 0.24 6.279929584e+02 1.323275290e+03 2.795920277e+03 0.26 5.355372696e+02 1.121609513e+03 2.356017343e+03 0.28 4.601754934e+02 9.581049088e+02 2.001260035e+03 0.30 3.980617465e+02 8.240618169e+02 1.711965350e+03 0.32 3.463734148e+02 7.131087958e+02 1.473753398e+03 0.34 3.029979145e+02 6.204883313e+02 1.275916601e+03 0.36 2.663270197e+02 5.425881955e+02 1.110350146e+03 0.38 2.351181985e+02 4.766256449e+02 9.708314636e+02 0.40 2.083989125e+02 4.204295374e+02 8.525232613e+02 0.42 1.853991782e+02 3.722868367e+02 7.516235891e+02 0.44 1.655031505e+02 3.308324548e+02 6.651148863e+02 0.46 1.482137759e+02 2.949688779e+02 5.905810721e+02 0.48 1.331265970e+02 2.638066510e+02 5.260722994e+02 0.50 1.199100707e+02 2.366197214e+02 4.700036610e+02 0.52 1.082905972e+02 2.128115289e+02 4.210784492e+02 0.54 9.804100067e+01 1.918889795e+02 3.782294209e+02 0.56 8.897157118e+01 1.734422725e+02 3.405734289e+02 0.58 8.092302712e+01 1.571291254e+02 3.073760912e+02 0.60 7.376093056e+01 1.426623321e+02 2.780240768e+02 0.62 6.737120884e+01 1.297998735e+02 2.520032270e+02 0.64 6.165652198e+01 1.183369909e+02 2.288811821e+02 0.66 5.653327700e+01 1.080997763e+02 2.082935118e+02 0.68 5.192913581e+01 9.893993630e+01 1.899325770e+02 0.70 4.778089767e+01 9.073045547e+01 1.735385134e+02 0.72 4.403266674e+01 8.336194136e+01 1.588918361e+02 0.74 4.063424271e+01 7.673947254e+01 1.458072292e+02 0.76 3.753970551e+01 7.077980566e+01 1.341281165e+02 0.78 3.470620602e+01 6.540883593e+01 1.237216179e+02 0.80 3.209302907e+01 6.055925736e+01 1.144735077e+02 0.82 2.966105741e+01 5.616844553e+01 1.062828508e+02 0.84 2.737282012e+01 5.217669249e+01 9.905615080e+01 0.86 2.519331596e+01 4.852604431e+01 9.270118464e+01 0.88 2.309170329e+01 4.516007733e+01 8.712122221e+01 0.90 2.104369440e+01 4.202490739e+01 8.221091886e+01 0.92 1.903410557e+01 3.907146319e+01 7.785548606e+01 0.94 1.705865925e+01 3.625857123e+01 7.393433573e+01 0.96 1.512408662e+01 3.355588478e+01 7.032904124e+01 0.98 1.324604200e+01 3.094549280e+01 6.693360122e+01 1.00 1.144519261e+01 2.842142080e+01 6.366371188e+01 1.02 9.742619030e+00 2.598706700e+01 6.046201042e+01 1.04 8.155872285e+00 2.365142318e+01 5.729799708e+01 1.06 6.696598177e+00 2.142524797e+01 5.416347715e+01 1.08 5.369906439e+00 1.931810912e+01 5.106567560e+01 1.10 4.175075673e+00 1.733667029e+01 4.802024634e+01 1.12 3.106959677e+00 1.548411602e+01 4.504563177e+01 1.14 2.157540071e+00 1.376036223e+01 4.215929521e+01 1.16 1.317282000e+00 1.216267231e+01 3.937568127e+01 1.18 5.761535468e-01 1.068639076e+01 3.670545782e+01 1.20 -7.569549306e-02 9.325623960e+00 3.415555823e+01 1.22 -6.475349407e-01 8.073793432e+00 3.172963826e+01 1.24 -1.147858236e+00 6.924046462e+00 2.942868837e+01 1.26 -1.584319250e+00 5.869539619e+00 2.725165110e+01 1.28 -1.963748278e+00 4.903621296e+00 2.519596957e+01 1.30 -2.292210046e+00 4.019939946e+00 2.325804034e+01 1.32 -2.575079925e+00 3.212500684e+00 2.143356966e+01 1.34 -2.817124201e+00 2.475687685e+00 1.971784405e+01 1.36 -3.022576718e+00 1.804265053e+00 1.810592994e+01 1.38 -3.195208222e+00 1.193364903e+00 1.659281760e+01 1.40 -3.338387153e+00 6.384684615e-01 1.517352223e+01 1.42 -3.455131940e+00 1.353839347e-01 1.384315331e+01 1.44 -3.548155470e+00 -3.197765641e-01 1.259696043e+01 1.46 -3.619902740e+00 -7.306196738e-01 1.143036229e+01 1.48 -3.672582668e+00 -1.100492302e+00 1.033896364e+01 1.50 -3.708195027e+00 -1.432501648e+00 9.318563789e+00 1.52 -3.728553349e+00 -1.729533622e+00 8.365159210e+00 1.54 -3.735304502e+00 -1.994269674e+00 7.474942177e+00 1.56 -3.729945532e+00 -2.229202129e+00 6.644296764e+00 1.58 -3.713838271e+00 -2.436648151e+00 5.869793126e+00 1.60 -3.688222085e+00 -2.618762473e+00 5.148180742e+00 1.62 -3.654225094e+00 -2.777549011e+00 4.476381069e+00 1.64 -3.612874113e+00 -2.914871502e+00 3.851479932e+00 1.66 -3.565103504e+00 -3.032463265e+00 3.270719865e+00 1.68 -3.511763129e+00 -3.131936176e+00 2.731492530e+00 1.70 -3.453625509e+00 -3.214788953e+00 2.231331325e+00 1.72 -3.391392309e+00 -3.282414811e+00 1.767904232e+00 1.74 -3.325700233e+00 -3.336108565e+00 1.339006929e+00 1.76 -3.257126397e+00 -3.377073209e+00 9.425562001e-01 1.78 -3.186193244e+00 -3.406426047e+00 5.765836405e-01 1.80 -3.113373046e+00 -3.425204396e+00 2.392296547e-01 1.82 -3.005886224e+00 -3.434370902e+00 -7.126225217e-02 1.84 -2.835619820e+00 -3.434818501e+00 -3.565509020e-01 1.86 -2.611898864e+00 -3.427375056e+00 -6.182025986e-01 1.88 -2.346074004e+00 -3.412807682e+00 -8.576960224e-01 1.90 -2.050857596e+00 -3.391826798e+00 -1.076426875e+00 1.92 -1.739633369e+00 -3.365089908e+00 -1.275712287e+00 1.94 -1.425776350e+00 -3.333205148e+00 -1.456794998e+00 1.96 -1.122016461e+00 -3.296734594e+00 -1.620847323e+00 1.98 -8.398744763e-01 -3.256197369e+00 -1.768974911e+00 2.00 -5.891932547e-01 -3.212072538e+00 -1.902220314e+00 2.02 -3.777806771e-01 -3.164801833e+00 -2.021566368e+00 2.04 -2.111739644e-01 -3.114792188e+00 -2.127939399e+00 2.06 -9.252830553e-02 -3.062418121e+00 -2.222212264e+00 2.08 -2.262640972e-02 -3.008023961e+00 -2.305207235e+00 2.10 0.000000000e+00 -2.951925932e+00 -2.377698730e+00 2.12 0.000000000e+00 -2.894414100e+00 -2.440415904e+00 2.14 0.000000000e+00 -2.835754197e+00 -2.494045107e+00 2.16 0.000000000e+00 -2.776189329e+00 -2.539232208e+00 2.18 0.000000000e+00 -2.715941566e+00 -2.576584806e+00 2.20 0.000000000e+00 -2.655213442e+00 -2.606674320e+00 2.22 0.000000000e+00 -2.587083718e+00 -2.630037966e+00 2.24 0.000000000e+00 -2.471048974e+00 -2.647180643e+00 2.26 0.000000000e+00 -2.306321310e+00 -2.658576706e+00 2.28 0.000000000e+00 -2.101308415e+00 -2.664671655e+00 2.30 0.000000000e+00 -1.865851150e+00 -2.665883733e+00 2.32 0.000000000e+00 -1.610692013e+00 -2.662605434e+00 2.34 0.000000000e+00 -1.346929796e+00 -2.655204946e+00 2.36 0.000000000e+00 -1.085487471e+00 -2.644027496e+00 2.38 0.000000000e+00 -8.366179954e-01 -2.629396649e+00 2.40 0.000000000e+00 -6.094693614e-01 -2.611615514e+00 2.42 0.000000000e+00 -4.117260343e-01 -2.590967905e+00 2.44 0.000000000e+00 -2.493391823e-01 -2.567719428e+00 2.46 0.000000000e+00 -1.263530901e-01 -2.542118515e+00 2.48 0.000000000e+00 -4.483010121e-02 -2.514397403e+00 2.50 0.000000000e+00 -4.871614218e-03 -2.484773063e+00 2.52 0.000000000e+00 0.000000000e+00 -2.453448067e+00 2.54 0.000000000e+00 0.000000000e+00 -2.420611427e+00 2.56 0.000000000e+00 0.000000000e+00 -2.386439373e+00 2.58 0.000000000e+00 0.000000000e+00 -2.351096100e+00 2.60 0.000000000e+00 0.000000000e+00 -2.314734465e+00 2.62 0.000000000e+00 0.000000000e+00 -2.277496653e+00 2.64 0.000000000e+00 0.000000000e+00 -2.239514807e+00 2.66 0.000000000e+00 0.000000000e+00 -2.200911620e+00 2.68 0.000000000e+00 0.000000000e+00 -2.161800895e+00 2.70 0.000000000e+00 0.000000000e+00 -2.122288077e+00 2.72 0.000000000e+00 0.000000000e+00 -2.059717265e+00 2.74 0.000000000e+00 0.000000000e+00 -1.954150067e+00 2.76 0.000000000e+00 0.000000000e+00 -1.811076101e+00 2.78 0.000000000e+00 0.000000000e+00 -1.637466850e+00 2.80 0.000000000e+00 0.000000000e+00 -1.441394290e+00 2.82 0.000000000e+00 0.000000000e+00 -1.231614701e+00 2.84 0.000000000e+00 0.000000000e+00 -1.017138953e+00 2.86 0.000000000e+00 0.000000000e+00 -8.068101531e-01 2.88 0.000000000e+00 0.000000000e+00 -6.089081616e-01 2.90 0.000000000e+00 0.000000000e+00 -4.307981954e-01 2.92 0.000000000e+00 0.000000000e+00 -2.786378316e-01 2.94 0.000000000e+00 0.000000000e+00 -1.571532214e-01 2.96 0.000000000e+00 0.000000000e+00 -6.949153893e-02 2.98 0.000000000e+00 0.000000000e+00 -1.715275994e-02 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 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