# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-C # implementation = 1989--Tersoff-J--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 9.679632636e+02 1.124911928e+03 1.287075099e+03 0.04 8.947443454e+02 1.052427609e+03 1.218270537e+03 0.06 8.268050182e+02 9.844253873e+02 1.153017493e+03 0.08 7.637745652e+02 9.206346641e+02 1.091136551e+03 0.10 7.053078964e+02 8.608009395e+02 1.032457232e+03 0.12 6.510837943e+02 8.046848643e+02 9.768175566e+02 0.14 6.008032784e+02 7.520613464e+02 9.240636229e+02 0.16 5.541880810e+02 7.027187097e+02 8.740492085e+02 0.18 5.109792275e+02 6.564579023e+02 8.266353906e+02 0.20 4.709357121e+02 6.130917513e+02 7.816901854e+02 0.22 4.338332655e+02 5.724442610e+02 7.390882047e+02 0.24 3.994632050e+02 5.343499528e+02 6.987103297e+02 0.26 3.676313641e+02 4.986532430e+02 6.604434009e+02 0.28 3.381570944e+02 4.652078580e+02 6.241799231e+02 0.30 3.108723361e+02 4.338762835e+02 5.898177845e+02 0.32 2.856207517e+02 4.045292458e+02 5.572599905e+02 0.34 2.622569190e+02 3.770452240e+02 5.264144098e+02 0.36 2.406455790e+02 3.513099904e+02 4.971935333e+02 0.38 2.206609352e+02 3.272161784e+02 4.695142452e+02 0.40 2.021860014e+02 3.046628758e+02 4.432976044e+02 0.42 1.851119931e+02 2.835552414e+02 4.184686377e+02 0.44 1.693377612e+02 2.638041447e+02 3.949561428e+02 0.46 1.547692644e+02 2.453258269e+02 3.726925008e+02 0.48 1.413190777e+02 2.280415815e+02 3.516134979e+02 0.50 1.289059341e+02 2.118774540e+02 3.316581567e+02 0.52 1.174542986e+02 1.967639589e+02 3.127685746e+02 0.54 1.068939706e+02 1.826358140e+02 2.948897711e+02 0.56 9.715971387e+01 1.694316897e+02 2.779695422e+02 0.58 8.819091194e+01 1.570939736e+02 2.619583221e+02 0.60 7.993124720e+01 1.455685490e+02 2.468090518e+02 0.62 7.232840191e+01 1.348045857e+02 2.324770541e+02 0.64 6.533377978e+01 1.247543444e+02 2.189199147e+02 0.66 5.890224675e+01 1.153729914e+02 2.060973692e+02 0.68 5.299188960e+01 1.066184253e+02 1.939711961e+02 0.70 4.756379109e+01 9.845111338e+01 1.825051143e+02 0.72 4.258182071e+01 9.083393758e+01 1.716646862e+02 0.74 3.801243977e+01 8.373205003e+01 1.614172259e+02 0.76 3.382451995e+01 7.711273680e+01 1.517317109e+02 0.78 2.998917440e+01 7.094528985e+01 1.425786995e+02 0.80 2.647960043e+01 6.520088650e+01 1.339302509e+02 0.82 2.327093315e+01 5.985247616e+01 1.257598506e+02 0.84 2.034010919e+01 5.487467365e+01 1.180423384e+02 0.86 1.766573987e+01 5.024365896e+01 1.107538407e+02 0.88 1.522799310e+01 4.593708290e+01 1.038717058e+02 0.90 1.300848354e+01 4.193397837e+01 9.737444262e+01 0.92 1.099017029e+01 3.821467694e+01 9.124166201e+01 0.94 9.157261804e+00 3.476073034e+01 8.545402172e+01 0.96 7.495127257e+00 3.155483667e+01 7.999317344e+01 0.98 5.990214192e+00 2.858077098e+01 7.484171283e+01 1.00 4.629971846e+00 2.582332000e+01 6.998313191e+01 1.02 3.402779824e+00 2.326822072e+01 6.540177381e+01 1.04 2.297881743e+00 2.090210275e+01 6.108278985e+01 1.06 1.305323512e+00 1.871243397e+01 5.701209869e+01 1.08 4.158959177e-01 1.668746954e+01 5.317634752e+01 1.10 -3.789187770e-01 1.481620391e+01 4.956287525e+01 1.12 -1.086996494e+00 1.308832572e+01 4.615967744e+01 1.14 -1.715617523e+00 1.149417541e+01 4.295537304e+01 1.16 -2.271509468e+00 1.002470530e+01 3.993917279e+01 1.18 -2.760887176e+00 8.671442194e+00 3.710084918e+01 1.20 -3.189489856e+00 7.426452095e+00 3.443070790e+01 1.22 -3.562615594e+00 6.282307128e+00 3.191956076e+01 1.24 -3.885153428e+00 5.232054410e+00 2.955869994e+01 1.26 -4.161613163e+00 4.269186812e+00 2.733987348e+01 1.28 -4.396153079e+00 3.387615467e+00 2.525526212e+01 1.30 -4.592605680e+00 2.581643949e+00 2.329745717e+01 1.32 -4.754501616e+00 1.845943996e+00 2.145943956e+01 1.34 -4.885091914e+00 1.175532711e+00 1.973455995e+01 1.36 -4.987368617e+00 5.657511354e-01 1.811651978e+01 1.38 -5.064083971e+00 1.224411427e-02 1.659935332e+01 1.40 -5.117768229e+00 -4.890586107e-01 1.517741063e+01 1.42 -5.150746192e+00 -9.419601680e-01 1.384534134e+01 1.44 -5.165152569e+00 -1.350013243e+00 1.259807924e+01 1.46 -5.162946227e+00 -1.716535751e+00 1.143082772e+01 1.48 -5.145923428e+00 -2.044625560e+00 1.033904584e+01 1.50 -5.115730111e+00 -2.337174311e+00 9.318435200e+00 1.52 -5.073873284e+00 -2.596880404e+00 8.364927401e+00 1.54 -5.021731603e+00 -2.826261185e+00 7.474672170e+00 1.56 -4.960565178e+00 -3.027664393e+00 6.644026085e+00 1.58 -4.891524670e+00 -3.203278903e+00 5.869541867e+00 1.60 -4.815659730e+00 -3.355144817e+00 5.147958210e+00 1.62 -4.733926820e+00 -3.485162926e+00 4.476190133e+00 1.64 -4.647196463e+00 -3.595103604e+00 3.851319814e+00 1.66 -4.556259966e+00 -3.686615145e+00 3.270587895e+00 1.68 -4.461835645e+00 -3.761231591e+00 2.731385225e+00 1.70 -4.364574596e+00 -3.820380075e+00 2.231245024e+00 1.72 -4.265066039e+00 -3.865387714e+00 1.767835444e+00 1.74 -4.163842265e+00 -3.897488075e+00 1.338952511e+00 1.76 -4.061383218e+00 -3.917827234e+00 9.425134253e-01 1.78 -3.958120735e+00 -3.927469470e+00 5.765502026e-01 1.80 -3.854442471e+00 -3.927402595e+00 2.392036408e-01 1.82 -3.709714679e+00 -3.918542961e+00 -7.128240532e-02 1.84 -3.489531747e+00 -3.901740146e+00 -3.565664566e-01 1.86 -3.205760040e+00 -3.877781355e+00 -6.182145640e-01 1.88 -2.872552145e+00 -3.847395540e+00 -8.577051993e-01 1.90 -2.505543513e+00 -3.811257264e+00 -1.076433894e+00 1.92 -2.121028266e+00 -3.769990325e+00 -1.275717643e+00 1.94 -1.735155973e+00 -3.724171144e+00 -1.456799076e+00 1.96 -1.363187101e+00 -3.674331949e+00 -1.620850421e+00 1.98 -1.018839187e+00 -3.620963751e+00 -1.768977260e+00 2.00 -7.137490429e-01 -3.564519130e+00 -1.902222092e+00 2.02 -4.570687617e-01 -3.505414855e+00 -2.021567712e+00 2.04 -2.552055420e-01 -3.444034323e+00 -2.127940413e+00 2.06 -1.117076614e-01 -3.380729851e+00 -2.222213028e+00 2.08 -2.729173648e-02 -3.315824823e+00 -2.305207811e+00 2.10 0.000000000e+00 -3.249615688e+00 -2.377699163e+00 2.12 0.000000000e+00 -3.182373848e+00 -2.440416229e+00 2.14 0.000000000e+00 -3.114347402e+00 -2.494045350e+00 2.16 0.000000000e+00 -3.045762800e+00 -2.539232390e+00 2.18 0.000000000e+00 -2.976826371e+00 -2.576584943e+00 2.20 0.000000000e+00 -2.907725762e+00 -2.606674422e+00 2.22 0.000000000e+00 -2.820726893e+00 -2.630038042e+00 2.24 0.000000000e+00 -2.678609101e+00 -2.647180700e+00 2.26 0.000000000e+00 -2.487234929e+00 -2.658576749e+00 2.28 0.000000000e+00 -2.255863432e+00 -2.664671687e+00 2.30 0.000000000e+00 -1.995056687e+00 -2.665883756e+00 2.32 0.000000000e+00 -1.716139724e+00 -2.662605452e+00 2.34 0.000000000e+00 -1.430655415e+00 -2.655204959e+00 2.36 0.000000000e+00 -1.149839722e+00 -2.644027506e+00 2.38 0.000000000e+00 -8.841402466e-01 -2.629396656e+00 2.40 0.000000000e+00 -6.427975218e-01 -2.611615520e+00 2.42 0.000000000e+00 -4.335044416e-01 -2.590967909e+00 2.44 0.000000000e+00 -2.621546280e-01 -2.567719431e+00 2.46 0.000000000e+00 -1.326858007e-01 -2.542118517e+00 2.48 0.000000000e+00 -4.701948739e-02 -2.514397405e+00 2.50 0.000000000e+00 -5.093937837e-03 -2.484773064e+00 2.52 0.000000000e+00 0.000000000e+00 -2.453448068e+00 2.54 0.000000000e+00 0.000000000e+00 -2.420611427e+00 2.56 0.000000000e+00 0.000000000e+00 -2.386439374e+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 0.000000000e+00 4.28 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