# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2012--Jiang-C-Morgan-D-Szlufarska-I--Si-C # implementation = 2012--Jiang-C--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 9.077918875e+05 5.673074096e+04 3.111539063e+03 0.04 1.275732063e+05 1.355977911e+04 1.219179020e+03 0.06 4.043218426e+04 5.862200531e+03 7.024358532e+02 0.08 1.787397410e+04 3.229243909e+03 4.737428467e+02 0.10 9.480453315e+03 2.030907597e+03 3.482202216e+02 0.12 5.641584209e+03 1.388630663e+03 2.702285512e+02 0.14 3.633926724e+03 1.005674239e+03 2.176767978e+02 0.16 2.480025753e+03 7.595124235e+02 1.801790029e+02 0.18 1.768621922e+03 5.921784602e+02 1.522562372e+02 0.20 1.305580936e+03 4.733985796e+02 1.307649718e+02 0.22 9.908881204e+02 3.861250323e+02 1.137821468e+02 0.24 7.693451786e+02 3.201702794e+02 1.000701840e+02 0.26 6.087433816e+02 2.691462766e+02 8.879924385e+01 0.28 4.894036029e+02 2.288848226e+02 7.939364238e+01 0.30 3.988279071e+02 1.965735733e+02 7.144241312e+01 0.32 3.288128196e+02 1.702600163e+02 6.464491909e+01 0.34 2.738181601e+02 1.485547366e+02 5.877654081e+01 0.36 2.300083129e+02 1.304475133e+02 5.366633403e+01 0.38 1.946691108e+02 1.151897845e+02 4.918207565e+01 0.40 1.658423628e+02 1.022174748e+02 4.522001006e+01 0.42 1.420906290e+02 9.109909957e+01 4.169766630e+01 0.44 1.223421977e+02 8.150011595e+01 3.854872950e+01 0.46 1.057867276e+02 7.315796165e+01 3.571931598e+01 0.48 9.180363874e+01 6.586427395e+01 3.316522547e+01 0.50 7.991211378e+01 5.945202354e+01 3.084988580e+01 0.52 6.973563174e+01 5.378607120e+01 2.874279551e+01 0.54 6.097644330e+01 4.875614575e+01 2.681833011e+01 0.56 5.339695512e+01 4.427155959e+01 2.505481704e+01 0.58 4.680598569e+01 4.025718770e+01 2.343381174e+01 0.60 4.104850221e+01 3.665037660e+01 2.193952602e+01 0.62 3.599787590e+01 3.339854564e+01 2.055837262e+01 0.64 3.154998036e+01 3.045730899e+01 1.927859967e+01 0.66 2.761865321e+01 2.778899333e+01 1.808999500e+01 0.68 2.413217626e+01 2.536145862e+01 1.698364536e+01 0.70 2.103052366e+01 2.314715346e+01 1.595173907e+01 0.72 1.826319449e+01 2.112235306e+01 1.498740328e+01 0.74 1.578749336e+01 1.926654068e+01 1.408456901e+01 0.76 1.356715754e+01 1.756190247e+01 1.323785858e+01 0.78 1.157125377e+01 1.599291273e+01 1.244249135e+01 0.80 9.773286597e+00 1.454599128e+01 1.169420428e+01 0.82 8.150473515e+00 1.320921937e+01 1.098918476e+01 0.84 6.683152725e+00 1.197210261e+01 1.032401356e+01 0.86 5.354296668e+00 1.082537249e+01 9.695616094e+00 0.88 4.149110593e+00 9.760819419e+00 9.101220807e+00 0.90 3.054699773e+00 8.771151648e+00 8.538323288e+00 0.92 2.059792415e+00 7.849875646e+00 8.004655388e+00 0.94 1.154508007e+00 6.991194288e+00 7.498158466e+00 0.96 3.301628795e-01 6.189919874e+00 7.016960166e+00 0.98 -4.208936147e-01 5.441399570e+00 6.559354191e+00 1.00 -1.105417607e+00 4.741451299e+00 6.123782638e+00 1.02 -1.729388230e+00 4.086308426e+00 5.708820519e+00 1.04 -2.298107643e+00 3.472571915e+00 5.313162175e+00 1.06 -2.816286436e+00 2.897168804e+00 4.935609307e+00 1.08 -3.288116771e+00 2.357316084e+00 4.575060408e+00 1.10 -3.717335182e+00 1.850489190e+00 4.230501420e+00 1.12 -4.107276659e+00 1.374394448e+00 3.900997443e+00 1.14 -4.460921334e+00 9.269449191e-01 3.585685366e+00 1.16 -4.780934868e+00 5.062391877e-01 3.283767307e+00 1.18 -5.069703487e+00 1.105426762e-01 2.994504752e+00 1.20 -5.329364422e+00 -2.617288322e-01 2.717213327e+00 1.22 -5.561832419e+00 -6.120237606e-01 2.451258097e+00 1.24 -5.768822856e+00 -9.416676367e-01 2.196049366e+00 1.26 -5.951871952e+00 -1.251874534e+00 1.951038885e+00 1.28 -6.112354439e+00 -1.543757234e+00 1.715716450e+00 1.30 -6.251499054e+00 -1.818336270e+00 1.489606827e+00 1.32 -6.370402133e+00 -2.076547978e+00 1.272266979e+00 1.34 -6.470039539e+00 -2.319251685e+00 1.063283556e+00 1.36 -6.551277166e+00 -2.547236111e+00 8.622706242e-01 1.38 -6.614880176e+00 -2.761225101e+00 6.688676031e-01 1.40 -6.661521143e+00 -2.961882741e+00 4.827373996e-01 1.42 -6.691787252e+00 -3.149817928e+00 3.035647080e-01 1.44 -6.706186662e+00 -3.325588462e+00 1.310544651e-01 1.46 -6.705154172e+00 -3.489704691e+00 -3.506955468e-02 1.48 -6.689056279e+00 -3.642632772e+00 -1.950660202e-01 1.50 -6.658195739e+00 -3.784797575e+00 -3.491772095e-01 1.52 -6.612815731e+00 -3.916585260e+00 -4.976300738e-01 1.54 -6.553103739e+00 -4.038345562e+00 -6.406372062e-01 1.56 -6.479195238e+00 -4.150393816e+00 -7.783977259e-01 1.58 -6.391177347e+00 -4.253012722e+00 -9.110980838e-01 1.60 -6.289092551e+00 -4.346453889e+00 -1.038912796e+00 1.62 -6.172942699e+00 -4.430939167e+00 -1.162005111e+00 1.64 -6.042693465e+00 -4.506661780e+00 -1.280527618e+00 1.66 -5.898279545e+00 -4.573787270e+00 -1.394622796e+00 1.68 -5.739610908e+00 -4.632454268e+00 -1.504423513e+00 1.70 -5.566580532e+00 -4.682775094e+00 -1.610053472e+00 1.72 -5.379074161e+00 -4.724836201e+00 -1.711627621e+00 1.74 -5.176982787e+00 -4.758698460e+00 -1.809252505e+00 1.76 -4.960255385e+00 -4.784397303e+00 -1.903026590e+00 1.78 -4.729051622e+00 -4.801942712e+00 -1.993040542e+00 1.80 -4.483602524e+00 -4.811319087e+00 -2.079377469e+00 1.82 -4.224173322e+00 -4.812484967e+00 -2.162113126e+00 1.84 -3.951101867e+00 -4.805372639e+00 -2.241316086e+00 1.86 -3.664852382e+00 -4.789887635e+00 -2.317047875e+00 1.88 -3.366090495e+00 -4.765908122e+00 -2.389363074e+00 1.90 -3.055786850e+00 -4.733284229e+00 -2.458309381e+00 1.92 -2.735357861e+00 -4.691837320e+00 -2.523927647e+00 1.94 -2.406852952e+00 -4.641359262e+00 -2.586251863e+00 1.96 -2.073196587e+00 -4.581611751e+00 -2.645309124e+00 1.98 -1.738488101e+00 -4.512326436e+00 -2.701119544e+00 2.00 -1.408347699e+00 -4.433252985e+00 -2.753696134e+00 2.02 -1.090263382e+00 -4.344184396e+00 -2.803044637e+00 2.04 -7.938244122e-01 -4.244872822e+00 -2.849163317e+00 2.06 -5.305973421e-01 -4.135019116e+00 -2.892042699e+00 2.08 -3.131882816e-01 -4.014271494e+00 -2.931665251e+00 2.10 -1.527788599e-01 -3.882225864e+00 -2.968005017e+00 2.12 -5.443752512e-02 -3.738429161e+00 -3.001027174e+00 2.14 -1.092395378e-02 -3.582387500e+00 -3.030687531e+00 2.16 -6.392732952e-04 -3.413581596e+00 -3.056931939e+00 2.18 -1.103985609e-06 -3.231492796e+00 -3.079695622e+00 2.20 -1.838785804e-18 -3.035644241e+00 -3.098902410e+00 2.22 0.000000000e+00 -2.825663289e+00 -3.114463861e+00 2.24 0.000000000e+00 -2.601373373e+00 -3.126278269e+00 2.26 0.000000000e+00 -2.362926071e+00 -3.134229532e+00 2.28 0.000000000e+00 -2.110987124e+00 -3.138185876e+00 2.30 0.000000000e+00 -1.846992997e+00 -3.137998403e+00 2.32 0.000000000e+00 -1.573495949e+00 -3.133499457e+00 2.34 0.000000000e+00 -1.294611715e+00 -3.124500779e+00 2.36 0.000000000e+00 -1.016566082e+00 -3.110791434e+00 2.38 0.000000000e+00 -7.482836688e-01 -3.092135472e+00 2.40 0.000000000e+00 -5.018255010e-01 -3.068269331e+00 2.42 0.000000000e+00 -2.921598938e-01 -3.038898930e+00 2.44 0.000000000e+00 -1.350901694e-01 -3.003696464e+00 2.46 0.000000000e+00 -4.127022610e-02 -2.962296895e+00 2.48 0.000000000e+00 -5.300809303e-03 -2.914294174e+00 2.50 0.000000000e+00 -6.475195118e-05 -2.859237244e+00 2.52 0.000000000e+00 -6.050407456e-12 -2.796625980e+00 2.54 0.000000000e+00 0.000000000e+00 -2.725907291e+00 2.56 0.000000000e+00 0.000000000e+00 -2.646503311e+00 2.58 0.000000000e+00 0.000000000e+00 -2.557896328e+00 2.60 0.000000000e+00 0.000000000e+00 -2.459507948e+00 2.62 0.000000000e+00 0.000000000e+00 -2.350655065e+00 2.64 0.000000000e+00 0.000000000e+00 -2.230546377e+00 2.66 0.000000000e+00 0.000000000e+00 -2.098291605e+00 2.68 0.000000000e+00 0.000000000e+00 -1.952935554e+00 2.70 0.000000000e+00 0.000000000e+00 -1.793535041e+00 2.72 0.000000000e+00 0.000000000e+00 -1.619305261e+00 2.74 0.000000000e+00 0.000000000e+00 -1.429874340e+00 2.76 0.000000000e+00 0.000000000e+00 -1.225701514e+00 2.78 0.000000000e+00 0.000000000e+00 -1.008735284e+00 2.80 0.000000000e+00 0.000000000e+00 -7.834066302e-01 2.82 0.000000000e+00 0.000000000e+00 -5.580383088e-01 2.84 0.000000000e+00 0.000000000e+00 -3.465779656e-01 2.86 0.000000000e+00 0.000000000e+00 -1.697656183e-01 2.88 0.000000000e+00 0.000000000e+00 -5.207596900e-02 2.90 0.000000000e+00 0.000000000e+00 -5.094664654e-03 2.92 0.000000000e+00 0.000000000e+00 -6.636834013e-06 2.94 0.000000000e+00 0.000000000e+00 -1.277225217e-81 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 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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 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