# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-I # implementation = Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_003 # 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 1.688911992e+03 1.449494872e+03 1.814637660e+03 0.04 1.546171421e+03 1.351658884e+03 1.709394323e+03 0.06 1.415161042e+03 1.260223719e+03 1.610108554e+03 0.08 1.294928895e+03 1.174777210e+03 1.516447316e+03 0.10 1.184599830e+03 1.094933507e+03 1.428096067e+03 0.12 1.083369330e+03 1.020331407e+03 1.344757734e+03 0.14 9.904978215e+02 9.506327866e+02 1.266151747e+03 0.16 9.053054526e+02 8.855211332e+02 1.192013126e+03 0.18 8.271672812e+02 8.247001716e+02 1.122091620e+03 0.20 7.555088560e+02 7.678925761e+02 1.056150885e+03 0.22 6.898021509e+02 7.148387652e+02 9.939677244e+02 0.24 6.295618265e+02 6.652957723e+02 9.353313515e+02 0.26 5.743417912e+02 6.190361879e+02 8.800427078e+02 0.28 5.237320406e+02 5.758471699e+02 8.279138115e+02 0.30 4.773557493e+02 5.355295151e+02 7.787671443e+02 0.32 4.348665977e+02 4.978967912e+02 7.324350717e+02 0.34 3.959463130e+02 4.627745230e+02 6.887592954e+02 0.36 3.603024089e+02 4.299994307e+02 6.475903358e+02 0.38 3.276661060e+02 3.994187160e+02 6.087870432e+02 0.40 2.977904203e+02 3.708893940e+02 5.722161362e+02 0.42 2.704484054e+02 3.442776680e+02 5.377517653e+02 0.44 2.454315356e+02 3.194583424e+02 5.052751008e+02 0.46 2.225482196e+02 2.963142751e+02 4.746739434e+02 0.48 2.016224338e+02 2.747358627e+02 4.458423566e+02 0.50 1.824924653e+02 2.546205594e+02 4.186803190e+02 0.52 1.650097561e+02 2.358724268e+02 3.930933962e+02 0.54 1.490378410e+02 2.184017113e+02 3.689924304e+02 0.56 1.344513700e+02 2.021244492e+02 3.462932479e+02 0.58 1.211352099e+02 1.869620965e+02 3.249163820e+02 0.60 1.089836188e+02 1.728411826e+02 3.047868116e+02 0.62 9.789948602e+01 1.596929854e+02 2.858337146e+02 0.64 8.779363393e+01 1.474532281e+02 2.679902341e+02 0.66 7.858417606e+01 1.360617939e+02 2.511932582e+02 0.68 7.019592664e+01 1.254624602e+02 2.353832120e+02 0.70 6.255985786e+01 1.156026492e+02 2.205038608e+02 0.72 5.561260095e+01 1.064331937e+02 2.065021243e+02 0.74 4.929598736e+01 9.790811909e+01 1.933279009e+02 0.76 4.355662706e+01 8.998443841e+01 1.809339025e+02 0.78 3.834552075e+01 8.262196047e+01 1.692754974e+02 0.80 3.361770348e+01 7.578311058e+01 1.583105627e+02 0.82 2.933191690e+01 6.943276238e+01 1.479993443e+02 0.84 2.545030804e+01 6.353808059e+01 1.383043252e+02 0.86 2.193815244e+01 5.806837367e+01 1.291901008e+02 0.88 1.876359954e+01 5.299495598e+01 1.206232609e+02 0.90 1.589743873e+01 4.829101861e+01 1.125722789e+02 0.92 1.331288427e+01 4.393150861e+01 1.050074064e+02 0.94 1.098537759e+01 3.989301580e+01 9.790057405e+01 0.96 8.892405594e+00 3.615366686e+01 9.122529795e+01 0.98 7.013333640e+00 3.269302623e+01 8.495659106e+01 1.00 5.329252048e+00 2.949200327e+01 7.907087957e+01 1.02 3.822835031e+00 2.653276540e+01 7.354592397e+01 1.04 2.478211046e+00 2.379865679e+01 6.836074443e+01 1.06 1.280843650e+00 2.127412222e+01 6.349555041e+01 1.08 2.174220087e-01 1.894463590e+01 5.893167408e+01 1.10 -7.242397145e-01 1.679663472e+01 5.465150749e+01 1.12 -1.555294810e+00 1.481745589e+01 5.063844327e+01 1.14 -2.285948971e+00 1.299527851e+01 4.687681856e+01 1.16 -2.925538341e+00 1.131906892e+01 4.335186205e+01 1.18 -3.482601229e+00 9.778529538e+00 4.004964404e+01 1.20 -3.964943985e+00 8.364050969e+00 3.695702923e+01 1.22 -4.379701527e+00 7.066667229e+00 3.406163211e+01 1.24 -4.733392934e+00 5.878013804e+00 3.135177489e+01 1.26 -5.031972522e+00 4.790288425e+00 2.881644771e+01 1.28 -5.280876744e+00 3.796214356e+00 2.644527113e+01 1.30 -5.485067281e+00 2.889006052e+00 2.422846068e+01 1.32 -5.649070604e+00 2.062337017e+00 2.215679335e+01 1.34 -5.777014310e+00 1.310309742e+00 2.022157601e+01 1.36 -5.872660491e+00 6.274275698e-01 1.841461554e+01 1.38 -5.939436365e+00 8.568384260e-03 1.672819066e+01 1.40 -5.980462410e+00 -5.510400133e-01 1.515502531e+01 1.42 -5.998578180e+00 -1.055842931e+00 1.368826351e+01 1.44 -5.996366015e+00 -1.509980330e+00 1.232144566e+01 1.46 -5.976172795e+00 -1.917306973e+00 1.104848611e+01 1.48 -5.940129909e+00 -2.281411271e+00 9.863652049e+00 1.50 -5.890171582e+00 -2.605632910e+00 8.761543486e+00 1.52 -5.828051691e+00 -2.893079335e+00 7.737074440e+00 1.54 -5.755359188e+00 -3.146641170e+00 6.785455123e+00 1.56 -5.673532262e+00 -3.369006627e+00 5.902175142e+00 1.58 -5.583871312e+00 -3.562674992e+00 5.082987636e+00 1.60 -5.487550863e+00 -3.729969226e+00 4.323894304e+00 1.62 -5.385630478e+00 -3.873047751e+00 3.621131269e+00 1.64 -5.279064777e+00 -3.993915464e+00 2.971155732e+00 1.66 -5.168712607e+00 -4.094434040e+00 2.370633381e+00 1.68 -5.055345462e+00 -4.176331558e+00 1.816426503e+00 1.70 -4.939655190e+00 -4.241211497e+00 1.305582757e+00 1.72 -4.822261060e+00 -4.290561151e+00 8.353245880e-01 1.74 -4.703716228e+00 -4.325759487e+00 4.030392286e-01 1.76 -4.584513675e+00 -4.348084491e+00 6.269263967e-03 1.78 -4.465091628e+00 -4.358720031e+00 -3.572962718e-01 1.80 -4.345838532e+00 -4.358762272e+00 -6.898302987e-01 1.82 -4.227097602e+00 -4.349225666e+00 -9.933756211e-01 1.84 -4.109170984e+00 -4.331048552e+00 -1.269852411e+00 1.86 -3.981388380e+00 -4.305098380e+00 -1.521065268e+00 1.88 -3.781914735e+00 -4.272176599e+00 -1.748709887e+00 1.90 -3.510703033e+00 -4.233023215e+00 -1.954379340e+00 1.92 -3.181603239e+00 -4.188321051e+00 -2.139570011e+00 1.94 -2.810305623e+00 -4.138699723e+00 -2.305687193e+00 1.96 -2.413504339e+00 -4.084739353e+00 -2.454050367e+00 1.98 -2.008068195e+00 -4.026974034e+00 -2.585898186e+00 2.00 -1.610257310e+00 -3.965895068e+00 -2.702393172e+00 2.02 -1.235019389e+00 -3.901953982e+00 -2.804626148e+00 2.04 -8.953931083e-01 -3.835565345e+00 -2.893620424e+00 2.06 -6.020390714e-01 -3.767109400e+00 -2.970335738e+00 2.08 -3.629113052e-01 -3.696934514e+00 -3.035671976e+00 2.10 -1.830747759e-01 -3.625359464e+00 -3.090472683e+00 2.12 -6.466718924e-02 -3.552675576e+00 -3.135528367e+00 2.14 -6.996769833e-03 -3.479148709e+00 -3.171579627e+00 2.16 0.000000000e+00 -3.405021112e+00 -3.199320088e+00 2.18 0.000000000e+00 -3.330513153e+00 -3.219399180e+00 2.20 0.000000000e+00 -3.255824929e+00 -3.232424752e+00 2.22 0.000000000e+00 -3.161555229e+00 -3.238965539e+00 2.24 0.000000000e+00 -3.030591346e+00 -3.239553488e+00 2.26 0.000000000e+00 -2.867150178e+00 -3.234685949e+00 2.28 0.000000000e+00 -2.676117914e+00 -3.224827741e+00 2.30 0.000000000e+00 -2.462881580e+00 -3.210413102e+00 2.32 0.000000000e+00 -2.233155852e+00 -3.191847521e+00 2.34 0.000000000e+00 -1.992810413e+00 -3.169509468e+00 2.36 0.000000000e+00 -1.747702723e+00 -3.143752029e+00 2.38 0.000000000e+00 -1.503520627e+00 -3.114904435e+00 2.40 0.000000000e+00 -1.265638636e+00 -3.083273516e+00 2.42 0.000000000e+00 -1.038991073e+00 -3.049145059e+00 2.44 0.000000000e+00 -8.279645961e-01 -3.012785096e+00 2.46 0.000000000e+00 -6.363118982e-01 -2.974441112e+00 2.48 0.000000000e+00 -4.670876653e-01 -2.934343185e+00 2.50 0.000000000e+00 -3.226071929e-01 -2.892705061e+00 2.52 0.000000000e+00 -2.044273945e-01 -2.849725160e+00 2.54 0.000000000e+00 -1.133493375e-01 -2.805587535e+00 2.56 0.000000000e+00 -4.944090259e-02 -2.760462760e+00 2.58 0.000000000e+00 -1.207770054e-02 -2.714508777e+00 2.60 0.000000000e+00 0.000000000e+00 -2.667871693e+00 2.62 0.000000000e+00 0.000000000e+00 -2.620686521e+00 2.64 0.000000000e+00 0.000000000e+00 -2.573077888e+00 2.66 0.000000000e+00 0.000000000e+00 -2.525160693e+00 2.68 0.000000000e+00 0.000000000e+00 -2.477040733e+00 2.70 0.000000000e+00 0.000000000e+00 -2.398367552e+00 2.72 0.000000000e+00 0.000000000e+00 -2.262698212e+00 2.74 0.000000000e+00 0.000000000e+00 -2.077969850e+00 2.76 0.000000000e+00 0.000000000e+00 -1.854319509e+00 2.78 0.000000000e+00 0.000000000e+00 -1.603466301e+00 2.80 0.000000000e+00 0.000000000e+00 -1.338037501e+00 2.82 0.000000000e+00 0.000000000e+00 -1.070876897e+00 2.84 0.000000000e+00 0.000000000e+00 -8.143727703e-01 2.86 0.000000000e+00 0.000000000e+00 -5.798400207e-01 2.88 0.000000000e+00 0.000000000e+00 -3.769863662e-01 2.90 0.000000000e+00 0.000000000e+00 -2.134866188e-01 2.92 0.000000000e+00 0.000000000e+00 -9.468214320e-02 2.94 0.000000000e+00 0.000000000e+00 -2.341516218e-02 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 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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