# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2014--Kang-K-H-Eun-T-Jun-M-C-Lee-B-J--Si-C # implementation = 2014--Kang-K-H--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 2024-11-27 r C C C Si Si Si 0.02 4.562961671e+02 9.663661601e+02 1.155693066e+03 0.04 4.191711883e+02 9.040826480e+02 1.096476763e+03 0.06 3.849899188e+02 8.455671406e+02 1.040170478e+03 0.08 3.535212931e+02 7.906081406e+02 9.866352568e+02 0.10 3.245521264e+02 7.390051455e+02 9.357386394e+02 0.12 2.978857751e+02 6.905681014e+02 8.873543656e+02 0.14 2.733408882e+02 6.451168850e+02 8.413620886e+02 0.16 2.507502480e+02 6.024808148e+02 7.976471019e+02 0.18 2.299596923e+02 5.624981871e+02 7.561000803e+02 0.20 2.108271140e+02 5.250158373e+02 7.166168306e+02 0.22 1.932215336e+02 4.898887235e+02 6.790980556e+02 0.24 1.770222386e+02 4.569795306e+02 6.434491272e+02 0.26 1.621179873e+02 4.261582953e+02 6.095798713e+02 0.28 1.484062711e+02 3.973020483e+02 5.774043610e+02 0.30 1.357926329e+02 3.702944751e+02 5.468407209e+02 0.32 1.241900360e+02 3.450255912e+02 5.178109389e+02 0.34 1.135182817e+02 3.213914341e+02 4.902406871e+02 0.36 1.037034711e+02 2.992937684e+02 4.640591515e+02 0.38 9.467750874e+01 2.786398051e+02 4.391988684e+02 0.40 8.637764424e+01 2.593419323e+02 4.155955690e+02 0.42 7.874604980e+01 2.413174593e+02 3.931880311e+02 0.44 7.172943099e+01 2.244883706e+02 3.719179371e+02 0.46 6.527866757e+01 2.087810912e+02 3.517297391e+02 0.48 5.934848337e+01 1.941262619e+02 3.325705299e+02 0.50 5.389714158e+01 1.804585239e+02 3.143899197e+02 0.52 4.888616498e+01 1.677163125e+02 2.971399190e+02 0.54 4.428007793e+01 1.558416598e+02 2.807748262e+02 0.56 4.004616939e+01 1.447800050e+02 2.652511212e+02 0.58 3.615427485e+01 1.344800126e+02 2.505273631e+02 0.60 3.257657584e+01 1.248933983e+02 2.365640929e+02 0.62 2.928741583e+01 1.159747612e+02 2.233237411e+02 0.64 2.626313091e+01 1.076814227e+02 2.107705386e+02 0.66 2.348189453e+01 9.997327232e+01 1.988704328e+02 0.68 2.092357484e+01 9.281261754e+01 1.875910067e+02 0.70 1.856960406e+01 8.616404068e+01 1.769014023e+02 0.72 1.640285851e+01 7.999425945e+01 1.667722471e+02 0.74 1.440754902e+01 7.427199262e+01 1.571755845e+02 0.76 1.256912049e+01 6.896782931e+01 1.480848069e+02 0.78 1.087416027e+01 6.405410230e+01 1.394745921e+02 0.80 9.310314464e+00 5.950476435e+01 1.313208429e+02 0.82 7.866211775e+00 5.529526774e+01 1.236006291e+02 0.84 6.531394218e+00 5.140244656e+01 1.162921322e+02 0.86 5.296254208e+00 4.780440175e+01 1.093745934e+02 0.88 4.151977640e+00 4.448038919e+01 1.028282626e+02 0.90 3.090492309e+00 4.141071101e+01 9.663435145e+01 0.92 2.104421439e+00 3.857661117e+01 9.077498712e+01 0.94 1.187041631e+00 3.596017632e+01 8.523316912e+01 0.96 3.322449912e-01 3.354424382e+01 7.999272781e+01 0.98 -4.654952246e-01 3.131231925e+01 7.503828485e+01 1.00 -1.211155804e+00 2.924850637e+01 7.035521555e+01 1.02 -1.909192222e+00 2.733745323e+01 6.592961295e+01 1.04 -2.563565226e+00 2.556431862e+01 6.174825356e+01 1.06 -3.177765960e+00 2.391476334e+01 5.779856478e+01 1.08 -3.754840215e+00 2.237497079e+01 5.406859369e+01 1.10 -4.297412393e+00 2.093170070e+01 5.054697750e+01 1.12 -4.807709799e+00 1.957237812e+01 4.722291517e+01 1.14 -5.287587801e+00 1.828521760e+01 4.408614059e+01 1.16 -5.738556400e+00 1.705937808e+01 4.112689680e+01 1.18 -6.161808602e+00 1.588513963e+01 3.833591155e+01 1.20 -6.558250944e+00 1.475408729e+01 3.570437399e+01 1.22 -6.928536292e+00 1.365928210e+01 3.322391244e+01 1.24 -7.273098931e+00 1.259539531e+01 3.088657321e+01 1.26 -7.592191724e+00 1.155878050e+01 2.868480040e+01 1.28 -7.885924896e+00 1.054746044e+01 2.661141678e+01 1.30 -8.154305861e+00 9.561011540e+00 2.465960553e+01 1.32 -8.397279224e+00 8.600339238e+00 2.282289318e+01 1.34 -8.614766052e+00 7.667349938e+00 2.109513372e+01 1.36 -8.806701315e+00 6.764539634e+00 1.947049451e+01 1.38 -8.973068439e+00 5.894532366e+00 1.794344440e+01 1.40 -9.113929915e+00 5.059612271e+00 1.650874514e+01 1.42 -9.229453040e+00 4.261298905e+00 1.516144675e+01 1.44 -9.319930058e+00 3.500015876e+00 1.389688765e+01 1.46 -9.385792184e+00 2.774897116e+00 1.271069919e+01 1.48 -9.427617310e+00 2.083763875e+00 1.159881312e+01 1.50 -9.446131449e+00 1.423289602e+00 1.055746836e+01 1.52 -9.442204276e+00 7.893504628e-01 9.583211797e+00 1.54 -9.416839382e+00 1.775372661e-01 8.672885642e+00 1.56 -9.371160047e+00 -4.162195060e-01 7.823593218e+00 1.58 -9.306391509e+00 -9.949848657e-01 7.032635009e+00 1.60 -9.223840759e+00 -1.560211850e+00 6.297408601e+00 1.62 -9.124874922e+00 -2.111304836e+00 5.615269688e+00 1.64 -9.010899231e+00 -2.645466615e+00 4.983356561e+00 1.66 -8.883335496e+00 -3.157912354e+00 4.398387701e+00 1.68 -8.743601843e+00 -3.642468099e+00 3.856450521e+00 1.70 -8.593094314e+00 -4.092476599e+00 3.352808500e+00 1.72 -8.433170795e+00 -4.501836656e+00 2.881762592e+00 1.74 -8.265137505e+00 -4.865944870e+00 2.436610009e+00 1.76 -8.090238183e+00 -5.182324888e+00 2.009747655e+00 1.78 -7.909645939e+00 -5.450822233e+00 1.592968074e+00 1.80 -7.724457640e+00 -5.673375211e+00 1.177990647e+00 1.82 -7.535690599e+00 -5.853487186e+00 7.572571327e-01 1.84 -7.344281310e+00 -5.995578443e+00 3.249916749e-01 1.86 -7.151085889e+00 -6.104379653e+00 -1.215298858e-01 1.88 -6.956881931e+00 -6.184468572e+00 -5.806507498e-01 1.90 -6.762371438e+00 -6.239982914e+00 -1.045231904e+00 1.92 -6.568184544e+00 -6.274491264e+00 -1.502225135e+00 1.94 -6.374883762e+00 -6.290978879e+00 -1.933463232e+00 1.96 -6.182968533e+00 -6.291901821e+00 -2.318097665e+00 1.98 -5.992879890e+00 -6.279271594e+00 -2.636642952e+00 2.00 -5.805005092e+00 -6.254744989e+00 -2.875778290e+00 2.02 -5.619682125e+00 -6.219705169e+00 -3.032279939e+00 2.04 -5.437203982e+00 -6.175328222e+00 -3.114348934e+00 2.06 -5.257822701e+00 -6.122634384e+00 -3.139545217e+00 2.08 -5.081753113e+00 -6.062525655e+00 -3.130125705e+00 2.10 -4.909176309e+00 -5.995812480e+00 -3.107749639e+00 2.12 -4.740242826e+00 -5.923232179e+00 -3.089488825e+00 2.14 -4.575075569e+00 -5.845461473e+00 -3.086069373e+00 2.16 -4.413772488e+00 -5.763124952e+00 -3.102126071e+00 2.18 -4.256409019e+00 -5.676800849e+00 -3.137631300e+00 2.20 -4.103040325e+00 -5.587025109e+00 -3.189646566e+00 2.22 -3.953703343e+00 -5.494294395e+00 -3.253850057e+00 2.24 -3.808418659e+00 -5.399068476e+00 -3.325625153e+00 2.26 -3.667192224e+00 -5.301772274e+00 -3.400713137e+00 2.28 -3.530016927e+00 -5.202797720e+00 -3.475529240e+00 2.30 -3.396874035e+00 -5.102505527e+00 -3.547257128e+00 2.32 -3.267734509e+00 -5.001226907e+00 -3.613816720e+00 2.34 -3.142560214e+00 -4.899265273e+00 -3.673771196e+00 2.36 -3.021305020e+00 -4.796897906e+00 -3.726213633e+00 2.38 -2.903915807e+00 -4.694377595e+00 -3.770655423e+00 2.40 -2.790333388e+00 -4.591934232e+00 -3.806926939e+00 2.42 -2.680493347e+00 -4.489776360e+00 -3.835094101e+00 2.44 -2.574326800e+00 -4.388092652e+00 -3.855390923e+00 2.46 -2.471761091e+00 -4.287053322e+00 -3.868166442e+00 2.48 -2.372720420e+00 -4.186811470e+00 -3.873843845e+00 2.50 -2.277126419e+00 -4.087504331e+00 -3.872889574e+00 2.52 -2.184898666e+00 -3.989254454e+00 -3.865790399e+00 2.54 -2.095955155e+00 -3.892170803e+00 -3.853036751e+00 2.56 -2.010212716e+00 -3.796349769e+00 -3.835110905e+00 2.58 -1.927587396e+00 -3.701876112e+00 -3.812478889e+00 2.60 -1.847994800e+00 -3.608823836e+00 -3.785585218e+00 2.62 -1.771350396e+00 -3.517256987e+00 -3.754849741e+00 2.64 -1.697569787e+00 -3.427230400e+00 -3.720666040e+00 2.66 -1.626568958e+00 -3.338790387e+00 -3.683400967e+00 2.68 -1.558264485e+00 -3.251975373e+00 -3.643394946e+00 2.70 -1.492573730e+00 -3.166816496e+00 -3.600962823e+00 2.72 -1.429415007e+00 -3.083338161e+00 -3.556395039e+00 2.74 -1.368707727e+00 -3.001558571e+00 -3.509958993e+00 2.76 -1.310372527e+00 -2.921490220e+00 -3.461900496e+00 2.78 -1.254331380e+00 -2.843140367e+00 -3.412445243e+00 2.80 -1.200507686e+00 -2.766511489e+00 -3.361800245e+00 2.82 -1.148826353e+00 -2.691601710e+00 -3.310155214e+00 2.84 -1.099213862e+00 -2.618405216e+00 -3.257683868e+00 2.86 -1.051598325e+00 -2.546912647e+00 -3.204545152e+00 2.88 -1.005909521e+00 -2.477111475e+00 -3.150884383e+00 2.90 -9.620789369e-01 -2.408986362e+00 -3.096834305e+00 2.92 -9.200397878e-01 -2.342519493e+00 -3.042516072e+00 2.94 -8.797270351e-01 -2.277690895e+00 -2.988040152e+00 2.96 -8.410773960e-01 -2.214478728e+00 -2.933507170e+00 2.98 -8.040293469e-01 -2.152859556e+00 -2.879008675e+00 3.00 -7.685231209e-01 -2.092808593e+00 -2.824627853e+00 3.02 -7.345006999e-01 -2.034299928e+00 -2.770440189e+00 3.04 -7.019058031e-01 -1.977306723e+00 -2.716514067e+00 3.06 -6.706838706e-01 -1.921801394e+00 -2.662911332e+00 3.08 -6.407820439e-01 -1.867755768e+00 -2.609687801e+00 3.10 -6.121491433e-01 -1.815141222e+00 -2.556893741e+00 3.12 -5.847356427e-01 -1.763928809e+00 -2.504574300e+00 3.14 -5.584936419e-01 -1.714089359e+00 -2.452769912e+00 3.16 -5.333768372e-01 -1.665593582e+00 -2.401516671e+00 3.18 -5.093404898e-01 -1.618412144e+00 -2.350846664e+00 3.20 -4.863413936e-01 -1.572515744e+00 -2.300788295e+00 3.22 -4.643378415e-01 -1.527875176e+00 -2.251366572e+00 3.24 -4.432895900e-01 -1.484461388e+00 -2.202603374e+00 3.26 -4.231578248e-01 -1.442245533e+00 -2.154517700e+00 3.28 -4.039051242e-01 -1.401199009e+00 -2.107125895e+00 3.30 -3.854954228e-01 -1.361293504e+00 -2.060441866e+00 3.32 -3.678939755e-01 -1.322501026e+00 -2.014477273e+00 3.34 -3.510673207e-01 -1.284793936e+00 -1.969241707e+00 3.36 -3.349832434e-01 -1.248144974e+00 -1.924742864e+00 3.38 -3.196107394e-01 -1.212527280e+00 -1.880986690e+00 3.40 -3.049199789e-01 -1.177914416e+00 -1.837977531e+00 3.42 -2.908822704e-01 -1.144280382e+00 -1.795718261e+00 3.44 -2.774700258e-01 -1.111599629e+00 -1.754210404e+00 3.46 -2.646567252e-01 -1.079847073e+00 -1.713454249e+00 3.48 -2.524168825e-01 -1.048998101e+00 -1.673448953e+00 3.50 -2.407260114e-01 -1.019028583e+00 -1.634192639e+00 3.52 -2.295605923e-01 -9.899148731e-01 -1.595682486e+00 3.54 -2.188980398e-01 -9.616338168e-01 -1.557914812e+00 3.56 -2.087166704e-01 -9.341627516e-01 -1.520885151e+00 3.58 -1.989956717e-01 -9.074795089e-01 -1.484588326e+00 3.60 -1.897150715e-01 -8.815624137e-01 -1.449018514e+00 3.62 -1.808557085e-01 -8.563902836e-01 -1.414169309e+00 3.64 -1.723992025e-01 -8.319424265e-01 -1.380033779e+00 3.66 -1.643279271e-01 -8.081986373e-01 -1.346604518e+00 3.68 -1.566249813e-01 -7.851391949e-01 -1.313873696e+00 3.70 -1.492741632e-01 -7.627448566e-01 -1.281833107e+00 3.72 -1.422599439e-01 -7.409968538e-01 -1.250474207e+00 3.74 -1.355674422e-01 -7.198768860e-01 -1.219788157e+00 3.76 -1.291824003e-01 -6.993671146e-01 -1.189765857e+00 3.78 -1.230911597e-01 -6.794501564e-01 -1.160397981e+00 3.80 -1.172806384e-01 -6.601090764e-01 -1.131675011e+00 3.82 -1.117383086e-01 -6.413273810e-01 -1.103587259e+00 3.84 -1.064521752e-01 -6.230890103e-01 -1.076124901e+00 3.86 -1.014107547e-01 -6.053783300e-01 -1.049278000e+00 3.88 -9.660305518e-02 -5.881801240e-01 -1.023036526e+00 3.90 -9.201855691e-02 -5.714795862e-01 -9.973903798e-01 3.92 -8.741067774e-02 -5.540555270e-01 -9.703348863e-01 3.94 -7.989827615e-02 -5.207472478e-01 -9.166148635e-01 3.96 -6.281318373e-02 -4.323463868e-01 -7.690748011e-01 3.98 -3.065756555e-02 -2.371501015e-01 -4.310422491e-01 4.00 -2.422476506e-28 -3.298432408e-27 -6.458375172e-27 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 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