# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2014--Nouranian-S-Tschopp-M-A-Gwaltney-S-R-et-al--CH # implementation = 2014--Nouranian-S--CH--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 H H H 0.02 4.674466594e+02 1.023615713e+04 5.299483607e+02 0.04 4.313364871e+02 4.651024758e+03 2.459354754e+02 0.06 3.978212365e+02 2.816879601e+03 1.516587144e+02 0.08 3.667213728e+02 1.918563773e+03 1.048133725e+02 0.10 3.378695180e+02 1.393237029e+03 7.694104975e+01 0.12 3.111096372e+02 1.053388131e+03 5.855532961e+01 0.14 2.862962809e+02 8.187338974e+02 4.559030709e+01 0.16 2.632938763e+02 6.491954062e+02 3.601276712e+01 0.18 2.419760662e+02 5.225572775e+02 2.869291625e+01 0.20 2.222250913e+02 4.255317887e+02 2.295267756e+01 0.22 2.039312138e+02 3.496974435e+02 1.836037171e+01 0.24 1.869921797e+02 2.894685319e+02 1.462805846e+01 0.26 1.713127157e+02 2.410020518e+02 1.155625983e+01 0.28 1.568040609e+02 2.015732896e+02 9.002373867e+00 0.30 1.433835286e+02 1.692013383e+02 6.861723269e+00 0.32 1.309740977e+02 1.424151906e+02 5.055711007e+00 0.34 1.195040315e+02 1.201025110e+02 3.524156440e+00 0.36 1.089065214e+02 1.014089245e+02 2.220186112e+00 0.38 9.911935438e+01 8.566920120e+01 1.106737952e+00 0.40 9.008460354e+01 7.235916538e+01 1.541141562e-01 0.42 8.174833795e+01 6.106141406e+01 -6.617668590e-01 0.44 7.406035282e+01 5.144044584e+01 -1.360641890e+00 0.46 6.697391731e+01 4.322433022e+01 -1.958842848e+00 0.48 6.044553932e+01 3.619100564e+01 -2.470001850e+00 0.50 5.443474588e+01 3.015790610e+01 -2.905587248e+00 0.52 4.890387836e+01 2.497401682e+01 -3.275316137e+00 0.54 4.381790131e+01 2.051372613e+01 -3.587475367e+00 0.56 3.914422413e+01 1.667202180e+01 -3.849173939e+00 0.58 3.485253466e+01 1.336070502e+01 -4.066543344e+00 0.60 3.091464400e+01 1.050538244e+01 -4.244898007e+00 0.62 2.730434165e+01 8.043058767e+00 -4.388864832e+00 0.64 2.399726045e+01 5.920196957e+00 -4.502488606e+00 0.66 2.097075054e+01 4.091145297e+00 -4.589318392e+00 0.68 1.820376187e+01 2.516854673e+00 -4.652478806e+00 0.70 1.567673454e+01 1.163826818e+00 -4.694729212e+00 0.72 1.337149654e+01 3.247641921e-03 -4.718513174e+00 0.74 1.127116842e+01 -9.897302477e-01 -4.726000006e+00 0.76 9.360074372e+00 -1.836584090e+00 -4.719083403e+00 0.78 7.623659277e+00 -2.555918981e+00 -4.699324717e+00 0.80 6.048411404e+00 -3.163885205e+00 -4.668120802e+00 0.82 4.621790319e+00 -3.674529195e+00 -4.626755654e+00 0.84 3.332159663e+00 -4.100089681e+00 -4.576408491e+00 0.86 2.168724495e+00 -4.451248363e+00 -4.518161294e+00 0.88 1.121472878e+00 -4.737342724e+00 -4.453005848e+00 0.90 1.811214273e-01 -4.966547218e+00 -4.381850301e+00 0.92 -6.609354357e-01 -5.146027936e+00 -4.305525282e+00 0.94 -1.412672789e+00 -5.282074969e+00 -4.224789602e+00 0.96 -2.081479287e+00 -5.380215955e+00 -4.140335567e+00 0.98 -2.674198241e+00 -5.445313712e+00 -4.052793929e+00 1.00 -3.197165893e+00 -5.481650367e+00 -3.962738497e+00 1.02 -3.656247077e+00 -5.493000000e+00 -3.870690425e+00 1.04 -4.056868444e+00 -5.482691502e+00 -3.777122215e+00 1.06 -4.404049410e+00 -5.453663065e+00 -3.682461432e+00 1.08 -4.702430988e+00 -5.408509503e+00 -3.587094165e+00 1.10 -4.956302634e+00 -5.349523433e+00 -3.491368245e+00 1.12 -5.169627255e+00 -5.278731155e+00 -3.395596238e+00 1.14 -5.346064495e+00 -5.197923984e+00 -3.300058225e+00 1.16 -5.488992413e+00 -5.108685641e+00 -3.205004390e+00 1.18 -5.601527670e+00 -5.012416248e+00 -3.110657418e+00 1.20 -5.686544320e+00 -4.910353363e+00 -3.017214725e+00 1.22 -5.746691297e+00 -4.803590468e+00 -2.924850526e+00 1.24 -5.784408697e+00 -4.693093223e+00 -2.833717760e+00 1.26 -5.801942921e+00 -4.579713790e+00 -2.743949866e+00 1.28 -5.801360771e+00 -4.464203461e+00 -2.655662433e+00 1.30 -5.784562563e+00 -4.347223815e+00 -2.568954738e+00 1.32 -5.753294326e+00 -4.229356586e+00 -2.483911154e+00 1.34 -5.709159142e+00 -4.111112396e+00 -2.400602469e+00 1.36 -5.653627700e+00 -3.992938496e+00 -2.319087095e+00 1.38 -5.588048101e+00 -3.875225648e+00 -2.239412197e+00 1.40 -5.513654983e+00 -3.758314221e+00 -2.161614728e+00 1.42 -5.431577994e+00 -3.642499632e+00 -2.085722388e+00 1.44 -5.342849671e+00 -3.528037181e+00 -2.011754509e+00 1.46 -5.248412758e+00 -3.415146362e+00 -1.939722878e+00 1.48 -5.149127011e+00 -3.304014711e+00 -1.869632485e+00 1.50 -5.045775512e+00 -3.194801246e+00 -1.801482218e+00 1.52 -4.939070534e+00 -3.087639537e+00 -1.735265508e+00 1.54 -4.829658993e+00 -2.982640457e+00 -1.670970910e+00 1.56 -4.718127497e+00 -2.879894639e+00 -1.608582653e+00 1.58 -4.605007047e+00 -2.779474691e+00 -1.548081129e+00 1.60 -4.490777384e+00 -2.681437166e+00 -1.489443354e+00 1.62 -4.375871031e+00 -2.585824343e+00 -1.432643387e+00 1.64 -4.260677042e+00 -2.492665824e+00 -1.377652709e+00 1.66 -4.145544469e+00 -2.401979958e+00 -1.324440579e+00 1.68 -4.030785588e+00 -2.313775140e+00 -1.272974351e+00 1.70 -3.916678875e+00 -2.228050962e+00 -1.223219767e+00 1.72 -3.803471777e+00 -2.144799260e+00 -1.175141225e+00 1.74 -3.691383264e+00 -2.064005048e+00 -1.128702018e+00 1.76 -3.580606206e+00 -1.985647367e+00 -1.083864562e+00 1.78 -3.471309555e+00 -1.909700041e+00 -1.040590588e+00 1.80 -3.363640382e+00 -1.836132366e+00 -9.988413270e-01 1.82 -3.257725747e+00 -1.764909723e+00 -9.585776732e-01 1.84 -3.153674434e+00 -1.695994132e+00 -9.197603317e-01 1.86 -3.051578549e+00 -1.629344755e+00 -8.823499510e-01 1.88 -2.951515000e+00 -1.564918342e+00 -8.463072417e-01 1.90 -2.853546857e+00 -1.502669635e+00 -8.115930833e-01 1.92 -2.757724614e+00 -1.442551734e+00 -7.781686191e-01 1.94 -2.664087341e+00 -1.384516417e+00 -7.459953399e-01 1.96 -2.572663752e+00 -1.328514437e+00 -7.150351589e-01 1.98 -2.483473184e+00 -1.274495784e+00 -6.852504769e-01 2.00 -2.396526498e+00 -1.222409915e+00 -6.566042393e-01 2.02 -2.311826899e+00 -1.172205967e+00 -6.290599863e-01 2.04 -2.229370692e+00 -1.123832943e+00 -6.025818949e-01 2.06 -2.149147970e+00 -1.077239877e+00 -5.771348162e-01 2.08 -2.071143240e+00 -1.032375984e+00 -5.526843053e-01 2.10 -1.995335985e+00 -9.891907874e-01 -5.291966476e-01 2.12 -1.921701178e+00 -9.476342358e-01 -5.066388789e-01 2.14 -1.850209732e+00 -9.076568048e-01 -4.849788021e-01 2.16 -1.780828902e+00 -8.692095849e-01 -4.641849998e-01 2.18 -1.713522631e+00 -8.322443589e-01 -4.442268429e-01 2.20 -1.648251834e+00 -7.967136688e-01 -4.250744968e-01 2.22 -1.584974635e+00 -7.625708729e-01 -4.066989238e-01 2.24 -1.523646523e+00 -7.297701949e-01 -3.890718839e-01 2.26 -1.464220446e+00 -6.982667647e-01 -3.721659323e-01 2.28 -1.406646799e+00 -6.680166525e-01 -3.559544156e-01 2.30 -1.350873303e+00 -6.389768968e-01 -3.404114654e-01 2.32 -1.296844727e+00 -6.111055259e-01 -3.255119914e-01 2.34 -1.244502388e+00 -5.843615752e-01 -3.112316718e-01 2.36 -1.193783334e+00 -5.587050989e-01 -2.975469431e-01 2.38 -1.144619040e+00 -5.340971783e-01 -2.844349889e-01 2.40 -1.096933313e+00 -5.104999260e-01 -2.718737273e-01 2.42 -1.050638889e+00 -4.878764867e-01 -2.598417978e-01 2.44 -1.005631647e+00 -4.661910348e-01 -2.483185475e-01 2.46 -9.617802586e-01 -4.454087699e-01 -2.372840166e-01 2.48 -9.189061974e-01 -4.254959093e-01 -2.267189233e-01 2.50 -8.767407415e-01 -4.064196787e-01 -2.166046485e-01 2.52 -8.348166284e-01 -3.881483006e-01 -2.069232204e-01 2.54 -7.921134897e-01 -3.706509856e-01 -1.976572984e-01 2.56 -7.450145280e-01 -3.539015020e-01 -1.887901571e-01 2.58 -6.841038804e-01 -3.378592366e-01 -1.803056701e-01 2.60 -6.577416243e-01 -3.225099302e-01 -1.721882941e-01 2.62 -6.332063152e-01 -3.078200870e-01 -1.644230526e-01 2.64 -6.098622531e-01 -2.937645663e-01 -1.569955195e-01 2.66 -5.875029046e-01 -2.803181411e-01 -1.498918037e-01 2.68 -5.660198521e-01 -2.674564495e-01 -1.430985328e-01 2.70 -5.453428721e-01 -2.551559734e-01 -1.366028374e-01 2.72 -5.254205877e-01 -2.433940180e-01 -1.303923358e-01 2.74 -5.062123437e-01 -2.321486914e-01 -1.244551188e-01 2.76 -4.876842048e-01 -2.213988843e-01 -1.187797340e-01 2.78 -4.698067578e-01 -2.111242487e-01 -1.133551719e-01 2.80 -4.525538068e-01 -2.013051781e-01 -1.081708507e-01 2.82 -4.359015481e-01 -1.919227858e-01 -1.032166024e-01 2.84 -4.198280251e-01 -1.829588854e-01 -9.848265859e-02 2.86 -4.043127529e-01 -1.743959697e-01 -9.395963713e-02 2.88 -3.893364523e-01 -1.662171907e-01 -8.963852860e-02 2.90 -3.748808557e-01 -1.584063398e-01 -8.551068337e-02 2.92 -3.597745146e-01 -1.504712927e-01 -8.134101093e-02 2.94 -3.299005387e-01 -1.366462749e-01 -7.436638753e-02 2.96 -2.533916569e-01 -1.041732840e-01 -5.822750500e-02 2.98 -1.122152608e-01 -4.609964598e-02 -2.799340243e-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 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