# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--In-N # implementation = 2009--Do-E-C--In-N--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 In In In N N N 0.02 7.249784711e+02 2.259624243e+04 9.982183280e+02 0.04 6.929490489e+02 2.081605148e+04 9.091462983e+02 0.06 6.622636289e+02 1.917355307e+04 8.274552566e+02 0.08 6.328677461e+02 1.765824164e+04 7.525607519e+02 0.10 6.047090846e+02 1.626040462e+04 6.839232079e+02 0.12 5.777373957e+02 1.497106319e+04 6.210445558e+02 0.14 5.519044172e+02 1.378191733e+04 5.634651109e+02 0.16 5.271637968e+02 1.268529510e+04 5.107606838e+02 0.18 5.034710184e+02 1.167410558e+04 4.625399031e+02 0.20 4.807833305e+02 1.074179553e+04 4.184417369e+02 0.22 4.590596781e+02 9.882309150e+03 3.781331995e+02 0.24 4.382606368e+02 9.090050992e+03 3.413072253e+02 0.26 4.183483493e+02 8.359851619e+03 3.076807051e+02 0.28 3.992864648e+02 7.686935795e+03 2.769926635e+02 0.30 3.810400803e+02 7.066893061e+03 2.490025767e+02 0.32 3.635756840e+02 6.495650386e+03 2.234888124e+02 0.34 3.468611016e+02 5.969446776e+03 2.002471883e+02 0.36 3.308654436e+02 5.484809619e+03 1.790896374e+02 0.38 3.155590556e+02 5.038532626e+03 1.598429731e+02 0.40 3.009134700e+02 4.627655268e+03 1.423477480e+02 0.42 2.869013594e+02 4.249443568e+03 1.264571965e+02 0.44 2.734964924e+02 3.901372241e+03 1.120362593e+02 0.46 2.606736902e+02 3.581108076e+03 9.896067879e+01 0.48 2.484087858e+02 3.286494590e+03 8.711616466e+01 0.50 2.366785843e+02 3.015537877e+03 7.639762113e+01 0.52 2.254608244e+02 2.766393688e+03 6.670843362e+01 0.54 2.147341422e+02 2.537355665e+03 5.795980851e+01 0.56 2.044780357e+02 2.326844715e+03 5.007016370e+01 0.58 1.946728307e+02 2.133399438e+03 4.296456494e+01 0.60 1.852996486e+02 1.955667529e+03 3.657420531e+01 0.62 1.763403751e+02 1.792398049e+03 3.083592436e+01 0.64 1.677776294e+02 1.642434429e+03 2.569176363e+01 0.66 1.595947361e+02 1.504708104e+03 2.108855670e+01 0.68 1.517756968e+02 1.378232636e+03 1.697754991e+01 0.70 1.443051633e+02 1.262098249e+03 1.331405298e+01 0.72 1.371684124e+02 1.155466660e+03 1.005711568e+01 0.74 1.303513205e+02 1.057566178e+03 7.169230081e+00 0.76 1.238403401e+02 9.676870063e+02 4.616055247e+00 0.78 1.176224773e+02 8.851767555e+02 2.366163549e+00 0.80 1.116852692e+02 8.094361449e+02 3.908064220e-01 0.82 1.060167630e+02 7.399149106e+02 -1.336301618e+00 0.84 1.006054960e+02 6.761079295e+02 -2.839182146e+00 0.86 9.544047564e+01 6.175515668e+02 -4.139776592e+00 0.88 9.051116120e+01 5.638202637e+02 -5.258115475e+00 0.90 8.580744538e+01 5.145233597e+02 -6.212474622e+00 0.92 8.131963719e+01 4.693021603e+02 -7.019518882e+00 0.94 7.703844527e+01 4.278272328e+02 -7.694434786e+00 0.96 7.295496192e+01 3.897959332e+02 -8.251052534e+00 0.98 6.906064767e+01 3.549301406e+02 -8.701958524e+00 1.00 6.534731659e+01 3.229741950e+02 -9.058598830e+00 1.02 6.180712205e+01 2.936930157e+02 -9.331374555e+00 1.04 5.843254310e+01 2.668703897e+02 -9.529729542e+00 1.06 5.521637137e+01 2.423074130e+02 -9.662231089e+00 1.08 5.215169849e+01 2.198210702e+02 -9.736644233e+00 1.10 4.923190403e+01 1.992429407e+02 -9.760000000e+00 1.12 4.645064380e+01 1.804180170e+02 -9.738658248e+00 1.14 4.380183878e+01 1.632036262e+02 -9.678365337e+00 1.16 4.127966437e+01 1.474684426e+02 -9.584307209e+00 1.18 3.887854006e+01 1.330915849e+02 -9.461158084e+00 1.20 3.659311960e+01 1.199617866e+02 -9.313125230e+00 1.22 3.441828145e+01 1.079766373e+02 -9.143990037e+00 1.24 3.234911966e+01 9.704188350e+01 -8.957145730e+00 1.26 3.038093515e+01 8.707078707e+01 -8.755631966e+00 1.28 2.850922722e+01 7.798353510e+01 -8.542166567e+00 1.30 2.672968555e+01 6.970669598e+01 -8.319174617e+00 1.32 2.503818236e+01 6.217271926e+01 -8.088815119e+00 1.34 2.343076500e+01 5.531947401e+01 -7.853005437e+00 1.36 2.190364876e+01 4.908982418e+01 -7.613443657e+00 1.38 2.045321002e+01 4.343123619e+01 -7.371629075e+00 1.40 1.907597966e+01 3.829541791e+01 -7.128880929e+00 1.42 1.776863667e+01 3.363798498e+01 -6.886355546e+00 1.44 1.652800211e+01 2.941815350e+01 -6.645061997e+00 1.46 1.535103325e+01 2.559845627e+01 -6.405876423e+00 1.48 1.423481797e+01 2.214448106e+01 -6.169555096e+00 1.50 1.317656935e+01 1.902462931e+01 -5.936746358e+00 1.52 1.217362053e+01 1.620989318e+01 -5.708001500e+00 1.54 1.122341973e+01 1.367365032e+01 -5.483784682e+00 1.56 1.032352549e+01 1.139147413e+01 -5.264481975e+00 1.58 9.471602105e+00 9.340959088e+00 -5.050409585e+00 1.60 8.665415212e+00 7.501559383e+00 -4.841821343e+00 1.62 7.902827610e+00 5.854440326e+00 -4.638915513e+00 1.64 7.181795194e+00 4.382341136e+00 -4.441840967e+00 1.66 6.500363088e+00 3.069448587e+00 -4.250702807e+00 1.68 5.856661911e+00 1.901280424e+00 -4.065567443e+00 1.70 5.248904213e+00 8.645779367e-01 -3.886467215e+00 1.72 4.675381043e+00 -5.279302272e-02 -3.713404554e+00 1.74 4.134458657e+00 -8.619333222e-01 -3.546355767e+00 1.76 3.624575368e+00 -1.572994547e+00 -3.385274434e+00 1.78 3.144238509e+00 -2.195256500e+00 -3.230094486e+00 1.80 2.692021536e+00 -2.737198452e+00 -3.080732976e+00 1.82 2.266561235e+00 -3.206564882e+00 -2.937092563e+00 1.84 1.866555050e+00 -3.610425882e+00 -2.799063756e+00 1.86 1.490758521e+00 -3.955232868e+00 -2.666526915e+00 1.88 1.137982818e+00 -4.246869773e+00 -2.539354047e+00 1.90 8.070923848e-01 -4.490700200e+00 -2.417410414e+00 1.92 4.970026767e-01 -4.691610782e+00 -2.300555958e+00 1.94 2.066779874e-01 -4.854051065e+00 -2.188646576e+00 1.96 -6.487063186e-02 -4.982070198e+00 -2.081535247e+00 1.98 -3.185873677e-01 -5.079350631e+00 -1.979073030e+00 2.00 -5.553735601e-01 -5.149239142e+00 -1.881109943e+00 2.02 -7.760895366e-01 -5.194775286e+00 -1.787495741e+00 2.04 -9.815563735e-01 -5.218717595e+00 -1.698080583e+00 2.06 -1.172557582e+00 -5.223567594e+00 -1.612715631e+00 2.08 -1.349840726e+00 -5.211591882e+00 -1.531253553e+00 2.10 -1.514118974e+00 -5.184842396e+00 -1.453548966e+00 2.12 -1.666072584e+00 -5.145175005e+00 -1.379458811e+00 2.14 -1.806350329e+00 -5.094266582e+00 -1.308842670e+00 2.16 -1.935570864e+00 -5.033630652e+00 -1.241563030e+00 2.18 -2.054324033e+00 -4.964631754e+00 -1.177485510e+00 2.20 -2.163172125e+00 -4.888498596e+00 -1.116479034e+00 2.22 -2.262651076e+00 -4.806336126e+00 -1.058415973e+00 2.24 -2.353271618e+00 -4.719136576e+00 -1.003172260e+00 2.26 -2.435520390e+00 -4.627789597e+00 -9.506274649e-01 2.28 -2.509860988e+00 -4.533091514e+00 -9.006648524e-01 2.30 -2.576734983e+00 -4.435753826e+00 -8.531714117e-01 2.32 -2.636562890e+00 -4.336410960e+00 -8.080378703e-01 2.34 -2.689745099e+00 -4.235627380e+00 -7.651586874e-01 2.36 -2.736662764e+00 -4.133904076e+00 -7.244320335e-01 2.38 -2.777678659e+00 -4.031684502e+00 -6.857597564e-01 2.40 -2.813137994e+00 -3.929360001e+00 -6.490473357e-01 2.42 -2.843369196e+00 -3.827274755e+00 -6.142038274e-01 2.44 -2.868684661e+00 -3.725730308e+00 -5.811418005e-01 2.46 -2.889381470e+00 -3.624989693e+00 -5.497772667e-01 2.48 -2.905742077e+00 -3.525281195e+00 -5.200296036e-01 2.50 -2.918034967e+00 -3.426801778e+00 -4.918214738e-01 2.52 -2.926515287e+00 -3.329720219e+00 -4.650787404e-01 2.54 -2.931425443e+00 -3.234179947e+00 -4.397303788e-01 2.56 -2.932995687e+00 -3.140301637e+00 -4.157083865e-01 2.58 -2.931444661e+00 -3.048185572e+00 -3.929476923e-01 2.60 -2.926979930e+00 -2.957913779e+00 -3.713860630e-01 2.62 -2.919798486e+00 -2.869551978e+00 -3.509640109e-01 2.64 -2.910087232e+00 -2.783151355e+00 -3.316247009e-01 2.66 -2.898023447e+00 -2.698750158e+00 -3.133138575e-01 2.68 -2.883775229e+00 -2.616375159e+00 -2.959796739e-01 2.70 -2.867501915e+00 -2.536042966e+00 -2.795727203e-01 2.72 -2.849354493e+00 -2.457761218e+00 -2.640458555e-01 2.74 -2.829475984e+00 -2.381529665e+00 -2.493541382e-01 2.76 -2.808001815e+00 -2.307341139e+00 -2.354547412e-01 2.78 -2.785060176e+00 -2.235182437e+00 -2.223068673e-01 2.80 -2.760772355e+00 -2.165035111e+00 -2.098716666e-01 2.82 -2.735253065e+00 -2.096876187e+00 -1.981121563e-01 2.84 -2.708610753e+00 -2.030678803e+00 -1.869931430e-01 2.86 -2.680947899e+00 -1.966412789e+00 -1.764811465e-01 2.88 -2.652361293e+00 -1.904045184e+00 -1.665443263e-01 2.90 -2.622942313e+00 -1.843540701e+00 -1.571524104e-01 2.92 -2.592777178e+00 -1.784862140e+00 -1.482766262e-01 2.94 -2.561947198e+00 -1.727970762e+00 -1.398896342e-01 2.96 -2.530529009e+00 -1.672826613e+00 -1.319654629e-01 2.98 -2.498594801e+00 -1.619388823e+00 -1.244794478e-01 3.00 -2.466212529e+00 -1.567615864e+00 -1.174081705e-01 3.02 -2.433446122e+00 -1.517465779e+00 -1.107294020e-01 3.04 -2.400355679e+00 -1.468896386e+00 -1.044220468e-01 3.06 -2.366997657e+00 -1.421865457e+00 -9.846608996e-02 3.08 -2.333425049e+00 -1.376330872e+00 -9.284254592e-02 3.10 -2.299687555e+00 -1.332250757e+00 -8.753340941e-02 3.12 -2.265831747e+00 -1.289583602e+00 -8.252160855e-02 3.14 -2.231901224e+00 -1.248288362e+00 -7.779095963e-02 3.16 -2.197936758e+00 -1.208324544e+00 -7.332612410e-02 3.18 -2.163976443e+00 -1.169652284e+00 -6.911256711e-02 3.20 -2.130055822e+00 -1.132232406e+00 -6.513651811e-02 3.22 -2.096208023e+00 -1.096026477e+00 -6.138493294e-02 3.24 -2.062463878e+00 -1.060996848e+00 -5.784545780e-02 3.26 -2.028852043e+00 -1.027106690e+00 -5.450639470e-02 3.28 -1.995399111e+00 -9.943200173e-01 -5.135666852e-02 3.30 -1.962129717e+00 -9.626017135e-01 -4.838579559e-02 3.32 -1.929066641e+00 -9.319175419e-01 -4.558385366e-02 3.34 -1.896230907e+00 -9.022341563e-01 -4.294145338e-02 3.36 -1.863641874e+00 -8.735191056e-01 -4.044971095e-02 3.38 -1.831317325e+00 -8.457408352e-01 -3.810022221e-02 3.40 -1.799273555e+00 -8.188686839e-01 -3.588503788e-02 3.42 -1.767525448e+00 -7.928728785e-01 -3.379663999e-02 3.44 -1.736086555e+00 -7.677245260e-01 -3.182791952e-02 3.46 -1.704969170e+00 -7.433956023e-01 -2.997215500e-02 3.48 -1.674184398e+00 -7.198589407e-01 -2.822299226e-02 3.50 -1.643742222e+00 -6.970882175e-01 -2.657442513e-02 3.52 -1.613651569e+00 -6.750579367e-01 -2.502077711e-02 3.54 -1.583920370e+00 -6.537434135e-01 -2.355668390e-02 3.56 -1.554555618e+00 -6.331207569e-01 -2.217707690e-02 3.58 -1.525563424e+00 -6.131668518e-01 -2.087716741e-02 3.60 -1.496949070e+00 -5.938593400e-01 -1.965243178e-02 3.62 -1.468717063e+00 -5.751766012e-01 -1.849859713e-02 3.64 -1.440871177e+00 -5.570977336e-01 -1.741162797e-02 3.66 -1.413414505e+00 -5.396025343e-01 -1.638771341e-02 3.68 -1.386349499e+00 -5.226714799e-01 -1.542325500e-02 3.70 -1.359678017e+00 -5.062857064e-01 -1.451485530e-02 3.72 -1.333401357e+00 -4.904269899e-01 -1.365930695e-02 3.74 -1.307520298e+00 -4.750777271e-01 -1.285358233e-02 3.76 -1.282035139e+00 -4.602209162e-01 -1.209482379e-02 3.78 -1.256945728e+00 -4.458401381e-01 -1.138033437e-02 3.80 -1.232251499e+00 -4.319195372e-01 -1.070756896e-02 3.82 -1.207951500e+00 -4.184438038e-01 -1.007412604e-02 3.84 -1.184044424e+00 -4.053981556e-01 -9.477739736e-03 3.86 -1.160528635e+00 -3.927683206e-01 -8.916272353e-03 3.88 -1.137402199e+00 -3.805405193e-01 -8.387707324e-03 3.90 -1.114662901e+00 -3.687014489e-01 -7.890142492e-03 3.92 -1.089900776e+00 -3.566328689e-01 -7.694616888e-03 3.94 -1.032474248e+00 -3.366518993e-01 -1.102354647e-02 3.96 -8.617989300e-01 -2.871677424e-01 -2.301011812e-02 3.98 -4.721670898e-01 -1.691563676e-01 -3.242131684e-02 4.00 -6.332845669e-27 -3.038594561e-27 -1.583626512e-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 0.000000000e+00 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