# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In-N # implementation = 2009--Do-E-C--Ga-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 Ga Ga Ga In Ga N In In In N N N 0.02 5.185206574e+02 4.246093234e+02 3.796271418e+03 7.249784711e+02 2.259624243e+04 9.982183280e+02 0.04 4.942686290e+02 4.062156042e+02 3.518848323e+03 6.929490489e+02 2.081605148e+04 9.091462983e+02 0.06 4.710771862e+02 3.885625901e+02 3.261166485e+03 6.622636289e+02 1.917355307e+04 8.274552566e+02 0.08 4.489020317e+02 3.716220173e+02 3.021846779e+03 6.328677461e+02 1.765824164e+04 7.525607519e+02 0.10 4.277006537e+02 3.553666492e+02 2.799605080e+03 6.047090846e+02 1.626040462e+04 6.839232079e+02 0.12 4.074322566e+02 3.397702410e+02 2.593245790e+03 5.777373957e+02 1.497106319e+04 6.210445558e+02 0.14 3.880576934e+02 3.248075055e+02 2.401655810e+03 5.519044172e+02 1.378191733e+04 5.634651109e+02 0.16 3.695394009e+02 3.104540797e+02 2.223798911e+03 5.271637968e+02 1.268529510e+04 5.107606838e+02 0.18 3.518413375e+02 2.966864931e+02 2.058710489e+03 5.034710184e+02 1.167410558e+04 4.625399031e+02 0.20 3.349289232e+02 2.834821361e+02 1.905492676e+03 4.807833305e+02 1.074179553e+04 4.184417369e+02 0.22 3.187689827e+02 2.708192303e+02 1.763309791e+03 4.590596781e+02 9.882309150e+03 3.781331995e+02 0.24 3.033296889e+02 2.586767993e+02 1.631384090e+03 4.382606368e+02 9.090050992e+03 3.413072253e+02 0.26 2.885805108e+02 2.470346406e+02 1.508991829e+03 4.183483493e+02 8.359851619e+03 3.076807051e+02 0.28 2.744921616e+02 2.358732987e+02 1.395459583e+03 3.992864648e+02 7.686935795e+03 2.769926635e+02 0.30 2.610365499e+02 2.251740384e+02 1.290160840e+03 3.810400803e+02 7.066893061e+03 2.490025767e+02 0.32 2.481867321e+02 2.149188196e+02 1.192512809e+03 3.635756840e+02 6.495650386e+03 2.234888124e+02 0.34 2.359168671e+02 2.050902728e+02 1.101973456e+03 3.468611016e+02 5.969446776e+03 2.002471883e+02 0.36 2.242021725e+02 1.956716752e+02 1.018038700e+03 3.308654436e+02 5.484809619e+03 1.790896374e+02 0.38 2.130188826e+02 1.866469278e+02 9.402397663e+02 3.155590556e+02 5.038532626e+03 1.598429731e+02 0.40 2.023442082e+02 1.780005335e+02 8.681406433e+02 3.009134700e+02 4.627655268e+03 1.423477480e+02 0.42 1.921562972e+02 1.697175751e+02 8.013356139e+02 2.869013594e+02 4.249443568e+03 1.264571965e+02 0.44 1.824341979e+02 1.617836953e+02 7.394468427e+02 2.734964924e+02 3.901372241e+03 1.120362593e+02 0.46 1.731578229e+02 1.541850760e+02 6.821219989e+02 2.606736902e+02 3.581108076e+03 9.896067879e+01 0.48 1.643079144e+02 1.469084195e+02 6.290319448e+02 2.484087858e+02 3.286494590e+03 8.711616466e+01 0.50 1.558660112e+02 1.399409294e+02 5.798685376e+02 2.366785843e+02 3.015537877e+03 7.639762113e+01 0.52 1.478144171e+02 1.332702931e+02 5.343426629e+02 2.254608244e+02 2.766393688e+03 6.670843362e+01 0.54 1.401361699e+02 1.268846637e+02 4.921826614e+02 2.147341422e+02 2.537355665e+03 5.795980851e+01 0.56 1.328150123e+02 1.207726439e+02 4.531333779e+02 2.044780357e+02 2.326844715e+03 5.007016370e+01 0.58 1.258353635e+02 1.149232690e+02 4.169560834e+02 1.946728307e+02 2.133399438e+03 4.296456494e+01 0.60 1.191822920e+02 1.093259918e+02 3.834295223e+02 1.852996486e+02 1.955667529e+03 3.657420531e+01 0.62 1.128414895e+02 1.039706674e+02 3.523522480e+02 1.763403751e+02 1.792398049e+03 3.083592436e+01 0.64 1.067992461e+02 9.884753809e+01 3.235462150e+02 1.677776294e+02 1.642434429e+03 2.569176363e+01 0.66 1.010424259e+02 9.394721975e+01 2.968612353e+02 1.595947361e+02 1.504708104e+03 2.108855670e+01 0.68 9.555844402e+01 8.926068799e+01 2.721793207e+02 1.517756968e+02 1.378232636e+03 1.697754991e+01 0.70 9.033524436e+01 8.477926502e+01 2.494171571e+02 1.443051633e+02 1.262098249e+03 1.331405298e+01 0.72 8.536127817e+01 8.049460695e+01 2.285241419e+02 1.371684124e+02 1.155466660e+03 1.005711568e+01 0.74 8.062548364e+01 7.639869155e+01 2.094731384e+02 1.303513205e+02 1.057566178e+03 7.169230081e+00 0.76 7.611726612e+01 7.248380642e+01 1.922421902e+02 1.238403401e+02 9.676870063e+02 4.616055247e+00 0.78 7.182647922e+01 6.874253755e+01 1.767887475e+02 1.176224773e+02 8.851767555e+02 2.366163549e+00 0.80 6.774340663e+01 6.516775834e+01 1.630230251e+02 1.116852692e+02 8.094361449e+02 3.908064220e-01 0.82 6.385874463e+01 6.175261897e+01 1.507912580e+02 1.060167630e+02 7.399149106e+02 -1.336301618e+00 0.84 6.016358534e+01 5.849053614e+01 1.398786620e+02 1.006054960e+02 6.761079295e+02 -2.839182146e+00 0.86 5.664940056e+01 5.537518317e+01 1.300340225e+02 9.544047564e+01 6.175515668e+02 -4.139776592e+00 0.88 5.330802634e+01 5.240048051e+01 1.210070251e+02 9.051116120e+01 5.638202637e+02 -5.258115475e+00 0.90 5.013164805e+01 4.956058649e+01 1.125833922e+02 8.580744538e+01 5.145233597e+02 -6.212474622e+00 0.92 4.711278614e+01 4.684988847e+01 1.046058023e+02 8.131963719e+01 4.693021603e+02 -7.019518882e+00 0.94 4.424428241e+01 4.426299431e+01 9.697724761e+01 7.703844527e+01 4.278272328e+02 -7.694434786e+00 0.96 4.151928678e+01 4.179472405e+01 8.965124650e+01 7.295496192e+01 3.897959332e+02 -8.251052534e+00 0.98 3.893124470e+01 3.944010204e+01 8.261626335e+01 6.906064767e+01 3.549301406e+02 -8.701958524e+00 1.00 3.647388491e+01 3.719434922e+01 7.588040057e+01 6.534731659e+01 3.229741950e+02 -9.058598830e+00 1.02 3.414120785e+01 3.505287573e+01 6.945954171e+01 6.180712205e+01 2.936930157e+02 -9.331374555e+00 1.04 3.192747431e+01 3.301127378e+01 6.336966992e+01 5.843254310e+01 2.668703897e+02 -9.529729542e+00 1.06 2.982719478e+01 3.106531080e+01 5.762273480e+01 5.521637137e+01 2.423074130e+02 -9.662231089e+00 1.08 2.783511900e+01 2.921092281e+01 5.222501135e+01 5.215169849e+01 2.198210702e+02 -9.736644233e+00 1.10 2.594622604e+01 2.744420803e+01 4.717697003e+01 4.923190403e+01 1.992429407e+02 -9.760000000e+00 1.12 2.415571475e+01 2.576142069e+01 4.247393076e+01 4.645064380e+01 1.804180170e+02 -9.738658248e+00 1.14 2.245899460e+01 2.415896520e+01 3.810703328e+01 4.380183878e+01 1.632036262e+02 -9.678365337e+00 1.16 2.085167680e+01 2.263339032e+01 3.406425500e+01 4.127966437e+01 1.474684426e+02 -9.584307209e+00 1.18 1.932956590e+01 2.118138374e+01 3.033134175e+01 3.887854006e+01 1.330915849e+02 -9.461158084e+00 1.20 1.788865163e+01 1.979976674e+01 2.689259643e+01 3.659311960e+01 1.199617866e+02 -9.313125230e+00 1.22 1.652510108e+01 1.848548908e+01 2.373151507e+01 3.441828145e+01 1.079766373e+02 -9.143990037e+00 1.24 1.523525121e+01 1.723562406e+01 2.083128130e+01 3.234911966e+01 9.704188350e+01 -8.957145730e+00 1.26 1.401560165e+01 1.604736381e+01 1.817513889e+01 3.038093515e+01 8.707078707e+01 -8.755631966e+00 1.28 1.286280779e+01 1.491801471e+01 1.574666421e+01 2.850922722e+01 7.798353510e+01 -8.542166567e+00 1.30 1.177367413e+01 1.384499297e+01 1.352995866e+01 2.672968555e+01 6.970669598e+01 -8.319174617e+00 1.32 1.074514790e+01 1.282582038e+01 1.150977895e+01 2.503818236e+01 6.217271926e+01 -8.088815119e+00 1.34 9.774312970e+00 1.185812028e+01 9.671619433e+00 2.343076500e+01 5.531947401e+01 -7.853005437e+00 1.36 8.858383952e+00 1.093961354e+01 8.001758611e+00 2.190364876e+01 4.908982418e+01 -7.613443657e+00 1.38 7.994700590e+00 1.006811486e+01 6.487278594e+00 2.045321002e+01 4.343123619e+01 -7.371629075e+00 1.40 7.180722341e+00 9.241529042e+00 5.116065204e+00 1.907597966e+01 3.829541791e+01 -7.128880929e+00 1.42 6.414023201e+00 8.457847536e+00 3.876793854e+00 1.776863667e+01 3.363798498e+01 -6.886355546e+00 1.44 5.692286726e+00 7.715145009e+00 2.758905743e+00 1.652800211e+01 2.941815350e+01 -6.645061997e+00 1.46 5.013301275e+00 7.011576112e+00 1.752577375e+00 1.535103325e+01 2.559845627e+01 -6.405876423e+00 1.48 4.374955430e+00 6.345372326e+00 8.486859290e-01 1.423481797e+01 2.214448106e+01 -6.169555096e+00 1.50 3.775233628e+00 5.714838949e+00 3.877224421e-02 1.317656935e+01 1.902462931e+01 -5.936746358e+00 1.52 3.212211955e+00 5.118352180e+00 -6.849972916e-01 1.217362053e+01 1.620989318e+01 -5.708001500e+00 1.54 2.684054131e+00 4.554356319e+00 -1.329868887e+00 1.122341973e+01 1.367365032e+01 -5.483784682e+00 1.56 2.189007659e+00 4.021361067e+00 -1.902538973e+00 1.032352549e+01 1.139147413e+01 -5.264481975e+00 1.58 1.725400138e+00 3.517938932e+00 -2.409190669e+00 9.471602105e+00 9.340959088e+00 -5.050409585e+00 1.60 1.291635733e+00 3.042722727e+00 -2.855528916e+00 8.665415212e+00 7.501559383e+00 -4.841821343e+00 1.62 8.861917987e-01 2.594403168e+00 -3.246813928e+00 7.902827610e+00 5.854440326e+00 -4.638915513e+00 1.64 5.076156461e-01 2.171726551e+00 -3.587892960e+00 7.181795194e+00 4.382341136e+00 -4.441840967e+00 1.66 1.545214516e-01 1.773492533e+00 -3.883230239e+00 6.500363088e+00 3.069448587e+00 -4.250702807e+00 1.68 -1.744126998e-01 1.398551978e+00 -4.136935120e+00 5.856661911e+00 1.901280424e+00 -4.065567443e+00 1.70 -4.804476419e-01 1.045804903e+00 -4.352788444e+00 5.248904213e+00 8.645779367e-01 -3.886467215e+00 1.72 -7.647858292e-01 7.141984875e-01 -4.534267167e+00 4.675381043e+00 -5.279302272e-02 -3.713404554e+00 1.74 -1.028573921e+00 4.027251649e-01 -4.684567333e+00 4.134458657e+00 -8.619333222e-01 -3.546355767e+00 1.76 -1.272905249e+00 1.104207890e-01 -4.806625432e+00 3.624575368e+00 -1.572994547e+00 -3.385274434e+00 1.78 -1.498822174e+00 -1.636371342e-01 -4.903138276e+00 3.144238509e+00 -2.195256500e+00 -3.230094486e+00 1.80 -1.707318341e+00 -4.203311433e-01 -4.976581415e+00 2.692021536e+00 -2.737198452e+00 -3.080732976e+00 1.82 -1.899340830e+00 -6.605054546e-01 -5.029226245e+00 2.266561235e+00 -3.206564882e+00 -2.937092563e+00 1.84 -2.075792210e+00 -8.849675304e-01 -5.063155831e+00 1.866555050e+00 -3.610425882e+00 -2.799063756e+00 1.86 -2.237532502e+00 -1.094489588e+00 -5.080279573e+00 1.490758521e+00 -3.955232868e+00 -2.666526915e+00 1.88 -2.385381053e+00 -1.289810046e+00 -5.082346764e+00 1.137982818e+00 -4.246869773e+00 -2.539354047e+00 1.90 -2.520118325e+00 -1.471634923e+00 -5.070959139e+00 8.070923848e-01 -4.490700200e+00 -2.417410414e+00 1.92 -2.642487603e+00 -1.640639166e+00 -5.047582465e+00 4.970026767e-01 -4.691610782e+00 -2.300555958e+00 1.94 -2.753196627e+00 -1.797467943e+00 -5.013557259e+00 2.066779874e-01 -4.854051065e+00 -2.188646576e+00 1.96 -2.852919152e+00 -1.942737871e+00 -4.970108682e+00 -6.487063186e-02 -4.982070198e+00 -2.081535247e+00 1.98 -2.942296433e+00 -2.077038203e+00 -4.918355683e+00 -3.185873677e-01 -5.079350631e+00 -1.979073030e+00 2.00 -3.021938649e+00 -2.200931963e+00 -4.859319440e+00 -5.553735601e-01 -5.149239142e+00 -1.881109943e+00 2.02 -3.092426261e+00 -2.314957039e+00 -4.793931149e+00 -7.760895366e-01 -5.194775286e+00 -1.787495741e+00 2.04 -3.154311307e+00 -2.419627228e+00 -4.723039219e+00 -9.815563735e-01 -5.218717595e+00 -1.698080583e+00 2.06 -3.208118647e+00 -2.515433241e+00 -4.647415907e+00 -1.172557582e+00 -5.223567594e+00 -1.612715631e+00 2.08 -3.254347145e+00 -2.602843667e+00 -4.567763447e+00 -1.349840726e+00 -5.211591882e+00 -1.531253553e+00 2.10 -3.293470804e+00 -2.682305895e+00 -4.484719697e+00 -1.514118974e+00 -5.184842396e+00 -1.453548966e+00 2.12 -3.325939851e+00 -2.754247004e+00 -4.398863354e+00 -1.666072584e+00 -5.145175005e+00 -1.379458811e+00 2.14 -3.352181776e+00 -2.819074609e+00 -4.310718763e+00 -1.806350329e+00 -5.094266582e+00 -1.308842670e+00 2.16 -3.372602322e+00 -2.877177679e+00 -4.220760353e+00 -1.935570864e+00 -5.033630652e+00 -1.241563030e+00 2.18 -3.387586437e+00 -2.928927314e+00 -4.129416725e+00 -2.054324033e+00 -4.964631754e+00 -1.177485510e+00 2.20 -3.397499187e+00 -2.974677499e+00 -4.037074426e+00 -2.163172125e+00 -4.888498596e+00 -1.116479034e+00 2.22 -3.402686626e+00 -3.014765815e+00 -3.944081430e+00 -2.262651076e+00 -4.806336126e+00 -1.058415973e+00 2.24 -3.403476630e+00 -3.049514134e+00 -3.850750333e+00 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