# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In # implementation = 2009--Do-E-C--Ga-In--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 In In 0.02 5.185206574e+02 4.246093234e+02 7.249784711e+02 0.04 4.942686290e+02 4.062156042e+02 6.929490489e+02 0.06 4.710771862e+02 3.885625901e+02 6.622636289e+02 0.08 4.489020317e+02 3.716220173e+02 6.328677461e+02 0.10 4.277006537e+02 3.553666492e+02 6.047090846e+02 0.12 4.074322566e+02 3.397702410e+02 5.777373957e+02 0.14 3.880576934e+02 3.248075055e+02 5.519044172e+02 0.16 3.695394009e+02 3.104540797e+02 5.271637968e+02 0.18 3.518413375e+02 2.966864931e+02 5.034710184e+02 0.20 3.349289232e+02 2.834821361e+02 4.807833305e+02 0.22 3.187689827e+02 2.708192303e+02 4.590596781e+02 0.24 3.033296889e+02 2.586767993e+02 4.382606368e+02 0.26 2.885805108e+02 2.470346406e+02 4.183483493e+02 0.28 2.744921616e+02 2.358732987e+02 3.992864648e+02 0.30 2.610365499e+02 2.251740384e+02 3.810400803e+02 0.32 2.481867321e+02 2.149188196e+02 3.635756840e+02 0.34 2.359168671e+02 2.050902728e+02 3.468611016e+02 0.36 2.242021725e+02 1.956716752e+02 3.308654436e+02 0.38 2.130188826e+02 1.866469278e+02 3.155590556e+02 0.40 2.023442082e+02 1.780005335e+02 3.009134700e+02 0.42 1.921562972e+02 1.697175751e+02 2.869013594e+02 0.44 1.824341979e+02 1.617836953e+02 2.734964924e+02 0.46 1.731578229e+02 1.541850760e+02 2.606736902e+02 0.48 1.643079144e+02 1.469084195e+02 2.484087858e+02 0.50 1.558660112e+02 1.399409294e+02 2.366785843e+02 0.52 1.478144171e+02 1.332702931e+02 2.254608244e+02 0.54 1.401361699e+02 1.268846637e+02 2.147341422e+02 0.56 1.328150123e+02 1.207726439e+02 2.044780357e+02 0.58 1.258353635e+02 1.149232690e+02 1.946728307e+02 0.60 1.191822920e+02 1.093259918e+02 1.852996486e+02 0.62 1.128414895e+02 1.039706674e+02 1.763403751e+02 0.64 1.067992461e+02 9.884753809e+01 1.677776294e+02 0.66 1.010424259e+02 9.394721975e+01 1.595947361e+02 0.68 9.555844402e+01 8.926068799e+01 1.517756968e+02 0.70 9.033524436e+01 8.477926502e+01 1.443051633e+02 0.72 8.536127817e+01 8.049460695e+01 1.371684124e+02 0.74 8.062548364e+01 7.639869155e+01 1.303513205e+02 0.76 7.611726612e+01 7.248380642e+01 1.238403401e+02 0.78 7.182647922e+01 6.874253755e+01 1.176224773e+02 0.80 6.774340663e+01 6.516775834e+01 1.116852692e+02 0.82 6.385874463e+01 6.175261897e+01 1.060167630e+02 0.84 6.016358534e+01 5.849053614e+01 1.006054960e+02 0.86 5.664940056e+01 5.537518317e+01 9.544047564e+01 0.88 5.330802634e+01 5.240048051e+01 9.051116120e+01 0.90 5.013164805e+01 4.956058649e+01 8.580744538e+01 0.92 4.711278614e+01 4.684988847e+01 8.131963719e+01 0.94 4.424428241e+01 4.426299431e+01 7.703844527e+01 0.96 4.151928678e+01 4.179472405e+01 7.295496192e+01 0.98 3.893124470e+01 3.944010204e+01 6.906064767e+01 1.00 3.647388491e+01 3.719434922e+01 6.534731659e+01 1.02 3.414120785e+01 3.505287573e+01 6.180712205e+01 1.04 3.192747431e+01 3.301127378e+01 5.843254310e+01 1.06 2.982719478e+01 3.106531080e+01 5.521637137e+01 1.08 2.783511900e+01 2.921092281e+01 5.215169849e+01 1.10 2.594622604e+01 2.744420803e+01 4.923190403e+01 1.12 2.415571475e+01 2.576142069e+01 4.645064380e+01 1.14 2.245899460e+01 2.415896520e+01 4.380183878e+01 1.16 2.085167680e+01 2.263339032e+01 4.127966437e+01 1.18 1.932956590e+01 2.118138374e+01 3.887854006e+01 1.20 1.788865163e+01 1.979976674e+01 3.659311960e+01 1.22 1.652510108e+01 1.848548908e+01 3.441828145e+01 1.24 1.523525121e+01 1.723562406e+01 3.234911966e+01 1.26 1.401560165e+01 1.604736381e+01 3.038093515e+01 1.28 1.286280779e+01 1.491801471e+01 2.850922722e+01 1.30 1.177367413e+01 1.384499297e+01 2.672968555e+01 1.32 1.074514790e+01 1.282582038e+01 2.503818236e+01 1.34 9.774312970e+00 1.185812028e+01 2.343076500e+01 1.36 8.858383952e+00 1.093961354e+01 2.190364876e+01 1.38 7.994700590e+00 1.006811486e+01 2.045321002e+01 1.40 7.180722341e+00 9.241529042e+00 1.907597966e+01 1.42 6.414023201e+00 8.457847536e+00 1.776863667e+01 1.44 5.692286726e+00 7.715145009e+00 1.652800211e+01 1.46 5.013301275e+00 7.011576112e+00 1.535103325e+01 1.48 4.374955430e+00 6.345372326e+00 1.423481797e+01 1.50 3.775233628e+00 5.714838949e+00 1.317656935e+01 1.52 3.212211955e+00 5.118352180e+00 1.217362053e+01 1.54 2.684054131e+00 4.554356319e+00 1.122341973e+01 1.56 2.189007659e+00 4.021361067e+00 1.032352549e+01 1.58 1.725400138e+00 3.517938932e+00 9.471602105e+00 1.60 1.291635733e+00 3.042722727e+00 8.665415212e+00 1.62 8.861917987e-01 2.594403168e+00 7.902827610e+00 1.64 5.076156461e-01 2.171726551e+00 7.181795194e+00 1.66 1.545214516e-01 1.773492533e+00 6.500363088e+00 1.68 -1.744126998e-01 1.398551978e+00 5.856661911e+00 1.70 -4.804476419e-01 1.045804903e+00 5.248904213e+00 1.72 -7.647858292e-01 7.141984875e-01 4.675381043e+00 1.74 -1.028573921e+00 4.027251649e-01 4.134458657e+00 1.76 -1.272905249e+00 1.104207890e-01 3.624575368e+00 1.78 -1.498822174e+00 -1.636371342e-01 3.144238509e+00 1.80 -1.707318341e+00 -4.203311433e-01 2.692021536e+00 1.82 -1.899340830e+00 -6.605054546e-01 2.266561235e+00 1.84 -2.075792210e+00 -8.849675304e-01 1.866555050e+00 1.86 -2.237532502e+00 -1.094489588e+00 1.490758521e+00 1.88 -2.385381053e+00 -1.289810046e+00 1.137982818e+00 1.90 -2.520118325e+00 -1.471634923e+00 8.070923848e-01 1.92 -2.642487603e+00 -1.640639166e+00 4.970026767e-01 1.94 -2.753196627e+00 -1.797467943e+00 2.066779874e-01 1.96 -2.852919152e+00 -1.942737871e+00 -6.487063186e-02 1.98 -2.942296433e+00 -2.077038203e+00 -3.185873677e-01 2.00 -3.021938649e+00 -2.200931963e+00 -5.553735601e-01 2.02 -3.092426261e+00 -2.314957039e+00 -7.760895366e-01 2.04 -3.154311307e+00 -2.419627228e+00 -9.815563735e-01 2.06 -3.208118647e+00 -2.515433241e+00 -1.172557582e+00 2.08 -3.254347145e+00 -2.602843667e+00 -1.349840726e+00 2.10 -3.293470804e+00 -2.682305895e+00 -1.514118974e+00 2.12 -3.325939851e+00 -2.754247004e+00 -1.666072584e+00 2.14 -3.352181776e+00 -2.819074609e+00 -1.806350329e+00 2.16 -3.372602322e+00 -2.877177679e+00 -1.935570864e+00 2.18 -3.387586437e+00 -2.928927314e+00 -2.054324033e+00 2.20 -3.397499187e+00 -2.974677499e+00 -2.163172125e+00 2.22 -3.402686626e+00 -3.014765815e+00 -2.262651076e+00 2.24 -3.403476630e+00 -3.049514134e+00 -2.353271618e+00 2.26 -3.400179702e+00 -3.079229272e+00 -2.435520390e+00 2.28 -3.393089739e+00 -3.104203626e+00 -2.509860988e+00 2.30 -3.382484764e+00 -3.124715776e+00 -2.576734983e+00 2.32 -3.368627638e+00 -3.141031066e+00 -2.636562890e+00 2.34 -3.351766736e+00 -3.153402164e+00 -2.689745099e+00 2.36 -3.332136591e+00 -3.162069590e+00 -2.736662764e+00 2.38 -3.309958526e+00 -3.167262231e+00 -2.777678659e+00 2.40 -3.285441242e+00 -3.169197830e+00 -2.813137994e+00 2.42 -3.258781399e+00 -3.168083457e+00 -2.843369196e+00 2.44 -3.230164159e+00 -3.164115960e+00 -2.868684661e+00 2.46 -3.199763714e+00 -3.157482398e+00 -2.889381470e+00 2.48 -3.167743789e+00 -3.148360454e+00 -2.905742077e+00 2.50 -3.134258123e+00 -3.136918837e+00 -2.918034967e+00 2.52 -3.099450929e+00 -3.123317662e+00 -2.926515287e+00 2.54 -3.063457332e+00 -3.107708817e+00 -2.931425443e+00 2.56 -3.026403789e+00 -3.090236319e+00 -2.932995687e+00 2.58 -2.988408481e+00 -3.071036648e+00 -2.931444661e+00 2.60 -2.949581696e+00 -3.050239077e+00 -2.926979930e+00 2.62 -2.910026179e+00 -3.027965980e+00 -2.919798486e+00 2.64 -2.869837470e+00 -3.004333136e+00 -2.910087232e+00 2.66 -2.829104213e+00 -2.979450018e+00 -2.898023447e+00 2.68 -2.787908450e+00 -2.953420066e+00 -2.883775229e+00 2.70 -2.746325888e+00 -2.926340959e+00 -2.867501915e+00 2.72 -2.704426142e+00 -2.898304866e+00 -2.849354493e+00 2.74 -2.662272953e+00 -2.869398694e+00 -2.829475984e+00 2.76 -2.619924376e+00 -2.839704324e+00 -2.808001815e+00 2.78 -2.577432944e+00 -2.809298836e+00 -2.785060176e+00 2.80 -2.534845792e+00 -2.778254724e+00 -2.760772355e+00 2.82 -2.492204751e+00 -2.746640105e+00 -2.735253065e+00 2.84 -2.449546393e+00 -2.714518915e+00 -2.708610753e+00 2.86 -2.406902035e+00 -2.681951097e+00 -2.680947899e+00 2.88 -2.364297687e+00 -2.648992781e+00 -2.652361293e+00 2.90 -2.321753938e+00 -2.615696451e+00 -2.622942313e+00 2.92 -2.279285762e+00 -2.582111104e+00 -2.592777178e+00 2.94 -2.236902245e+00 -2.548282401e+00 -2.561947198e+00 2.96 -2.194606203e+00 -2.514252805e+00 -2.530529009e+00 2.98 -2.152393673e+00 -2.480061713e+00 -2.498594801e+00 3.00 -2.110253254e+00 -2.445745566e+00 -2.466212529e+00 3.02 -2.068165273e+00 -2.411337965e+00 -2.433446122e+00 3.04 -2.026100719e+00 -2.376869760e+00 -2.400355679e+00 3.06 -1.984019920e+00 -2.342369131e+00 -2.366997657e+00 3.08 -1.941870896e+00 -2.307861663e+00 -2.333425049e+00 3.10 -1.899587325e+00 -2.273370397e+00 -2.299687555e+00 3.12 -1.857086055e+00 -2.238915873e+00 -2.265831747e+00 3.14 -1.814264079e+00 -2.204516156e+00 -2.231901224e+00 3.16 -1.770994909e+00 -2.170186843e+00 -2.197936758e+00 3.18 -1.727124271e+00 -2.135941061e+00 -2.163976443e+00 3.20 -1.682465136e+00 -2.101789437e+00 -2.130055822e+00 3.22 -1.636792151e+00 -2.067740058e+00 -2.096208023e+00 3.24 -1.589835728e+00 -2.033798402e+00 -2.062463878e+00 3.26 -1.541276359e+00 -1.999967257e+00 -2.028852043e+00 3.28 -1.490740197e+00 -1.966246615e+00 -1.995399111e+00 3.30 -1.437797740e+00 -1.932633540e+00 -1.962129717e+00 3.32 -1.381968548e+00 -1.899122019e+00 -1.929066641e+00 3.34 -1.322736407e+00 -1.865702787e+00 -1.896230907e+00 3.36 -1.259580959e+00 -1.832363139e+00 -1.863641874e+00 3.38 -1.192033024e+00 -1.799086713e+00 -1.831317325e+00 3.40 -1.119760245e+00 -1.765853274e+00 -1.799273555e+00 3.42 -1.042685336e+00 -1.732638482e+00 -1.767525448e+00 3.44 -9.611284735e-01 -1.699413680e+00 -1.736086555e+00 3.46 -8.759476076e-01 -1.666145697e+00 -1.704969170e+00 3.48 -7.886296030e-01 -1.632796714e+00 -1.674184398e+00 3.50 -7.012730884e-01 -1.599324204e+00 -1.643742222e+00 3.52 -6.164174136e-01 -1.565681019e+00 -1.613651569e+00 3.54 -5.367200079e-01 -1.531815659e+00 -1.583920370e+00 3.56 -4.645519387e-01 -1.497672820e+00 -1.554555618e+00 3.58 -4.016300246e-01 -1.463194309e+00 -1.525563424e+00 3.60 -3.487979112e-01 -1.428320438e+00 -1.496949070e+00 3.62 -3.060078841e-01 -1.392992024e+00 -1.468717063e+00 3.64 -2.724775293e-01 -1.357153132e+00 -1.440871177e+00 3.66 -2.469440461e-01 -1.320754660e+00 -1.413414505e+00 3.68 -2.279315309e-01 -1.283758854e+00 -1.386349499e+00 3.70 -2.139711248e-01 -1.246144742e+00 -1.359678017e+00 3.72 -2.037479313e-01 -1.207914344e+00 -1.333401357e+00 3.74 -1.961756362e-01 -1.169099355e+00 -1.307520298e+00 3.76 -1.904144045e-01 -1.129767741e+00 -1.282035139e+00 3.78 -1.858518426e-01 -1.090029478e+00 -1.256945728e+00 3.80 -1.820648548e-01 -1.050040444e+00 -1.232251499e+00 3.82 -1.787757122e-01 -1.010003370e+00 -1.207951500e+00 3.84 -1.758108069e-01 -9.701648853e-01 -1.184044424e+00 3.86 -1.730664509e-01 -9.308079936e-01 -1.160528635e+00 3.88 -1.704830710e-01 -8.922399385e-01 -1.137402199e+00 3.90 -1.680272622e-01 -8.547761841e-01 -1.114662901e+00 3.92 -1.651504640e-01 -8.165495970e-01 -1.089900776e+00 3.94 -1.551702408e-01 -7.510722118e-01 -1.032474248e+00 3.96 -1.221787786e-01 -5.948541336e-01 -8.617989300e-01 3.98 -5.549172864e-02 -2.924826820e-01 -4.721670898e-01 4.00 -4.960452393e-29 -2.298453354e-27 -6.332845669e-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 4.20 0.000000000e+00 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