# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al # implementation = 2020--Starikov-S--Si-Au-Al--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 Al Al Al Au Al Si Au Au Au Si Si Si 0.02 5.509946250e+02 -1.074253253e+00 8.013704554e+02 1.946869345e+03 2.259507942e+03 1.158677793e+04 0.04 5.205454781e+02 -1.379387500e+00 8.579756153e+02 1.834138747e+03 2.089694338e+03 1.043649410e+04 0.06 4.917629916e+02 -1.662479546e+00 8.356741465e+02 1.727904875e+03 1.932600540e+03 9.400350730e+03 0.08 4.645561082e+02 -1.911561106e+00 7.966910293e+02 1.627792412e+03 1.787272871e+03 8.467021784e+03 0.10 4.388387627e+02 -2.115026421e+00 7.532598087e+02 1.533447745e+03 1.652829262e+03 7.626305860e+03 0.12 4.145295960e+02 -2.263210678e+00 7.092953589e+02 1.444537663e+03 1.528453667e+03 6.869013640e+03 0.14 3.915516801e+02 -2.304142177e+00 6.663472530e+02 1.360748200e+03 1.413391358e+03 6.186867816e+03 0.16 3.698321337e+02 -2.146748245e+00 6.250873844e+02 1.281783497e+03 1.306944073e+03 5.572411416e+03 0.18 3.493020001e+02 -1.922502888e+00 5.858050998e+02 1.207364770e+03 1.208465924e+03 5.018927641e+03 0.20 3.298960925e+02 -1.632121943e+00 5.486047111e+02 1.137229314e+03 1.117393139e+03 4.520366017e+03 0.22 3.115527961e+02 -1.278840919e+00 5.134948159e+02 1.071129578e+03 1.033229153e+03 4.071276590e+03 0.24 2.942138657e+02 -8.678785543e-01 4.804327657e+02 1.008832284e+03 9.553723505e+02 3.666750010e+03 0.26 2.778242418e+02 -4.061589542e-01 4.493481436e+02 9.502099074e+02 8.833500752e+02 3.302364215e+03 0.28 2.623318925e+02 9.774702416e-02 4.201558072e+02 8.950682138e+02 8.167251906e+02 2.974135891e+03 0.30 2.476877036e+02 6.340900416e-01 3.927635438e+02 8.431074545e+02 7.550932756e+02 2.678476918e+03 0.32 2.338452806e+02 1.192959265e+00 3.670766602e+02 7.941441874e+02 6.980803166e+02 2.412155291e+03 0.34 2.207607643e+02 1.764450164e+00 3.430007625e+02 7.480055659e+02 6.453402652e+02 2.172259834e+03 0.36 2.083927040e+02 2.339047018e+00 3.204435133e+02 7.045287536e+02 5.965530842e+02 1.956168220e+03 0.38 1.967019098e+02 2.907783369e+00 2.993160344e+02 6.635603450e+02 5.514225676e+02 1.761518366e+03 0.40 1.856513403e+02 3.462590216e+00 2.795332620e+02 6.249557921e+02 5.096744920e+02 1.586182547e+03 0.42 1.752059779e+02 3.996330252e+00 2.610140438e+02 5.885788763e+02 4.710551968e+02 1.428244151e+03 0.44 1.653327373e+02 4.502755751e+00 2.436812829e+02 5.543013056e+02 4.353300517e+02 1.285976747e+03 0.46 1.560003707e+02 4.976505929e+00 2.274619575e+02 5.220021979e+02 4.022820062e+02 1.157825199e+03 0.48 1.471793440e+02 5.413147531e+00 2.122870906e+02 4.915674749e+02 3.717102497e+02 1.042388665e+03 0.50 1.388417365e+02 5.809177992e+00 1.980915515e+02 4.628893098e+02 3.434290422e+02 9.384053120e+02 0.52 1.309611536e+02 6.161870229e+00 1.848138461e+02 4.358662345e+02 3.172665542e+02 8.447387304e+02 0.54 1.235126478e+02 6.469268473e+00 1.723958600e+02 4.104025792e+02 2.930638476e+02 7.603655479e+02 0.56 1.164726286e+02 6.730169868e+00 1.607829610e+02 3.864082515e+02 2.706739740e+02 6.843639665e+02 0.58 1.098188023e+02 6.944038352e+00 1.499238456e+02 3.637982244e+02 2.499610254e+02 6.159037008e+02 0.60 1.035300817e+02 7.111012423e+00 1.397703496e+02 3.424925038e+02 2.307992829e+02 5.542368124e+02 0.62 9.758649876e+01 7.231744552e+00 1.302772777e+02 3.224156597e+02 2.130724532e+02 4.986896394e+02 0.64 9.196917077e+01 7.307413553e+00 1.214022776e+02 3.034966675e+02 1.966730228e+02 4.486554117e+02 0.66 8.666024512e+01 7.339650617e+00 1.131056376e+02 2.856684969e+02 1.815016334e+02 4.035874794e+02 0.68 8.164284485e+01 7.330582729e+00 1.053500732e+02 2.688681574e+02 1.674663910e+02 3.629935499e+02 0.70 7.690101762e+01 7.282614604e+00 9.810050615e+01 2.530363439e+02 1.544822878e+02 3.264301684e+02 0.72 7.241968257e+01 7.198321456e+00 9.132412092e+01 2.381172105e+02 1.424707062e+02 2.934976825e+02 0.74 6.818458272e+01 7.080454080e+00 8.499017469e+01 2.240580632e+02 1.313588625e+02 2.638360132e+02 0.76 6.418224295e+01 6.931842148e+00 7.906988467e+01 2.108093292e+02 1.210794424e+02 2.371206273e+02 0.78 6.039992643e+01 6.755361803e+00 7.353630061e+01 1.983242789e+02 1.115702067e+02 2.130592887e+02 0.80 5.682565367e+01 6.553871964e+00 6.836421253e+01 1.865589252e+02 1.027735225e+02 1.913887800e+02 0.82 5.344812577e+01 6.330102543e+00 6.353001303e+01 1.754717271e+02 9.463616497e+01 1.718718390e+02 0.84 5.025665913e+01 6.086598576e+00 5.901163523e+01 1.650236403e+02 8.710882752e+01 1.542949126e+02 0.86 4.724115142e+01 5.825863130e+00 5.478864874e+01 1.551778499e+02 8.014596504e+01 1.384654731e+02 0.88 4.439205047e+01 5.550313693e+00 5.084221682e+01 1.458996328e+02 7.370530148e+01 1.242102104e+02 0.90 4.170031852e+01 5.262273458e+00 4.715471075e+01 1.371561912e+02 6.774775864e+01 1.113729330e+02 0.92 3.915741466e+01 4.963952706e+00 4.370963477e+01 1.289166615e+02 6.223719283e+01 9.981294367e+01 0.94 3.675525742e+01 4.657439909e+00 4.049156710e+01 1.211519586e+02 5.714023072e+01 8.940346618e+01 0.96 3.448619938e+01 4.344693847e+00 3.748602133e+01 1.138346487e+02 5.242602554e+01 8.003011579e+01 0.98 3.234301718e+01 4.027598574e+00 3.467947775e+01 1.069388843e+02 4.806596416e+01 7.158993653e+01 1.00 3.031859680e+01 3.708064795e+00 3.205929437e+01 1.004403274e+02 4.403367687e+01 6.399009899e+01 1.02 2.840552730e+01 3.387861889e+00 2.961355480e+01 9.431605393e+01 4.030468970e+01 5.714701903e+01 1.04 2.659673981e+01 3.068616461e+00 2.733121504e+01 8.854441546e+01 3.685643186e+01 5.098538107e+01 1.06 2.490805336e+01 2.751757377e+00 2.520166367e+01 8.310503831e+01 3.366793950e+01 4.543731410e+01 1.08 2.333944177e+01 2.438595886e+00 2.321466970e+01 7.797879019e+01 3.071990823e+01 4.044168780e+01 1.10 2.185943699e+01 2.130288893e+00 2.136052106e+01 7.314776767e+01 2.799440084e+01 3.594342368e+01 1.12 2.046330673e+01 1.827875829e+00 1.963021661e+01 6.859505544e+01 2.547471684e+01 3.189288578e+01 1.14 1.914642738e+01 1.532198014e+00 1.801531420e+01 6.430476451e+01 2.314531467e+01 2.824538055e+01 1.16 1.790442714e+01 1.244033688e+00 1.650795259e+01 6.026194800e+01 2.099186451e+01 2.496069053e+01 1.18 1.673317224e+01 9.639956806e-01 1.510078819e+01 5.645249448e+01 1.900107195e+01 2.200297352e+01 1.20 1.562875378e+01 6.923953635e-01 1.378698157e+01 5.286310348e+01 1.716060578e+01 1.934005599e+01 1.22 1.458747541e+01 4.295324275e-01 1.256012333e+01 4.948128520e+01 1.545909865e+01 1.694295455e+01 1.24 1.360584162e+01 1.755671409e-01 1.141427517e+01 4.629528761e+01 1.388597919e+01 1.478563141e+01 1.26 1.268054666e+01 -6.934898011e-02 1.034389409e+01 4.329397285e+01 1.243148892e+01 1.284458608e+01 1.28 1.180846408e+01 -3.051428542e-01 9.343771248e+00 4.046685808e+01 1.108658753e+01 1.109876059e+01 1.30 1.098663688e+01 -5.317734259e-01 8.409178087e+00 3.780388487e+01 9.842889610e+00 9.529089541e+00 1.32 1.021226812e+01 -7.492783662e-01 7.536432216e+00 3.529556958e+01 8.692684103e+00 8.118560417e+00 1.34 9.482712113e+00 -9.576990468e-01 6.722899837e+00 3.293286902e+01 7.629006513e+00 6.851692984e+00 1.36 8.795466062e+00 -1.157149028e+00 5.965950637e+00 3.070734113e+01 6.645611750e+00 5.714763169e+00 1.38 8.148162155e+00 -1.347755124e+00 5.262747854e+00 2.861100726e+01 5.736773536e+00 4.695189521e+00 1.40 7.538560111e+00 -1.529679170e+00 4.610825603e+00 2.663633420e+01 4.897177969e+00 3.781900324e+00 1.42 6.964540121e+00 -1.703095801e+00 4.020023111e+00 2.477618950e+01 4.121959354e+00 2.964376039e+00 1.44 6.424096177e+00 -1.868162503e+00 3.484445859e+00 2.302388311e+01 3.406609633e+00 2.232894395e+00 1.46 5.915329776e+00 -2.025054008e+00 2.994005722e+00 2.137309032e+01 2.746974862e+00 1.578448068e+00 1.48 5.436443968e+00 -2.173957314e+00 2.546289368e+00 1.981785564e+01 2.139254503e+00 9.930485779e-01 1.50 4.985737735e+00 -2.315097970e+00 2.138800919e+00 1.835280423e+01 1.579911380e+00 4.693617358e-01 1.52 4.561600696e+00 -2.448953928e+00 1.770136167e+00 1.697299759e+01 1.065713545e+00 8.206579642e-04 1.54 4.162508106e+00 -2.576157824e+00 1.437865037e+00 1.567378038e+01 5.936703838e-01 -4.185287993e-01 1.56 3.787016158e+00 -2.697137412e+00 1.139454160e+00 1.445076936e+01 1.609596038e-01 -7.941083854e-01 1.58 3.433757569e+00 -2.797259754e+00 8.738603364e-01 1.329987895e+01 -2.353204171e-01 -1.130728133e+00 1.60 3.101437459e+00 -2.883425555e+00 6.385927601e-01 1.221725860e+01 -5.981352598e-01 -1.432887585e+00 1.62 2.788829510e+00 -2.963504600e+00 4.312493844e-01 1.119924189e+01 -9.303245734e-01 -1.704487966e+00 1.64 2.494772442e+00 -3.037763657e+00 2.510026744e-01 1.024245409e+01 -1.234502829e+00 -1.949177180e+00 1.66 2.218166822e+00 -3.106456902e+00 9.538565251e-02 9.343728763e+00 -1.513141275e+00 -2.170239212e+00 1.68 1.957972246e+00 -3.169839100e+00 -3.821140492e-02 8.499994573e+00 -1.768529511e+00 -2.370505381e+00 1.70 1.713204994e+00 -3.228153667e+00 -1.524263138e-01 7.708277884e+00 -2.002851043e+00 -2.551327934e+00 1.72 1.482936260e+00 -3.281641492e+00 -2.492932336e-01 6.965521329e+00 -2.218096063e+00 -2.711956354e+00 1.74 1.266291156e+00 -3.330536109e+00 -3.313654183e-01 6.268714637e+00 -2.416195107e+00 -2.851264020e+00 1.76 1.062448771e+00 -3.375060280e+00 -4.005813826e-01 5.615103349e+00 -2.598876407e+00 -2.968380637e+00 1.78 8.706437215e-01 -3.415446370e+00 -4.589508479e-01 5.002075392e+00 -2.767871511e+00 -3.062522837e+00 1.80 6.882594381e-01 -3.451802106e+00 -5.092043397e-01 4.421645870e+00 -2.926349498e+00 -3.133315528e+00 1.82 4.847710632e-01 -3.485389652e+00 -5.812441032e-01 3.786652805e+00 -3.102178014e+00 -3.201029385e+00 1.84 3.136654352e-01 -3.513934379e+00 -6.230111362e-01 3.241759525e+00 -3.248851203e+00 -3.235105599e+00 1.86 1.455087120e-01 -3.538691352e+00 -6.638053931e-01 2.706029163e+00 -3.389017256e+00 -3.252207736e+00 1.88 -1.918919695e-02 -3.560047487e+00 -7.037871533e-01 2.181124723e+00 -3.519869028e+00 -3.249960831e+00 1.90 -1.799270475e-01 -3.578085801e+00 -7.430449673e-01 1.668755685e+00 -3.638412633e+00 -3.227825066e+00 1.92 -3.362121984e-01 -3.593060586e+00 -7.817101807e-01 1.170808068e+00 -3.742606377e+00 -3.186528759e+00 1.94 -4.875566527e-01 -3.605363941e+00 -8.197718900e-01 6.892381374e-01 -3.829975258e+00 -3.124634960e+00 1.96 -6.334842219e-01 -3.615015613e+00 -8.695177958e-01 2.259883534e-01 -3.899424934e+00 -3.044183035e+00 1.98 -7.735203801e-01 -3.622575197e+00 -9.268547909e-01 -2.169976347e-01 -3.949137604e+00 -2.947751270e+00 2.00 -9.072050562e-01 -3.628414088e+00 -9.825249087e-01 -6.378005388e-01 -3.979131900e+00 -2.835500531e+00 2.02 -1.034081028e+00 -3.632736116e+00 -1.063539517e+00 -1.034494881e+00 -3.988270339e+00 -2.711781264e+00 2.04 -1.153696443e+00 -3.636245496e+00 -1.151656671e+00 -1.405175643e+00 -3.977784369e+00 -2.582955443e+00 2.06 -1.265706264e+00 -3.638971460e+00 -1.233409300e+00 -1.748304055e+00 -3.947247125e+00 -2.452342415e+00 2.08 -1.370263971e+00 -3.641558014e+00 -1.308964054e+00 -2.064390054e+00 -3.899008654e+00 -2.324889610e+00 2.10 -1.467653171e+00 -3.643853254e+00 -1.378577852e+00 -2.354763731e+00 -3.837099941e+00 -2.202184698e+00 2.12 -1.558151430e+00 -3.645954876e+00 -1.442493609e+00 -2.620715644e+00 -3.764295102e+00 -2.085220423e+00 2.14 -1.642029333e+00 -3.648038074e+00 -1.500943570e+00 -2.863563302e+00 -3.684119499e+00 -1.973850238e+00 2.16 -1.719553289e+00 -3.650263042e+00 -1.554150656e+00 -3.084598820e+00 -3.599094340e+00 -1.867520689e+00 2.18 -1.790985176e+00 -3.652174452e+00 -1.602329012e+00 -3.284569003e+00 -3.510629578e+00 -1.765825464e+00 2.20 -1.856583314e+00 -3.654040741e+00 -1.645683525e+00 -3.463965607e+00 -3.420455933e+00 -1.667789107e+00 2.22 -1.916597165e+00 -3.655755131e+00 -1.684406008e+00 -3.623481248e+00 -3.329757481e+00 -1.572219244e+00 2.24 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