# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Starikov-S-V-Lopanitsyna-N-Y-Smirnova-D-E-Makarov-S-V--Si-Au # implementation = 2018--Starikov-S-V--Si-Au--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 Au Au Au Si Si Si 0.02 7.140872139e+02 1.004734903e+03 1.303289602e+03 0.04 6.788444422e+02 9.384071863e+02 1.207796244e+03 0.06 6.453268439e+02 8.764294191e+02 1.119266174e+03 0.08 6.134499651e+02 8.185166002e+02 1.037191656e+03 0.10 5.831335038e+02 7.644024063e+02 9.611020320e+02 0.12 5.543010955e+02 7.138379392e+02 8.905609624e+02 0.14 5.268801270e+02 6.665906104e+02 8.251639592e+02 0.16 5.008015475e+02 6.224430570e+02 7.645360113e+02 0.18 4.759996970e+02 5.811921508e+02 7.083293585e+02 0.20 4.524121375e+02 5.426480614e+02 6.562215413e+02 0.22 4.299794964e+02 5.066333875e+02 6.079136271e+02 0.24 4.086453146e+02 4.729823363e+02 5.631284747e+02 0.26 3.883559044e+02 4.415399723e+02 5.216091560e+02 0.28 3.690602125e+02 4.121614976e+02 4.831174756e+02 0.30 3.507096909e+02 3.847115935e+02 4.474326111e+02 0.32 3.332581732e+02 3.590637946e+02 4.143498367e+02 0.34 3.166617580e+02 3.350999167e+02 3.836793589e+02 0.36 3.008786967e+02 3.127095071e+02 3.552452204e+02 0.38 2.858692882e+02 2.917893442e+02 3.288842930e+02 0.40 2.715957774e+02 2.722429619e+02 3.044453401e+02 0.42 2.580222597e+02 2.539802083e+02 2.817881568e+02 0.44 2.451145894e+02 2.369168344e+02 2.607827544e+02 0.46 2.328402933e+02 2.209741048e+02 2.413086289e+02 0.48 2.211684880e+02 2.060784431e+02 2.232541360e+02 0.50 2.100698014e+02 1.921610890e+02 2.065158481e+02 0.52 1.995162979e+02 1.791577876e+02 1.909978866e+02 0.54 1.894814079e+02 1.670084935e+02 1.766113760e+02 0.56 1.799398597e+02 1.556570956e+02 1.632739276e+02 0.58 1.708676156e+02 1.450511645e+02 1.509091683e+02 0.60 1.622418109e+02 1.351417198e+02 1.394463025e+02 0.62 1.540406958e+02 1.258830025e+02 1.288197047e+02 0.64 1.462435801e+02 1.172322568e+02 1.189685421e+02 0.66 1.388307807e+02 1.091495347e+02 1.098364254e+02 0.68 1.317835719e+02 1.015975140e+02 1.013710824e+02 0.70 1.250841380e+02 9.454132496e+01 9.352406136e+01 0.72 1.187155276e+02 8.794839361e+01 8.625045318e+01 0.74 1.126616116e+02 8.178828792e+01 7.950862736e+01 0.76 1.069070418e+02 7.603257993e+01 7.325999435e+01 0.78 1.014372122e+02 7.065471519e+01 6.746873530e+01 0.80 9.623822281e+01 6.562988961e+01 6.210154530e+01 0.82 9.129684373e+01 6.093493562e+01 5.712752858e+01 0.84 8.660048262e+01 5.654821581e+01 5.251803679e+01 0.86 8.213715282e+01 5.244952064e+01 4.824650591e+01 0.88 7.789544335e+01 4.861997576e+01 4.428830097e+01 0.90 7.386449045e+01 4.504195720e+01 4.062058131e+01 0.92 7.003395048e+01 4.169900441e+01 3.722216119e+01 0.94 6.639397422e+01 3.857574942e+01 3.407339708e+01 0.96 6.293518242e+01 3.565783912e+01 3.115607041e+01 0.98 5.964864267e+01 3.293187394e+01 2.845328585e+01 1.00 5.652584736e+01 3.038534090e+01 2.594937343e+01 1.02 5.355869282e+01 2.800655622e+01 2.362979929e+01 1.04 5.073945951e+01 2.578461312e+01 2.148108352e+01 1.06 4.806079323e+01 2.370932481e+01 1.949072460e+01 1.08 4.551568729e+01 2.177117998e+01 1.764714479e+01 1.10 4.309746567e+01 1.996127374e+01 1.593972759e+01 1.12 4.079976693e+01 1.827127912e+01 1.435866329e+01 1.14 3.861652912e+01 1.669341816e+01 1.289487086e+01 1.16 3.654197537e+01 1.522042473e+01 1.153993168e+01 1.18 3.457060033e+01 1.384551007e+01 1.028605158e+01 1.20 3.269715724e+01 1.256233047e+01 9.126008250e+00 1.22 3.091664585e+01 1.136495825e+01 8.053113815e+00 1.24 2.922430084e+01 1.024785098e+01 7.061172429e+00 1.26 2.761558098e+01 9.205826983e+00 6.144447700e+00 1.28 2.608615885e+01 8.234041852e+00 5.297627674e+00 1.30 2.463191117e+01 7.327962755e+00 4.515793418e+00 1.32 2.324890969e+01 6.483348544e+00 3.794389764e+00 1.34 2.193341251e+01 5.696230458e+00 3.129201758e+00 1.36 2.068185605e+01 4.962890597e+00 2.516326687e+00 1.38 1.949084739e+01 4.279846961e+00 1.952139891e+00 1.40 1.835715713e+01 3.643836797e+00 1.433118937e+00 1.42 1.727771267e+01 3.051801609e+00 9.558682868e-01 1.44 1.624959189e+01 2.500871730e+00 5.172204997e-01 1.46 1.527001730e+01 1.988355045e+00 1.142245454e-01 1.48 1.433635049e+01 1.511722700e+00 -2.558736191e-01 1.50 1.344608701e+01 1.068601301e+00 -5.956410235e-01 1.52 1.259685157e+01 6.567592946e-01 -9.074778638e-01 1.54 1.178639364e+01 2.740989691e-01 -1.193619598e+00 1.56 1.101258328e+01 -8.135126699e-02 -1.456158431e+00 1.58 1.027340732e+01 -4.114310103e-01 -1.697050574e+00 1.60 9.566965936e+00 -7.177288186e-01 -1.918123097e+00 1.62 8.891469325e+00 -1.001662340e+00 -2.121089433e+00 1.64 8.245234821e+00 -1.264551362e+00 -2.307549524e+00 1.66 7.626684193e+00 -1.507624271e+00 -2.479006193e+00 1.68 7.034341216e+00 -1.732022307e+00 -2.636856938e+00 1.70 6.466829491e+00 -1.938804498e+00 -2.781708733e+00 1.72 5.922870494e+00 -2.128949501e+00 -2.912938666e+00 1.74 5.401281856e+00 -2.303361834e+00 -3.029739052e+00 1.76 4.796270149e+00 -2.494073570e+00 -3.154784127e+00 1.78 4.296474736e+00 -2.650015658e+00 -3.247667422e+00 1.80 3.797738817e+00 -2.802948579e+00 -3.331888636e+00 1.82 3.301184503e+00 -2.952245161e+00 -3.405812518e+00 1.84 2.808705432e+00 -3.097034033e+00 -3.467905093e+00 1.86 2.322208602e+00 -3.236412338e+00 -3.516951494e+00 1.88 1.843604813e+00 -3.369448569e+00 -3.552101574e+00 1.90 1.374813071e+00 -3.495185969e+00 -3.572909849e+00 1.92 9.177443858e-01 -3.612636634e+00 -3.579371810e+00 1.94 4.743008585e-01 -3.720799541e+00 -3.571934348e+00 1.96 4.636931602e-02 -3.818658501e+00 -3.551497384e+00 1.98 -3.641859260e-01 -3.905194979e+00 -3.519413440e+00 2.00 -7.555272020e-01 -3.979386999e+00 -3.477453904e+00 2.02 -1.125850417e+00 -4.040229129e+00 -3.427905767e+00 2.04 -1.473387936e+00 -4.086724793e+00 -3.374208520e+00 2.06 -1.796659760e+00 -4.118040451e+00 -3.319734505e+00 2.08 -2.095743990e+00 -4.134385693e+00 -3.266384807e+00 2.10 -2.371339705e+00 -4.136729377e+00 -3.215035276e+00 2.12 -2.624199977e+00 -4.127689583e+00 -3.166009088e+00 2.14 -2.855135815e+00 -4.106587954e+00 -3.119206780e+00 2.16 -3.065017164e+00 -4.075731728e+00 -3.074227944e+00 2.18 -3.254772964e+00 -4.036391027e+00 -3.030420351e+00 2.20 -3.425332929e+00 -3.989817823e+00 -2.986972846e+00 2.22 -3.579317214e+00 -3.937203646e+00 -2.942893435e+00 2.24 -3.715458641e+00 -3.879640449e+00 -2.897068389e+00 2.26 -3.836076064e+00 -3.818184150e+00 -2.848300700e+00 2.28 -3.942249923e+00 -3.753825253e+00 -2.795336799e+00 2.30 -4.035054425e+00 -3.687497936e+00 -2.736898999e+00 2.32 -4.115561164e+00 -3.620062898e+00 -2.671677230e+00 2.34 -4.184847601e+00 -3.552306089e+00 -2.598367351e+00 2.36 -4.243899191e+00 -3.484832590e+00 -2.516037805e+00 2.38 -4.293333429e+00 -3.417852183e+00 -2.425154913e+00 2.40 -4.333659134e+00 -3.351447219e+00 -2.326547733e+00 2.42 -4.365360204e+00 -3.285659672e+00 -2.221096597e+00 2.44 -4.388895557e+00 -3.220502337e+00 -2.109744052e+00 2.46 -4.404699121e+00 -3.155960489e+00 -1.993471973e+00 2.48 -4.413180983e+00 -3.092003465e+00 -1.873315941e+00 2.50 -4.414728299e+00 -3.028587720e+00 -1.750335522e+00 2.52 -4.409706748e+00 -2.965666606e+00 -1.625629181e+00 2.54 -4.398462157e+00 -2.903194375e+00 -1.500293859e+00 2.56 -4.381321581e+00 -2.841133249e+00 -1.375437033e+00 2.58 -4.358595078e+00 -2.779461055e+00 -1.252149478e+00 2.60 -4.330576147e+00 -2.718176123e+00 -1.131496821e+00 2.62 -4.297542920e+00 -2.657305171e+00 -1.014502480e+00 2.64 -4.259757398e+00 -2.596908849e+00 -9.021345612e-01 2.66 -4.217448301e+00 -2.537060633e+00 -7.951663660e-01 2.68 -4.170801470e+00 -2.477790642e+00 -6.940163966e-01 2.70 -4.120015059e+00 -2.419064239e+00 -5.990138680e-01 2.72 -4.065305215e+00 -2.360801221e+00 -5.104350385e-01 2.74 -4.006907174e+00 -2.302936093e+00 -4.285001578e-01 2.76 -3.945076381e+00 -2.245423722e+00 -3.533711740e-01 2.78 -3.880088749e+00 -2.188239788e+00 -2.851442536e-01 2.80 -3.812240555e+00 -2.131383265e+00 -2.236908523e-01 2.82 -3.741849027e+00 -2.074878877e+00 -1.686428902e-01 2.84 -3.669252740e+00 -2.018777301e+00 -1.196107016e-01 2.86 -3.594810727e+00 -1.963157196e+00 -7.620102454e-02 2.88 -3.518901836e+00 -1.908125277e+00 -3.801922351e-02 2.90 -3.441925565e+00 -1.853817621e+00 -4.672716041e-03 2.92 -3.364300158e+00 -1.800398844e+00 2.422732504e-02 2.94 -3.286458407e+00 -1.748059780e+00 4.906386389e-02 2.96 -3.208714086e+00 -1.696907754e+00 7.024624566e-02 2.98 -3.131179717e+00 -1.646900773e+00 8.819994524e-02 3.00 -3.053936977e+00 -1.597979968e+00 1.033033370e-01 3.02 -2.977051513e+00 -1.550080691e+00 1.158879319e-01 3.04 -2.900570875e+00 -1.503130686e+00 1.262436891e-01 3.06 -2.824526607e+00 -1.457049256e+00 1.346234931e-01 3.08 -2.748932145e+00 -1.411746291e+00 1.412472293e-01 3.10 -2.673785146e+00 -1.367122007e+00 1.463054757e-01 3.12 -2.599062680e+00 -1.323067699e+00 1.499627205e-01 3.14 -2.524727176e+00 -1.279463195e+00 1.523599894e-01 3.16 -2.450722292e+00 -1.236175850e+00 1.536171359e-01 3.18 -2.376976999e+00 -1.193060343e+00 1.538350994e-01 3.20 -2.303402118e+00 -1.149957681e+00 1.530977642e-01 3.22 -2.229894729e+00 -1.106694797e+00 1.514735844e-01 3.24 -2.156339397e+00 -1.063091535e+00 1.490169821e-01 3.26 -2.082752109e+00 -1.019106160e+00 1.457720922e-01 3.28 -2.009280807e+00 -9.748407595e-01 1.417845415e-01 3.30 -1.936084985e+00 -9.304141467e-01 1.371060441e-01 3.32 -1.863332717e+00 -8.859553947e-01 1.317936970e-01 3.34 -1.791198048e+00 -8.416050753e-01 1.259096180e-01 3.36 -1.719862871e+00 -7.975155805e-01 1.195202561e-01 3.38 -1.649514076e+00 -7.538485683e-01 1.126955987e-01 3.40 -1.580346591e+00 -7.107770810e-01 1.055088689e-01 3.42 -1.512557649e+00 -6.684855678e-01 9.803588108e-02 3.44 -1.446351712e+00 -6.271664892e-01 9.035420247e-02 3.46 -1.381937246e+00 -5.870218667e-01 8.254290110e-02 3.48 -1.319526427e+00 -5.482617102e-01 7.468178346e-02 3.50 -1.259332600e+00 -5.111033355e-01 6.685102074e-02 3.52 -1.201574171e+00 -4.757696464e-01 5.913055243e-02 3.54 -1.146455025e+00 -4.424753822e-01 5.159732707e-02 3.56 -1.094035322e+00 -4.113025160e-01 4.430234843e-02 3.58 -1.044279769e+00 -3.822452654e-01 3.727722125e-02 3.60 -9.971426668e-01 -3.552876050e-01 3.054808221e-02 3.62 -9.525687019e-01 -3.304045078e-01 2.413632224e-02 3.64 -9.104940736e-01 -3.075622599e-01 1.805910763e-02 3.66 -8.708464314e-01 -2.867191608e-01 1.232989480e-02 3.68 -8.335460393e-01 -2.678257320e-01 6.958800157e-03 3.70 -7.985055407e-01 -2.508252631e-01 1.952978269e-03 3.72 -7.656310830e-01 -2.356545553e-01 -2.682979476e-03 3.74 -7.348225967e-01 -2.222440089e-01 -6.946815916e-03 3.76 -7.059741387e-01 -2.105186448e-01 -1.083826469e-02 3.78 -6.789745940e-01 -2.003980876e-01 -1.435889421e-02 3.80 -6.537079527e-01 -1.917975946e-01 -1.751190977e-02 3.82 -6.300540625e-01 -1.846282515e-01 -2.031554439e-02 3.84 -6.078959459e-01 -1.787986843e-01 -2.277174655e-02 3.86 -5.871589508e-01 -1.742215119e-01 -2.488456996e-02 3.88 -5.677833112e-01 -1.708092825e-01 -2.666921367e-02 3.90 -5.497069610e-01 -1.684722663e-01 -2.814535550e-02 3.92 -5.328659554e-01 -1.671189260e-01 -2.933471872e-02 3.94 -5.171945977e-01 -1.666560911e-01 -3.025968248e-02 3.96 -5.026254557e-01 -1.669895584e-01 -3.094251068e-02 3.98 -4.890897351e-01 -1.680240797e-01 -3.140525276e-02 4.00 -4.765175239e-01 -1.696639873e-01 -3.166988745e-02 4.02 -4.648385555e-01 -1.718131341e-01 -3.175856905e-02 4.04 -4.539811395e-01 -1.743752598e-01 -3.169352798e-02 4.06 -4.438727696e-01 -1.772540802e-01 -3.149716370e-02 4.08 -4.344399796e-01 -1.803535909e-01 -3.119215991e-02 4.10 -4.256082681e-01 -1.835779299e-01 -3.080148468e-02 4.12 -4.173027185e-01 -1.868317400e-01 -3.034821675e-02 4.14 -4.094530907e-01 -1.900354555e-01 -2.985139497e-02 4.16 -4.020099003e-01 -1.931667670e-01 -2.931496224e-02 4.18 -3.949277259e-01 -1.962166887e-01 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