# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1990--Vashishta-P-Kalia-R-K-Rino-J-P-Ebbsjo-I--Si-O # implementation = 1990--Vashishta-P--Si-O--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 O O O Si Si Si 0.02 5.811311124e+14 3.200371091e+17 4.005029297e+18 0.04 4.540079329e+12 6.250724621e+14 1.955580711e+15 0.06 2.657190527e+11 1.625956628e+13 2.260850761e+13 0.08 3.546890644e+10 1.220843625e+12 9.548733947e+11 0.10 7.438263848e+09 1.638585673e+11 8.202300036e+10 0.12 2.075839513e+09 3.175676419e+10 1.103931065e+10 0.14 7.055920122e+08 7.930706221e+09 2.025476982e+09 0.16 2.770724775e+08 2.384397062e+09 4.662469976e+08 0.18 1.214799268e+08 8.260311594e+08 1.276258847e+08 0.20 5.809995578e+07 3.200105940e+08 4.005046999e+07 0.22 2.981227761e+07 1.357089271e+08 1.403754363e+07 0.24 1.621202827e+07 6.201263283e+07 5.390434571e+06 0.26 9.256744114e+06 3.017017436e+07 2.234883866e+06 0.28 5.509525984e+06 1.548306053e+07 9.891266919e+05 0.30 3.398702517e+06 8.319738246e+06 4.631378507e+05 0.32 2.162947261e+06 4.653174259e+06 2.277675004e+05 0.34 1.414715903e+06 2.695617537e+06 1.169616257e+05 0.36 9.480293208e+05 1.610945630e+06 6.241238763e+04 0.38 6.491771277e+05 9.897939308e+05 3.447058421e+04 0.40 4.532406362e+05 6.234512458e+05 1.964073968e+04 0.42 3.220292037e+05 4.015940132e+05 1.151442687e+04 0.44 2.324631236e+05 2.639848396e+05 6.930760424e+03 0.46 1.702516919e+05 1.767576230e+05 4.276322310e+03 0.48 1.263490510e+05 1.203606951e+05 2.701579120e+03 0.50 9.491306354e+04 8.323031176e+04 1.746368919e+03 0.52 7.210063661e+04 5.837423135e+04 1.154895841e+03 0.54 5.534061272e+04 4.147771761e+04 7.815421652e+02 0.56 4.288579099e+04 2.982795353e+04 5.415720460e+02 0.58 3.353164677e+04 2.168953056e+04 3.846656145e+02 0.60 2.643660122e+04 1.593433960e+04 2.803721212e+02 0.62 2.100530048e+04 1.181802761e+04 2.099382445e+02 0.64 1.681166291e+04 8.842576560e+03 1.616237785e+02 0.66 1.354742689e+04 6.670425688e+03 1.279652860e+02 0.68 1.098729412e+04 5.069974361e+03 1.041492461e+02 0.70 8.965023554e+03 3.880498436e+03 8.702874507e+01 0.72 7.356845360e+03 2.989257994e+03 7.451986826e+01 0.74 6.069828077e+03 2.316369624e+03 6.522573868e+01 0.76 5.033635864e+03 1.804689754e+03 5.819911231e+01 0.78 4.194631333e+03 1.412972582e+03 5.279051224e+01 0.80 3.511617854e+03 1.111193225e+03 4.854988391e+01 0.82 2.952738884e+03 8.773185812e+02 4.516216561e+01 0.84 2.493201362e+03 6.950564149e+02 4.240461057e+01 0.86 2.113591115e+03 5.522720730e+02 4.011821940e+01 0.88 1.798617087e+03 4.398652055e+02 3.818842581e+01 0.90 1.536168632e+03 3.509662991e+02 3.653191337e+01 0.92 1.316603062e+03 2.803574819e+02 3.508753473e+01 0.94 1.132203762e+03 2.240518880e+02 3.381000192e+01 0.96 9.767655125e+02 1.789860063e+02 3.266546514e+01 0.98 8.452752929e+02 1.427931376e+02 3.162838979e+01 1.00 7.336652180e+02 1.136354969e+02 3.067933338e+01 1.02 6.386202671e+02 9.007900528e+01 2.980335096e+01 1.04 5.574278928e+02 7.099936494e+01 2.898884318e+01 1.06 4.878598030e+02 5.551119812e+01 2.822671810e+01 1.08 4.280785942e+02 4.291429617e+01 2.750977710e+01 1.10 3.765636752e+02 3.265263321e+01 2.683226198e+01 1.12 3.320522386e+02 2.428295614e+01 2.618951871e+01 1.14 2.934920245e+02 1.745059717e+01 2.557774610e+01 1.16 2.600033677e+02 1.187076177e+01 2.499380684e+01 1.18 2.308485829e+02 7.313987788e+00 2.443508441e+01 1.20 2.054071782e+02 3.594797523e+00 2.389937415e+01 1.22 1.831557114e+02 5.628049007e-01 2.338479972e+01 1.24 1.636513643e+02 -1.904281059e+00 2.288974866e+01 1.26 1.465185017e+02 -3.906181988e+00 2.241282239e+01 1.28 1.314376366e+02 -5.524430432e+00 2.195279713e+01 1.30 1.181363427e+02 -6.825854433e+00 2.150859315e+01 1.32 1.063817469e+02 -7.865359112e+00 2.107925045e+01 1.34 9.597430918e+01 -8.688154421e+00 2.066390940e+01 1.36 8.674265311e+01 -9.331545017e+00 2.026179516e+01 1.38 7.853925883e+01 -9.826372764e+00 1.987220514e+01 1.40 7.123686392e+01 -1.019818272e+01 1.949449878e+01 1.42 6.472544814e+01 -1.046816831e+01 1.912808920e+01 1.44 5.890970100e+01 -1.065393964e+01 1.877243630e+01 1.46 5.370688931e+01 -1.077014964e+01 1.842704103e+01 1.48 4.904505736e+01 -1.082900573e+01 1.809144061e+01 1.50 4.486150424e+01 -1.084068894e+01 1.776520451e+01 1.52 4.110149263e+01 -1.081369802e+01 1.744793101e+01 1.54 3.771715151e+01 -1.075513264e+01 1.713924431e+01 1.56 3.466654162e+01 -1.067092692e+01 1.683879199e+01 1.58 3.191285782e+01 -1.056604255e+01 1.654624291e+01 1.60 2.942374697e+01 -1.044462858e+01 1.626128525e+01 1.62 2.717072339e+01 -1.031015416e+01 1.598362494e+01 1.64 2.512866698e+01 -1.016551880e+01 1.571298414e+01 1.66 2.327539146e+01 -1.001314424e+01 1.544910000e+01 1.68 2.159127231e+01 -9.855051071e+00 1.519172351e+01 1.70 2.005892553e+01 -9.692922788e+00 1.494061848e+01 1.72 1.866292980e+01 -9.528159372e+00 1.469556065e+01 1.74 1.738958576e+01 -9.361922213e+00 1.445633681e+01 1.76 1.622670712e+01 -9.195171815e+00 1.422274410e+01 1.78 1.516343906e+01 -9.028699476e+00 1.399458933e+01 1.80 1.419010018e+01 -8.863153952e+00 1.377168836e+01 1.82 1.329804455e+01 -8.699063910e+00 1.355386551e+01 1.84 1.247954142e+01 -8.536856876e+00 1.334095309e+01 1.86 1.172766982e+01 -8.376875212e+00 1.313279089e+01 1.88 1.103622638e+01 -8.219389628e+00 1.292922575e+01 1.90 1.039964439e+01 -8.064610599e+00 1.273011116e+01 1.92 9.812922738e+00 -7.912698026e+00 1.253530689e+01 1.94 9.271563407e+00 -7.763769414e+00 1.234467864e+01 1.96 8.771516393e+00 -7.617906800e+00 1.215809771e+01 1.98 8.309131158e+00 -7.475162620e+00 1.197544072e+01 2.00 7.881113744e+00 -7.335564685e+00 1.179658929e+01 2.02 7.484488859e+00 -7.199120393e+00 1.162142984e+01 2.04 7.116566312e+00 -7.065820300e+00 1.144985329e+01 2.06 6.774911262e+00 -6.935641148e+00 1.128175485e+01 2.08 6.457317821e+00 -6.808548426e+00 1.111703383e+01 2.10 6.161785598e+00 -6.684498538e+00 1.095559341e+01 2.12 5.886498841e+00 -6.563440641e+00 1.079734046e+01 2.14 5.629807860e+00 -6.445318188e+00 1.064218536e+01 2.16 5.390212474e+00 -6.330070242e+00 1.049004185e+01 2.18 5.166347232e+00 -6.217632569e+00 1.034082684e+01 2.20 4.956968219e+00 -6.107938569e+00 1.019446031e+01 2.22 4.760941254e+00 -6.000920050e+00 1.005086512e+01 2.24 4.577231323e+00 -5.896507872e+00 9.909966912e+00 2.26 4.404893118e+00 -5.794632491e+00 9.771693965e+00 2.28 4.243062542e+00 -5.695224405e+00 9.635977096e+00 2.30 4.090949095e+00 -5.598214520e+00 9.502749536e+00 2.32 3.947829020e+00 -5.503534454e+00 9.371946828e+00 2.34 3.813039144e+00 -5.411116782e+00 9.243506726e+00 2.36 3.685971334e+00 -5.320895229e+00 9.117369102e+00 2.38 3.566067501e+00 -5.232804832e+00 8.993475856e+00 2.40 3.452815092e+00 -5.146782053e+00 8.871770831e+00 2.42 3.345743021e+00 -5.062764877e+00 8.752199729e+00 2.44 3.244418000e+00 -4.980692879e+00 8.634710039e+00 2.46 3.148441209e+00 -4.900507264e+00 8.519250960e+00 2.48 3.057445297e+00 -4.822150905e+00 8.405773333e+00 2.50 2.971091654e+00 -4.745568350e+00 8.294229578e+00 2.52 2.889067944e+00 -4.670705827e+00 8.184573625e+00 2.54 2.811085868e+00 -4.597511238e+00 8.076760858e+00 2.56 2.736879131e+00 -4.525934140e+00 7.970748059e+00 2.58 2.666201596e+00 -4.455925726e+00 7.866493349e+00 2.60 2.598825606e+00 -4.387438793e+00 7.763956143e+00 2.62 2.534540454e+00 -4.320427714e+00 7.663097094e+00 2.64 2.473150999e+00 -4.254848396e+00 7.563878050e+00 2.66 2.414476393e+00 -4.190658251e+00 7.466262006e+00 2.68 2.358348928e+00 -4.127816148e+00 7.370213064e+00 2.70 2.304612984e+00 -4.066282375e+00 7.275696391e+00 2.72 2.253124064e+00 -4.006018597e+00 7.182678179e+00 2.74 2.203747917e+00 -3.946987810e+00 7.091125607e+00 2.76 2.156359732e+00 -3.889154303e+00 7.001006806e+00 2.78 2.110843405e+00 -3.832483612e+00 6.912290826e+00 2.80 2.067090865e+00 -3.776942480e+00 6.824947600e+00 2.82 2.025001457e+00 -3.722498811e+00 6.738947917e+00 2.84 1.984481376e+00 -3.669121634e+00 6.654263387e+00 2.86 1.945443149e+00 -3.616781061e+00 6.570866416e+00 2.88 1.907805161e+00 -3.565448244e+00 6.488730175e+00 2.90 1.871491216e+00 -3.515095343e+00 6.407828577e+00 2.92 1.836430137e+00 -3.465695485e+00 6.328136251e+00 2.94 1.802555395e+00 -3.417222728e+00 6.249628513e+00 2.96 1.769804771e+00 -3.369652027e+00 6.172281350e+00 2.98 1.738120042e+00 -3.322959200e+00 6.096071392e+00 3.00 1.707446695e+00 -3.277120892e+00 6.020975893e+00 3.02 1.677733660e+00 -3.232114550e+00 5.946972709e+00 3.04 1.648933068e+00 -3.187918387e+00 5.874040280e+00 3.06 1.621000020e+00 -3.144511352e+00 5.802157610e+00 3.08 1.593892387e+00 -3.101873109e+00 5.731304246e+00 3.10 1.567570608e+00 -3.059983998e+00 5.661460266e+00 3.12 1.541997519e+00 -3.018825021e+00 5.592606256e+00 3.14 1.517138189e+00 -2.978377808e+00 5.524723301e+00 3.16 1.492959763e+00 -2.938624597e+00 5.457792960e+00 3.18 1.469431325e+00 -2.899548209e+00 5.391797258e+00 3.20 1.446523767e+00 -2.861132027e+00 5.326718672e+00 3.22 1.424209668e+00 -2.823359971e+00 5.262540110e+00 3.24 1.402463183e+00 -2.786216485e+00 5.199244905e+00 3.26 1.381259939e+00 -2.749686509e+00 5.136816798e+00 3.28 1.360576938e+00 -2.713755463e+00 5.075239927e+00 3.30 1.340392468e+00 -2.678409231e+00 5.014498814e+00 3.32 1.320686020e+00 -2.643634142e+00 4.954578356e+00 3.34 1.301438213e+00 -2.609416952e+00 4.895463808e+00 3.36 1.282630719e+00 -2.575744829e+00 4.837140780e+00 3.38 1.264246200e+00 -2.542605338e+00 4.779595221e+00 3.40 1.246268241e+00 -2.509986425e+00 4.722813410e+00 3.42 1.228681298e+00 -2.477876406e+00 4.666781947e+00 3.44 1.211470641e+00 -2.446263950e+00 4.611487745e+00 3.46 1.194622306e+00 -2.415138065e+00 4.556918019e+00 3.48 1.178123044e+00 -2.384488092e+00 4.503060277e+00 3.50 1.161960283e+00 -2.354303685e+00 4.449902314e+00 3.52 1.146122086e+00 -2.324574804e+00 4.397432202e+00 3.54 1.130597108e+00 -2.295291706e+00 4.345638281e+00 3.56 1.115374570e+00 -2.266444929e+00 4.294509156e+00 3.58 1.100444218e+00 -2.238025284e+00 4.244033684e+00 3.60 1.085796294e+00 -2.210023849e+00 4.194200971e+00 3.62 1.071421510e+00 -2.182431954e+00 4.145000363e+00 3.64 1.057311020e+00 -2.155241174e+00 4.096421441e+00 3.66 1.043456391e+00 -2.128443324e+00 4.048454013e+00 3.68 1.029849585e+00 -2.102030445e+00 4.001088109e+00 3.70 1.016482932e+00 -2.075994801e+00 3.954313974e+00 3.72 1.003349114e+00 -2.050328867e+00 3.908122064e+00 3.74 9.904411410e-01 -2.025025326e+00 3.862503038e+00 3.76 9.777523353e-01 -2.000077059e+00 3.817447754e+00 3.78 9.652763144e-01 -1.975477139e+00 3.772947264e+00 3.80 9.530069744e-01 -1.951218825e+00 3.728992808e+00 3.82 9.409384750e-01 -1.927295556e+00 3.685575809e+00 3.84 9.290652258e-01 -1.903700945e+00 3.642687869e+00 3.86 9.173818723e-01 -1.880428771e+00 3.600320766e+00 3.88 9.058832844e-01 -1.857472976e+00 3.558466443e+00 3.90 8.945645437e-01 -1.834827660e+00 3.517117014e+00 3.92 8.834209332e-01 -1.812487075e+00 3.476264749e+00 3.94 8.724479267e-01 -1.790445618e+00 3.435902077e+00 3.96 8.616411790e-01 -1.768697830e+00 3.396021581e+00 3.98 8.509965166e-01 -1.747238389e+00 3.356615990e+00 4.00 8.405099294e-01 -1.726062108e+00 3.317678183e+00 4.02 8.301775621e-01 -1.705163925e+00 3.279201176e+00 4.04 8.199957071e-01 -1.684538908e+00 3.241178127e+00 4.06 8.099607965e-01 -1.664182244e+00 3.203602326e+00 4.08 8.000693960e-01 -1.644089236e+00 3.166467196e+00 4.10 7.903181981e-01 -1.624255303e+00 3.129766289e+00 4.12 7.807040158e-01 -1.604675973e+00 3.093493280e+00 4.14 7.712237773e-01 -1.585346883e+00 3.057641968e+00 4.16 7.618745203e-01 -1.566263770e+00 3.022206272e+00 4.18 7.526533870e-01 -1.547422475e+00 2.987180225e+00 4.20 7.435576192e-01 -1.528818934e+00 2.952557975e+00 4.22 7.345845535e-01 -1.510449181e+00 2.918333781e+00 4.24 7.257316175e-01 -1.492309338e+00 2.884502010e+00 4.26 7.169963249e-01 -1.474395619e+00 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