# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1994--Nakano-A-Kalia-R-K-Vashishta-P--Si-O # implementation = 1994--Nakano-A--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 5.704451467e+14 3.141582028e+17 3.935693359e+18 0.04 4.456593723e+12 6.135902199e+14 1.921725273e+15 0.06 2.608326048e+11 1.596088624e+13 2.221710421e+13 0.08 3.481658653e+10 1.198417173e+12 9.383424191e+11 0.10 7.301443147e+09 1.608484859e+11 8.060300043e+10 0.12 2.037647620e+09 3.117336776e+10 1.084819577e+10 0.14 6.926064128e+08 7.785001334e+09 1.990411534e+09 0.16 2.719713079e+08 2.340584323e+09 4.581752705e+08 0.18 1.192422944e+08 8.108497051e+08 1.254164341e+08 0.20 5.702915238e+07 3.141272397e+08 3.935713937e+07 0.22 2.926245556e+07 1.332127428e+08 1.379455067e+07 0.24 1.591280071e+07 6.087123377e+07 5.297139101e+06 0.26 9.085740940e+06 2.961436535e+07 2.196215324e+06 0.28 5.407646691e+06 1.519748683e+07 9.720227003e+05 0.30 3.335787575e+06 8.166053148e+06 4.551379307e+05 0.32 2.122860840e+06 4.567054131e+06 2.238406509e+05 0.34 1.388463379e+06 2.645608741e+06 1.149515647e+05 0.36 9.304131552e+05 1.580972691e+06 6.134535914e+04 0.38 6.370969042e+05 9.713135950e+05 3.388609859e+04 0.40 4.447938064e+05 6.117624546e+05 1.931192228e+04 0.42 3.160182894e+05 3.940279377e+05 1.132532964e+04 0.44 2.281169923e+05 2.589830973e+05 6.820142927e+03 0.46 1.670633681e+05 1.733866995e+05 4.210864117e+03 0.48 1.239788827e+05 1.180482120e+05 2.662657254e+03 0.50 9.312954112e+04 8.161775144e+04 1.723318550e+03 0.52 7.074344494e+04 5.723258064e+04 1.141473523e+03 0.54 5.429710760e+04 4.065801276e+04 7.740194508e+02 0.56 4.207575092e+04 2.923165861e+04 5.376823383e+02 0.58 3.289722322e+04 2.125044048e+04 3.830090551e+02 0.60 2.593559242e+04 1.560731919e+04 2.800721997e+02 0.62 2.060658487e+04 1.157188379e+04 2.104397836e+02 0.64 1.649205719e+04 8.655474327e+03 1.625719372e+02 0.66 1.328949728e+04 6.526895714e+03 1.291318725e+02 0.68 1.077781383e+04 4.958932256e+03 1.053871429e+02 0.70 8.793873668e+03 3.793916278e+03 8.824331456e+01 0.72 7.216223719e+03 2.921262276e+03 7.565077205e+01 0.74 5.953674213e+03 2.262621565e+03 6.623523568e+01 0.76 4.937209244e+03 1.761954862e+03 5.906444152e+01 0.78 4.114199338e+03 1.378818541e+03 5.349888332e+01 0.80 3.444223054e+03 1.083775729e+03 4.909515204e+01 0.82 2.896024126e+03 8.552280824e+02 4.554260628e+01 0.84 2.445277336e+03 6.772074664e+02 4.262141995e+01 0.86 2.072935380e+03 5.378227456e+02 4.017449774e+01 0.88 1.763996583e+03 4.281579201e+02 3.808848537e+01 0.90 1.506579827e+03 3.414840442e+02 3.628080601e+01 0.92 1.291225453e+03 2.726911713e+02 3.469072924e+01 0.94 1.110363534e+03 2.178758500e+02 3.327316408e+01 0.96 9.579069861e+02 1.740394507e+02 3.199430862e+01 0.98 8.289383727e+02 1.388660503e+02 3.082857619e+01 1.00 7.194674874e+02 1.105578353e+02 2.975640625e+01 1.02 6.262427076e+02 8.771237186e+01 2.876269366e+01 1.04 5.466034391e+02 6.923055203e+01 2.783565316e+01 1.06 4.783641316e+02 5.424715536e+01 2.696599269e+01 1.08 4.197226766e+02 4.207818527e+01 2.614630727e+01 1.10 3.691877343e+02 3.218071878e+01 2.537063146e+01 1.12 3.255208239e+02 2.412214283e+01 2.463410680e+01 1.14 2.876899842e+02 1.755646915e+01 2.393273295e+01 1.16 2.548325411e+02 1.220601461e+01 2.326318021e+01 1.18 2.262250771e+02 7.847168411e+00 2.262264741e+01 1.20 2.012591155e+02 4.299287132e+00 2.200875345e+01 1.22 1.794213626e+02 1.415994550e+00 2.141945395e+01 1.24 1.602775948e+02 -9.216615911e-01 2.085297678e+01 1.26 1.434594749e+02 -2.810612732e+00 2.030777193e+01 1.28 1.286537295e+02 -4.330051309e+00 1.978247213e+01 1.30 1.155932348e+02 -5.544835976e+00 1.927586182e+01 1.32 1.040496544e+02 -6.508208931e+00 1.878685248e+01 1.34 9.382733781e+01 -7.263971456e+00 1.831446288e+01 1.36 8.475825136e+01 -7.848231205e+00 1.785780316e+01 1.38 7.669775392e+01 -8.290809844e+00 1.741606192e+01 1.40 6.952106730e+01 -8.616380388e+00 1.698849563e+01 1.42 6.312031941e+01 -8.845388769e+00 1.657441996e+01 1.44 5.740206081e+01 -8.994802596e+00 1.617320252e+01 1.46 5.228517363e+01 -9.078721125e+00 1.578425686e+01 1.48 4.769910676e+01 -9.108873418e+00 1.540703734e+01 1.50 4.358238270e+01 -9.095026187e+00 1.504103489e+01 1.52 3.988133155e+01 -9.045318476e+00 1.468577329e+01 1.54 3.654901506e+01 -8.966536935e+00 1.434080600e+01 1.56 3.354431036e+01 -8.864342707e+00 1.400571348e+01 1.58 3.083112791e+01 -8.743458843e+00 1.368010077e+01 1.60 2.837774273e+01 -8.607825406e+00 1.336359539e+01 1.62 2.615622125e+01 -8.460728089e+00 1.305584559e+01 1.64 2.414192935e+01 -8.304905058e+00 1.275651861e+01 1.66 2.231310902e+01 -8.142635873e+00 1.246529935e+01 1.68 2.065051364e+01 -7.975815601e+00 1.218188898e+01 1.70 1.913709301e+01 -7.806016701e+00 1.190600385e+01 1.72 1.775772104e+01 -7.634540764e+00 1.163737442e+01 1.74 1.649895974e+01 -7.462461838e+00 1.137574429e+01 1.76 1.534885444e+01 -7.290662753e+00 1.112086937e+01 1.78 1.429675580e+01 -7.119865620e+00 1.087251707e+01 1.80 1.333316482e+01 -6.950657455e+00 1.063046563e+01 1.82 1.244959772e+01 -6.783511752e+00 1.039450338e+01 1.84 1.163846791e+01 -6.618806637e+00 1.016442822e+01 1.86 1.089298277e+01 -6.456840185e+00 9.940046995e+00 1.88 1.020705321e+01 -6.297843328e+00 9.721175025e+00 1.90 9.575214415e+00 -6.141990762e+00 9.507635602e+00 1.92 8.992556123e+00 -5.989410158e+00 9.299259556e+00 1.94 8.454661385e+00 -5.840189937e+00 9.095884845e+00 1.96 7.957552576e+00 -5.694385858e+00 8.897356166e+00 1.98 7.497643802e+00 -5.552026573e+00 8.703524605e+00 2.00 7.071698865e+00 -5.413118332e+00 8.514247299e+00 2.02 6.676794095e+00 -5.277648962e+00 8.329387125e+00 2.04 6.310285454e+00 -5.145591228e+00 8.148812413e+00 2.06 5.969779371e+00 -5.016905668e+00 7.972396665e+00 2.08 5.653106861e+00 -4.891542997e+00 7.800018307e+00 2.10 5.358300541e+00 -4.769446124e+00 7.631560442e+00 2.12 5.083574173e+00 -4.650551863e+00 7.466910628e+00 2.14 4.827304462e+00 -4.534792357e+00 7.305960663e+00 2.16 4.588014823e+00 -4.422096293e+00 7.148606387e+00 2.18 4.364360892e+00 -4.312389903e+00 6.994747490e+00 2.20 4.155117593e+00 -4.205597809e+00 6.844287337e+00 2.22 3.959167566e+00 -4.101643730e+00 6.697132797e+00 2.24 3.775490805e+00 -4.000451055e+00 6.553194089e+00 2.26 3.603155384e+00 -3.901943335e+00 6.412384626e+00 2.28 3.441309128e+00 -3.806044668e+00 6.274620878e+00 2.30 3.289172138e+00 -3.712680025e+00 6.139822235e+00 2.32 3.146030082e+00 -3.621775512e+00 6.007910881e+00 2.34 3.011228147e+00 -3.533258569e+00 5.878811673e+00 2.36 2.884165604e+00 -3.447058139e+00 5.752452028e+00 2.38 2.764290905e+00 -3.363104792e+00 5.628761813e+00 2.40 2.651097265e+00 -3.281330814e+00 5.507673243e+00 2.42 2.544118669e+00 -3.201670280e+00 5.389120782e+00 2.44 2.442926271e+00 -3.124059093e+00 5.273041054e+00 2.46 2.347125128e+00 -3.048435013e+00 5.159372750e+00 2.48 2.256351258e+00 -2.974737667e+00 5.048056547e+00 2.50 2.170268959e+00 -2.902908545e+00 4.939035028e+00 2.52 2.088568396e+00 -2.832890991e+00 4.832252606e+00 2.54 2.010963395e+00 -2.764630175e+00 4.727655449e+00 2.56 1.937189456e+00 -2.698073073e+00 4.625191417e+00 2.58 1.867001934e+00 -2.633168426e+00 4.524809989e+00 2.60 1.800174398e+00 -2.569866706e+00 4.426462206e+00 2.62 1.736497124e+00 -2.508120071e+00 4.330100610e+00 2.64 1.675775733e+00 -2.447882325e+00 4.235679184e+00 2.66 1.617829950e+00 -2.389108868e+00 4.143153303e+00 2.68 1.562492461e+00 -2.331756652e+00 4.052479677e+00 2.70 1.509607885e+00 -2.275784129e+00 3.963616303e+00 2.72 1.459031827e+00 -2.221151208e+00 3.876522420e+00 2.74 1.410630009e+00 -2.167819203e+00 3.791158459e+00 2.76 1.364277485e+00 -2.115750786e+00 3.707486003e+00 2.78 1.319857917e+00 -2.064909942e+00 3.625467747e+00 2.80 1.277262910e+00 -2.015261920e+00 3.545067452e+00 2.82 1.236391410e+00 -1.966773186e+00 3.466249914e+00 2.84 1.197149144e+00 -1.919411384e+00 3.388980925e+00 2.86 1.159448110e+00 -1.873145286e+00 3.313227234e+00 2.88 1.123206112e+00 -1.827944755e+00 3.238956521e+00 2.90 1.088346326e+00 -1.783780702e+00 3.166137359e+00 2.92 1.054796907e+00 -1.740625044e+00 3.094739188e+00 2.94 1.022490624e+00 -1.698450669e+00 3.024732281e+00 2.96 9.913645262e-01 -1.657231398e+00 2.956087718e+00 2.98 9.613596342e-01 -1.616941947e+00 2.888777360e+00 3.00 9.324206572e-01 -1.577557896e+00 2.822773821e+00 3.02 9.044957305e-01 -1.539055651e+00 2.758050444e+00 3.04 8.775361747e-01 -1.501412417e+00 2.694581276e+00 3.06 8.514962725e-01 -1.464606164e+00 2.632341046e+00 3.08 8.263330637e-01 -1.428615596e+00 2.571305145e+00 3.10 8.020061548e-01 -1.393420127e+00 2.511449597e+00 3.12 7.784775435e-01 -1.358999850e+00 2.452751049e+00 3.14 7.557114567e-01 -1.325335512e+00 2.395186743e+00 3.16 7.336741997e-01 -1.292408488e+00 2.338734501e+00 3.18 7.123340174e-01 -1.260200757e+00 2.283372706e+00 3.20 6.916609653e-01 -1.228694881e+00 2.229080284e+00 3.22 6.716267904e-01 -1.197873978e+00 2.175836689e+00 3.24 6.522048200e-01 -1.167721705e+00 2.123621881e+00 3.26 6.333698593e-01 -1.138222237e+00 2.072416320e+00 3.28 6.150980959e-01 -1.109360244e+00 2.022200942e+00 3.30 5.973670114e-01 -1.081120876e+00 1.972957148e+00 3.32 5.801552989e-01 -1.053489742e+00 1.924666791e+00 3.34 5.634427869e-01 -1.026452897e+00 1.877312160e+00 3.36 5.472103678e-01 -9.999968201e-01 1.830875971e+00 3.38 5.314399319e-01 -9.741084016e-01 1.785341348e+00 3.40 5.161143058e-01 -9.487749279e-01 1.740691817e+00 3.42 5.012171950e-01 -9.239840661e-01 1.696911292e+00 3.44 4.867331307e-01 -8.997238502e-01 1.653984063e+00 3.46 4.726474195e-01 -8.759826680e-01 1.611894785e+00 3.48 4.589460972e-01 -8.527492477e-01 1.570628469e+00 3.50 4.456158857e-01 -8.300126461e-01 1.530170472e+00 3.52 4.326441519e-01 -8.077622367e-01 1.490506485e+00 3.54 4.200188707e-01 -7.859876981e-01 1.451622524e+00 3.56 4.077285889e-01 -7.646790034e-01 1.413504924e+00 3.58 3.957623927e-01 -7.438264098e-01 1.376140325e+00 3.60 3.841098767e-01 -7.234204484e-01 1.339515669e+00 3.62 3.727611151e-01 -7.034519149e-01 1.303618186e+00 3.64 3.617066345e-01 -6.839118599e-01 1.268435391e+00 3.66 3.509373887e-01 -6.647915808e-01 1.233955074e+00 3.68 3.404447350e-01 -6.460826128e-01 1.200165291e+00 3.70 3.302204121e-01 -6.277767208e-01 1.167054361e+00 3.72 3.202565190e-01 -6.098658919e-01 1.134610854e+00 3.74 3.105454958e-01 -5.923423276e-01 1.102823587e+00 3.76 3.010801050e-01 -5.751984367e-01 1.071681619e+00 3.78 2.918534148e-01 -5.584268284e-01 1.041174240e+00 3.80 2.828587824e-01 -5.420203055e-01 1.011290970e+00 3.82 2.740898391e-01 -5.259718584e-01 9.820215495e-01 3.84 2.655404761e-01 -5.102746584e-01 9.533559342e-01 3.86 2.572048310e-01 -4.949220524e-01 9.252842907e-01 3.88 2.490772750e-01 -4.799075568e-01 8.977969902e-01 3.90 2.411524015e-01 -4.652248520e-01 8.708846035e-01 3.92 2.334250143e-01 -4.508677775e-01 8.445378957e-01 3.94 2.258901177e-01 -4.368303266e-01 8.187478214e-01 3.96 2.185429060e-01 -4.231066417e-01 7.935055199e-01 3.98 2.113787548e-01 -4.096910093e-01 7.688023103e-01 4.00 2.043932115e-01 -3.965778558e-01 7.446296876e-01 4.02 1.975819875e-01 -3.837617433e-01 7.209793177e-01 4.04 1.909409501e-01 -3.712373648e-01 6.978430333e-01 4.06 1.844661153e-01 -3.589995409e-01 6.752128301e-01 4.08 1.781536404e-01 -3.470432155e-01 6.530808624e-01 4.10 1.719998181e-01 -3.353634521e-01 6.314394395e-01 4.12 1.660010693e-01 -3.239554303e-01 6.102810218e-01 4.14 1.601539382e-01 -3.128144424e-01 5.895982172e-01 4.16 1.544550860e-01 -3.019358899e-01 5.693837774e-01 4.18 1.489012859e-01 -2.913152802e-01 5.496305947e-01 4.20 1.434894181e-01 -2.809482237e-01 5.303316983e-01 4.22 1.382164650e-01 -2.708304309e-01 5.114802517e-01 4.24 1.330795068e-01 -2.609577091e-01 4.930695485e-01 4.26 1.280757171e-01 -2.513259598e-01 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