# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Munetoh-S-Motooka-T-Moriguchi-K-Shintani-A--Si-O # implementation = 2007--Munetoh-S--Si-O--LAMMPS--ipr1 # composition = Si # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan 4.816701662e+03 nan nan nan nan 0.56 nan nan nan nan nan 4.258544649e+03 nan nan 4.986153679e+03 nan 0.58 nan nan nan nan nan 3.790420777e+03 nan nan 4.411205112e+03 nan 0.60 nan nan nan nan nan 3.355739456e+03 nan nan 3.909358525e+03 nan 0.62 nan 4.878944980e+03 nan nan nan 2.962135969e+03 4.979454809e+03 nan 3.483411919e+03 4.889224680e+03 0.64 nan 4.375014676e+03 nan nan nan 2.630124335e+03 4.456436501e+03 nan 3.122496292e+03 4.364432096e+03 0.66 nan 3.924618016e+03 nan nan nan 2.357967212e+03 3.984582412e+03 nan 2.799469630e+03 3.918873172e+03 0.68 nan 3.531883877e+03 4.796695503e+03 nan nan 2.125023962e+03 3.579743791e+03 4.950526795e+03 2.510976475e+03 3.546435061e+03 0.70 4.798387205e+03 3.187253936e+03 4.345198219e+03 4.782823220e+03 4.775739005e+03 1.917794224e+03 3.236984580e+03 4.482753262e+03 2.256359031e+03 3.205571775e+03 0.72 4.350868552e+03 2.878685598e+03 3.939031156e+03 4.341361001e+03 4.336118450e+03 1.725141694e+03 2.934556548e+03 4.055141913e+03 2.032229195e+03 2.886822717e+03 0.74 3.941498761e+03 2.601964756e+03 3.581761202e+03 3.947273352e+03 3.946925156e+03 1.554334919e+03 2.657602261e+03 3.671400536e+03 1.830866406e+03 2.605147228e+03 0.76 3.572750644e+03 2.356575446e+03 3.244999456e+03 3.588172466e+03 3.591795495e+03 1.401148880e+03 2.404301318e+03 3.332603742e+03 1.649283987e+03 2.368618645e+03 0.78 3.256056142e+03 2.137455414e+03 2.935678245e+03 3.266193996e+03 3.271369889e+03 1.264667563e+03 2.180728676e+03 3.036666868e+03 1.487430880e+03 2.157319983e+03 0.80 2.978438841e+03 1.939547457e+03 2.663155786e+03 2.979103362e+03 2.984744678e+03 1.139907311e+03 1.987331506e+03 2.774408366e+03 1.343962240e+03 1.964750993e+03 0.82 2.726970991e+03 1.768419441e+03 2.439757160e+03 2.722334770e+03 2.726631257e+03 1.033554828e+03 1.818120019e+03 2.537351347e+03 1.215652410e+03 1.785847740e+03 0.84 2.500111712e+03 1.617524552e+03 2.247802600e+03 2.491835940e+03 2.491140585e+03 9.434612707e+02 1.659325025e+03 2.323322871e+03 1.102942609e+03 1.624854209e+03 0.86 2.290123280e+03 1.476276986e+03 2.067021398e+03 2.282906788e+03 2.277188139e+03 8.609357441e+02 1.510699484e+03 2.125314942e+03 1.003840395e+03 1.476827609e+03 0.88 2.096583583e+03 1.345811158e+03 1.896514620e+03 2.095318713e+03 2.087660046e+03 7.840219342e+02 1.374234621e+03 1.947187634e+03 9.174492592e+02 1.341116257e+03 0.90 1.924390272e+03 1.229920927e+03 1.737606052e+03 1.926582775e+03 1.920930257e+03 7.110122316e+02 1.248231035e+03 1.790885630e+03 8.390440295e+02 1.221219774e+03 0.92 1.771853609e+03 1.128100444e+03 1.591021975e+03 1.774918113e+03 1.772964734e+03 6.403044228e+02 1.134861302e+03 1.652312889e+03 7.679172152e+02 1.113708488e+03 0.94 1.641112199e+03 1.032856237e+03 1.462237948e+03 1.640154833e+03 1.640325608e+03 5.765665494e+02 1.034356906e+03 1.525313906e+03 7.043516900e+02 1.022480717e+03 0.96 1.519193969e+03 9.392682787e+02 1.347415997e+03 1.515735528e+03 1.517823049e+03 5.200674120e+02 9.480219938e+02 1.400579184e+03 6.443710185e+02 9.416847376e+02 0.98 1.395867527e+03 8.516749525e+02 1.245316573e+03 1.395898568e+03 1.400412005e+03 4.732562026e+02 8.743768111e+02 1.279742105e+03 5.869874365e+02 8.700242699e+02 1.00 1.276755390e+03 7.748022724e+02 1.150609468e+03 1.280973856e+03 1.286526576e+03 4.367482660e+02 8.081014989e+02 1.169212089e+03 5.321757533e+02 8.070998042e+02 1.02 1.166863380e+03 7.097472461e+02 1.055163854e+03 1.173766314e+03 1.179294142e+03 4.014809579e+02 7.451986560e+02 1.072596154e+03 4.825930705e+02 7.494847727e+02 1.04 1.070674198e+03 6.565538074e+02 9.615144162e+02 1.078009594e+03 1.082494937e+03 3.666124222e+02 6.865474629e+02 9.899278082e+02 4.399115582e+02 6.933429635e+02 1.06 9.913379690e+02 6.099889719e+02 8.749568246e+02 9.954364530e+02 9.978465338e+02 3.335392290e+02 6.326222080e+02 9.186180909e+02 4.020649754e+02 6.366105044e+02 1.08 9.222779434e+02 5.665100413e+02 8.006990921e+02 9.218294047e+02 9.215221418e+02 3.036827985e+02 5.844049456e+02 8.526399327e+02 3.666144894e+02 5.816813711e+02 1.10 8.582524685e+02 5.247217549e+02 7.399212692e+02 8.546169371e+02 8.517576117e+02 2.776568994e+02 5.417863931e+02 7.908760887e+02 3.328444448e+02 5.309614658e+02 1.12 7.997526688e+02 4.830412365e+02 6.879587589e+02 7.938619878e+02 7.882849027e+02 2.551108387e+02 5.022361449e+02 7.341693687e+02 3.011676569e+02 4.865603077e+02 1.14 7.436841609e+02 4.416368355e+02 6.400826363e+02 7.366961025e+02 7.297136304e+02 2.341117328e+02 4.645865705e+02 6.798348314e+02 2.728194218e+02 4.467684463e+02 1.16 6.883111907e+02 4.017196863e+02 5.954064588e+02 6.819504341e+02 6.755897344e+02 2.145241613e+02 4.281221081e+02 6.273614528e+02 2.477288650e+02 4.089231690e+02 1.18 6.343281431e+02 3.651024156e+02 5.543291631e+02 6.303411728e+02 6.263542121e+02 1.968419632e+02 3.922103971e+02 5.784698662e+02 2.252149174e+02 3.712763650e+02 1.20 5.836542974e+02 3.333859558e+02 5.170535239e+02 5.824336181e+02 5.812129203e+02 1.814153605e+02 3.577325625e+02 5.343167389e+02 2.051392173e+02 3.355551823e+02 1.22 5.381320565e+02 3.068208878e+02 4.834131398e+02 5.391207566e+02 5.401094451e+02 1.682307153e+02 3.243923695e+02 4.946712199e+02 1.872656946e+02 3.036633685e+02 1.24 4.992287089e+02 2.844720998e+02 4.522608786e+02 5.014205742e+02 5.036124490e+02 1.562426018e+02 2.924316204e+02 4.590460611e+02 1.714920105e+02 2.775238687e+02 1.26 4.668283168e+02 2.645592748e+02 4.230124956e+02 4.691480517e+02 4.714677997e+02 1.451293104e+02 2.628861523e+02 4.269759677e+02 1.579881435e+02 2.576963576e+02 1.28 4.355726475e+02 2.453846775e+02 3.946131380e+02 4.382600153e+02 4.409473967e+02 1.348244235e+02 2.373995981e+02 3.961235866e+02 1.463715080e+02 2.392274028e+02 1.30 4.048008386e+02 2.268315372e+02 3.672005794e+02 4.082374695e+02 4.116741172e+02 1.252667604e+02 2.159970201e+02 3.667297658e+02 1.356076803e+02 2.211712697e+02 1.32 3.751799745e+02 2.091888903e+02 3.402161256e+02 3.793004576e+02 3.834209620e+02 1.160039125e+02 1.975952763e+02 3.394543429e+02 1.252660672e+02 2.038589496e+02 1.34 3.473856037e+02 1.927157553e+02 3.119305408e+02 3.513620549e+02 3.553385300e+02 1.061367575e+02 1.821565585e+02 3.148515116e+02 1.152926051e+02 1.876406302e+02 1.36 3.220322471e+02 1.766181023e+02 2.834505635e+02 3.250817152e+02 3.281312066e+02 9.601962405e+01 1.681883700e+02 2.932544710e+02 1.057168028e+02 1.728457741e+02 1.38 2.995805210e+02 1.608457210e+02 2.560011357e+02 3.010805820e+02 3.025806611e+02 8.607272078e+01 1.549815843e+02 2.739853514e+02 9.668812979e+01 1.597248660e+02 1.40 2.802129102e+02 1.457476813e+02 2.307993985e+02 2.798023606e+02 2.793918187e+02 7.670194210e+01 1.427451144e+02 2.562368803e+02 8.831471586e+01 1.483763319e+02 1.42 2.629150092e+02 1.308614256e+02 2.084760089e+02 2.607939214e+02 2.586728294e+02 6.831897787e+01 1.316561812e+02 2.389634055e+02 8.047518626e+01 1.382467722e+02 1.44 2.466877465e+02 1.162936022e+02 1.896150727e+02 2.435252223e+02 2.403626853e+02 6.134267488e+01 1.218205785e+02 2.217368660e+02 7.327991939e+01 1.287869674e+02 1.46 2.304663758e+02 1.026049449e+02 1.752110773e+02 2.271541869e+02 2.238419848e+02 5.608883907e+01 1.131863030e+02 2.035271164e+02 6.676991902e+01 1.196287846e+02 1.48 2.127474156e+02 9.045627134e+01 1.639618949e+02 2.100098531e+02 2.072722867e+02 5.203068226e+01 1.052276477e+02 1.848426601e+02 6.078322582e+01 1.102643662e+02 1.50 1.941771802e+02 8.067644329e+01 1.534244365e+02 1.921845078e+02 1.901918420e+02 4.825759564e+01 9.779373274e+01 1.663665602e+02 5.533800105e+01 1.008964564e+02 1.52 1.754294726e+02 7.244594527e+01 1.435320205e+02 1.742860228e+02 1.731425862e+02 4.474155755e+01 9.085062538e+01 1.487760720e+02 5.043020686e+01 9.175675991e+01 1.54 1.571390017e+02 6.529924884e+01 1.341059183e+02 1.568930359e+02 1.566470833e+02 4.137716898e+01 8.425476900e+01 1.328302168e+02 4.607864764e+01 8.308194279e+01 1.56 1.399692969e+02 5.938768274e+01 1.241965696e+02 1.405344028e+02 1.410995160e+02 3.758340257e+01 7.775245187e+01 1.193613767e+02 4.197467384e+01 7.510909587e+01 1.58 1.247521058e+02 5.415313753e+01 1.138559328e+02 1.259289289e+02 1.271057523e+02 3.341542229e+01 7.140842736e+01 1.083497349e+02 3.791521432e+01 6.806235818e+01 1.60 1.125217379e+02 4.946037227e+01 1.033662371e+02 1.139452371e+02 1.153687320e+02 2.903983381e+01 6.530950111e+01 1.000479284e+02 3.390279702e+01 6.211522478e+01 1.62 1.040674813e+02 4.533585740e+01 9.301294099e+01 1.052391525e+02 1.064108183e+02 2.456676341e+01 5.954449458e+01 9.336178206e+01 3.004800161e+01 5.731912654e+01 1.64 9.726772030e+01 4.158237519e+01 8.309547612e+01 9.803209977e+01 9.879647494e+01 2.004223888e+01 5.419852112e+01 8.707847616e+01 2.645280211e+01 5.310699343e+01 1.66 9.086938102e+01 3.808400002e+01 7.395342806e+01 9.129000356e+01 9.171062331e+01 1.549040616e+01 4.934580753e+01 8.117476098e+01 2.320915085e+01 4.917230916e+01 1.68 8.484974190e+01 3.482477768e+01 6.597727696e+01 8.501955503e+01 8.518936685e+01 1.105345127e+01 4.503940543e+01 7.558731045e+01 2.037770200e+01 4.549747650e+01 1.70 7.918734945e+01 3.178971005e+01 5.954734138e+01 7.921710232e+01 7.924685493e+01 7.303958690e+00 4.129882013e+01 7.017908394e+01 1.778647371e+01 4.206600435e+01 1.72 7.386194725e+01 2.896469909e+01 5.482208486e+01 7.386190409e+01 7.386186092e+01 5.534321063e+00 3.797133639e+01 6.496276862e+01 1.543878545e+01 3.886243786e+01 1.74 6.885440911e+01 2.633649419e+01 5.076460283e+01 6.885437104e+01 6.885433297e+01 4.608517359e+00 3.448988562e+01 5.996770877e+01 1.318286968e+01 3.587229315e+01 1.76 6.414667594e+01 2.389264246e+01 4.695889347e+01 6.414664261e+01 6.414660929e+01 3.749917486e+00 3.088242732e+01 5.522592340e+01 1.093046961e+01 3.308199605e+01 1.78 5.963987381e+01 2.162144195e+01 4.339048486e+01 5.963984799e+01 5.963982218e+01 2.954506631e+00 2.725120780e+01 5.071577700e+01 8.734338841e+00 3.036887907e+01 1.80 5.503240513e+01 1.951189755e+01 4.004570480e+01 5.503239976e+01 5.503239439e+01 2.218490226e+00 2.369215071e+01 4.627494709e+01 6.649460100e+00 2.734923236e+01 1.82 5.036320680e+01 1.755367944e+01 3.691163752e+01 5.036322995e+01 5.036325310e+01 1.538282413e+00 2.029430903e+01 4.195449394e+01 4.748214393e+00 2.410798299e+01 1.84 4.571081973e+01 1.573708396e+01 3.397608278e+01 4.571087184e+01 4.571092394e+01 9.104950865e-01 1.714528187e+01 3.782807789e+01 3.133894410e+00 2.077013018e+01 1.86 4.115649307e+01 1.405299671e+01 3.122751710e+01 4.115656741e+01 4.115664176e+01 3.319274979e-01 1.433884483e+01 3.396649165e+01 1.931106472e+00 1.743902843e+01 1.88 3.678481866e+01 1.249285785e+01 2.865505712e+01 3.678490374e+01 3.678498883e+01 -2.004436043e-01 1.197520755e+01 3.040118650e+01 1.207971921e+00 1.419061681e+01 1.90 3.268523809e+01 1.104862934e+01 2.624842484e+01 3.268532127e+01 3.268540445e+01 -6.894733352e-01 1.014148443e+01 2.708354338e+01 6.502561220e-01 1.108220350e+01 1.92 2.895118159e+01 9.712764123e+00 2.399791482e+01 2.895125302e+01 2.895132445e+01 -1.137857553e+00 8.849613287e+00 2.406215141e+01 1.394581669e-01 8.182510853e+00 1.94 2.567265346e+01 8.478177102e+00 2.189436306e+01 2.567270909e+01 2.567276473e+01 -1.548141283e+00 7.754172794e+00 2.138642328e+01 -3.275352132e-01 5.622409553e+00 1.96 2.291981175e+01 7.338217760e+00 1.992911756e+01 2.291985419e+01 2.291989663e+01 -1.922726713e+00 6.738696813e+00 1.908942466e+01 -7.536485911e-01 3.633643661e+00 1.98 2.072100136e+01 6.286644415e+00 1.809401048e+01 2.072103809e+01 2.072107483e+01 -2.263880771e+00 5.798163177e+00 1.717821844e+01 -1.141628807e+00 2.479387967e+00 2.00 1.885457946e+01 5.317599950e+00 1.638133178e+01 1.885461494e+01 1.885465042e+01 -2.573742321e+00 4.927845253e+00 1.551071016e+01 -1.494055310e+00 1.814537996e+00 2.02 1.710788261e+01 4.425588957e+00 1.478380428e+01 1.710791688e+01 1.710795116e+01 -2.854328984e+00 4.078871027e+00 1.395392317e+01 -1.813349903e+00 1.200412547e+00 2.04 1.547411601e+01 3.605456220e+00 1.329456004e+01 1.547414912e+01 1.547418222e+01 -3.107543611e+00 3.216422063e+00 1.250140686e+01 -2.101963272e+00 6.339253831e-01 2.06 1.394684776e+01 2.801562309e+00 1.190711803e+01 1.394687974e+01 1.394691172e+01 -3.335180418e+00 2.354856660e+00 1.114706323e+01 -2.360602546e+00 1.121611160e-01 2.08 1.251999012e+01 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