# 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 = OSi3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 3.492649650e+03 nan nan 0.64 3.127673762e+03 nan nan 0.66 2.797661677e+03 nan nan 0.68 2.509343897e+03 3.427210673e+03 nan 0.70 2.257372217e+03 3.100828442e+03 3.434926923e+03 0.72 2.034037233e+03 2.804745428e+03 3.111564156e+03 0.74 1.833435847e+03 2.541390131e+03 2.815672020e+03 0.76 1.656491915e+03 2.298921837e+03 2.548060203e+03 0.78 1.501959740e+03 2.080904321e+03 2.316562841e+03 0.80 1.363002625e+03 1.888934507e+03 2.113117407e+03 0.82 1.240349061e+03 1.725674518e+03 1.926421440e+03 0.84 1.126946396e+03 1.581051745e+03 1.755721158e+03 0.86 1.019796517e+03 1.445823819e+03 1.599523939e+03 0.88 9.232092504e+02 1.319943473e+03 1.459411126e+03 0.90 8.390686761e+02 1.203755913e+03 1.337881191e+03 0.92 7.648224621e+02 1.097393198e+03 1.229759754e+03 0.94 6.941221213e+02 1.003876272e+03 1.134530203e+03 0.96 6.269619013e+02 9.209135497e+02 1.045245087e+03 0.98 5.661558603e+02 8.477499640e+02 9.573577981e+02 1.00 5.143375779e+02 7.817050054e+02 8.740471504e+02 1.02 4.710633332e+02 7.171159061e+02 7.977763831e+02 1.04 4.347410975e+02 6.549326659e+02 7.306873896e+02 1.06 4.015546943e+02 5.974370215e+02 6.742550232e+02 1.08 3.705795802e+02 5.469498392e+02 6.245857412e+02 1.10 3.408284876e+02 5.029564020e+02 5.786793075e+02 1.12 3.126771942e+02 4.629763735e+02 5.368858387e+02 1.14 2.858829538e+02 4.253749771e+02 4.977201423e+02 1.16 2.604766143e+02 3.902109315e+02 4.601223248e+02 1.18 2.368610952e+02 3.581113539e+02 4.241112979e+02 1.20 2.156529502e+02 3.295212216e+02 3.904683278e+02 1.22 1.965007463e+02 3.046591226e+02 3.593565632e+02 1.24 1.794774715e+02 2.831508517e+02 3.313905422e+02 1.26 1.645888422e+02 2.635154996e+02 3.066052614e+02 1.28 1.506194391e+02 2.446866487e+02 2.823875822e+02 1.30 1.375737372e+02 2.266990318e+02 2.586378410e+02 1.32 1.257020661e+02 2.092507758e+02 2.359424669e+02 1.34 1.147685641e+02 1.914817767e+02 2.149772431e+02 1.36 1.038516513e+02 1.739596135e+02 1.965594330e+02 1.38 9.286083747e+01 1.573233451e+02 1.811602598e+02 1.40 8.226174988e+01 1.421821499e+02 1.682063512e+02 1.42 7.217326271e+01 1.287811490e+02 1.568769471e+02 1.44 6.268470681e+01 1.172923481e+02 1.463173165e+02 1.46 5.426467475e+01 1.080463586e+02 1.359539146e+02 1.48 4.749227719e+01 1.003994170e+02 1.250270084e+02 1.50 4.281429583e+01 9.327383182e+01 1.138562879e+02 1.52 3.909511053e+01 8.662514749e+01 1.027898558e+02 1.54 3.564808404e+01 8.033070144e+01 9.216971571e+01 1.56 3.245458716e+01 7.377016694e+01 8.234708602e+01 1.58 2.949722985e+01 6.698734966e+01 7.370395249e+01 1.60 2.675977975e+01 6.017536878e+01 6.662018630e+01 1.62 2.422708593e+01 5.352305819e+01 6.130691869e+01 1.64 2.188500777e+01 4.721797726e+01 5.681684949e+01 1.66 1.972034842e+01 4.146126027e+01 5.261833919e+01 1.68 1.772079266e+01 3.647602380e+01 4.869329897e+01 1.70 1.587484885e+01 3.247470483e+01 4.502474539e+01 1.72 1.417179466e+01 2.953615829e+01 4.159673293e+01 1.74 1.260162642e+01 2.702427896e+01 3.839429059e+01 1.76 1.115501171e+01 2.468493822e+01 3.540336242e+01 1.78 9.823245142e+00 2.250716290e+01 3.255942184e+01 1.80 8.598206980e+00 2.046444443e+01 2.967307651e+01 1.82 7.472324505e+00 1.851155475e+01 2.677092959e+01 1.84 6.438535911e+00 1.664918588e+01 2.390347693e+01 1.86 5.472862959e+00 1.487921118e+01 2.112121348e+01 1.88 4.544356655e+00 1.320241522e+01 1.847464799e+01 1.90 3.664194587e+00 1.161893590e+01 1.601520991e+01 1.92 2.842704294e+00 1.012909272e+01 1.379508970e+01 1.94 2.087959511e+00 8.734526627e+00 1.186340663e+01 1.96 1.405873881e+00 7.439411104e+00 1.025708554e+01 1.98 8.005325972e-01 6.251230389e+00 8.988375587e+00 2.00 2.746192894e-01 5.180337039e+00 7.923304466e+00 2.02 -1.702508854e-01 4.237496256e+00 6.935401255e+00 2.04 -5.335819254e-01 3.429398142e+00 6.019801605e+00 2.06 -8.397320301e-01 2.743878109e+00 5.171931167e+00 2.08 -1.104616330e+00 2.112836486e+00 4.370460337e+00 2.10 -1.327162658e+00 1.519107550e+00 3.596739814e+00 2.12 -1.542298093e+00 9.666704703e-01 2.859481159e+00 2.14 -1.716912535e+00 4.586986673e-01 2.166325728e+00 2.16 -1.818075324e+00 -2.593583287e-03 1.523443235e+00 2.18 -1.851391479e+00 -4.267443256e-01 9.354596267e-01 2.20 -1.834762287e+00 -8.315613147e-01 4.055557590e-01 2.22 -1.795258871e+00 -1.203320471e+00 -6.430732157e-02 2.24 -1.761982202e+00 -1.530812033e+00 -4.731058856e-01 2.26 -1.753992101e+00 -1.808272572e+00 -8.205177063e-01 2.28 -1.765393092e+00 -2.036410909e+00 -1.106908282e+00 2.30 -1.774484933e+00 -2.222962426e+00 -1.333948560e+00 2.32 -1.779682718e+00 -2.383022827e+00 -1.507106935e+00 2.34 -1.781528234e+00 -2.538687008e+00 -1.643099505e+00 2.36 -1.780289276e+00 -2.712244458e+00 -1.780265382e+00 2.38 -1.776217085e+00 -2.897107803e+00 -1.942611418e+00 2.40 -1.769547271e+00 -3.048472358e+00 -2.091712967e+00 2.42 -1.760500691e+00 -3.136172902e+00 -2.225321911e+00 2.44 -1.749284274e+00 -3.161627401e+00 -2.344469778e+00 2.46 -1.736091803e+00 -3.177630813e+00 -2.450128586e+00 2.48 -1.721104666e+00 -3.187105595e+00 -2.543214046e+00 2.50 -1.704492550e+00 -3.190563593e+00 -2.624588604e+00 2.52 -1.669238517e+00 -3.164434834e+00 -2.692825939e+00 2.54 -1.599601203e+00 -3.084077030e+00 -2.738038295e+00 2.56 -1.498661095e+00 -2.949425117e+00 -2.747523866e+00 2.58 -1.370747851e+00 -2.762184253e+00 -2.708877222e+00 2.60 -1.221286989e+00 -2.526241518e+00 -2.611769432e+00 2.62 -1.056598490e+00 -2.247984566e+00 -2.449649188e+00 2.64 -8.836475936e-01 -1.936483158e+00 -2.221251486e+00 2.66 -7.097520058e-01 -1.603494772e+00 -1.931799105e+00 2.68 -5.422543429e-01 -1.263258247e+00 -1.593766623e+00 2.70 -3.881734275e-01 -9.320385926e-01 -1.227044524e+00 2.72 -2.538524405e-01 -6.273826525e-01 -8.582950244e-01 2.74 -1.446251937e-01 -3.670441984e-01 -5.192482615e-01 2.76 -6.452320407e-02 -1.675485028e-01 -2.436857893e-01 2.78 -1.604478543e-02 -4.240285386e-02 -6.295258838e-02 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 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