# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Kumagai-T-Izumi-S-Hara-S-Sakai-S--Si # implementation = 2007--Kumagai-T--Si--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 nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan 2.820289749e+03 nan nan nan nan 0.62 nan nan nan nan nan 2.506060392e+03 nan nan 2.926059011e+03 nan 0.64 nan nan nan nan nan 2.232730795e+03 nan nan 2.606242729e+03 nan 0.66 nan nan nan nan nan 1.993210422e+03 nan nan 2.326288239e+03 nan 0.68 nan 2.941232488e+03 nan nan nan 1.782161662e+03 nan nan 2.080690472e+03 2.958895179e+03 0.70 nan 2.644113846e+03 nan nan nan 1.596315611e+03 2.699911153e+03 nan 1.864853750e+03 2.661151795e+03 0.72 nan 2.381174613e+03 nan nan nan 1.432907192e+03 2.432290061e+03 nan 1.674418278e+03 2.397664671e+03 0.74 nan 2.147669455e+03 2.966705144e+03 nan nan 1.288951627e+03 2.194548053e+03 nan 1.505611695e+03 2.164413191e+03 0.76 2.985559798e+03 1.939952914e+03 2.690530390e+03 2.985253969e+03 2.985157115e+03 1.161505301e+03 1.983347936e+03 2.778759355e+03 1.355577460e+03 1.957317242e+03 0.78 2.714638748e+03 1.754785572e+03 2.443538144e+03 2.714024126e+03 2.713745771e+03 1.048054835e+03 1.795453719e+03 2.524382396e+03 1.222070130e+03 1.772318188e+03 0.80 2.471432499e+03 1.589190125e+03 2.222066632e+03 2.470946263e+03 2.470691277e+03 9.466825960e+02 1.627635172e+03 2.296026072e+03 1.103061405e+03 1.606382983e+03 0.82 2.252456682e+03 1.440809175e+03 2.023112713e+03 2.252518045e+03 2.252450532e+03 8.560169004e+02 1.477076585e+03 2.090753391e+03 9.967152829e+02 1.457588264e+03 0.84 2.055151893e+03 1.307652768e+03 1.843791459e+03 2.055711819e+03 2.055848056e+03 7.748669335e+02 1.341636886e+03 1.906129221e+03 9.014648078e+02 1.324321481e+03 0.86 1.877409496e+03 1.187934183e+03 1.681776165e+03 1.878063474e+03 1.878323898e+03 7.021125976e+02 1.219780492e+03 1.739916005e+03 8.160565211e+02 1.204734137e+03 0.88 1.717185477e+03 1.080137167e+03 1.535468067e+03 1.717554279e+03 1.717850634e+03 6.367683355e+02 1.110178564e+03 1.590030449e+03 7.393971779e+02 1.097001314e+03 0.90 1.572352683e+03 9.830069601e+02 1.403582658e+03 1.572347480e+03 1.572608884e+03 5.780586406e+02 1.011477209e+03 1.454520023e+03 6.704973177e+02 9.996227516e+02 0.92 1.441031797e+03 8.954032616e+02 1.284681464e+03 1.440761395e+03 1.440896847e+03 5.253283935e+02 9.223074484e+02 1.331698504e+03 6.085002714e+02 9.114824477e+02 0.94 1.321688701e+03 8.161879920e+02 1.177074621e+03 1.321314748e+03 1.321255559e+03 4.778833057e+02 8.414670038e+02 1.220147992e+03 5.526693268e+02 8.316419763e+02 0.96 1.213018355e+03 7.443443105e+02 1.079167239e+03 1.212721087e+03 1.212486603e+03 4.350157880e+02 7.680292719e+02 1.118688843e+03 5.023398043e+02 7.592391462e+02 0.98 1.113980040e+03 6.791122852e+02 9.898212005e+02 1.113870421e+03 1.113561815e+03 3.961528813e+02 7.012814741e+02 1.026373327e+03 4.568900614e+02 6.935438072e+02 1.00 1.023725477e+03 6.199015016e+02 9.082229837e+02 1.023792297e+03 1.023533513e+03 3.608284708e+02 6.406081216e+02 9.423799001e+02 4.157668742e+02 6.339256204e+02 1.02 9.414972974e+02 5.661426004e+02 8.337152195e+02 9.416339541e+02 9.415019705e+02 3.286787413e+02 5.854671245e+02 8.658825895e+02 3.785003095e+02 5.798224834e+02 1.04 8.665356248e+02 5.172129836e+02 7.657320372e+02 8.666199065e+02 8.666218166e+02 2.994532902e+02 5.353772950e+02 7.960181101e+02 3.446845054e+02 5.307048505e+02 1.06 7.979947198e+02 4.725355038e+02 7.037283787e+02 7.979884041e+02 7.980976766e+02 2.729557575e+02 4.898920022e+02 7.319778989e+02 3.139369262e+02 4.860721956e+02 1.08 7.350364020e+02 4.316987218e+02 6.471281782e+02 7.350147496e+02 7.352081033e+02 2.489871182e+02 4.485682935e+02 6.731438522e+02 2.859139727e+02 4.454564009e+02 1.10 6.770388565e+02 3.944420603e+02 5.953184695e+02 6.771085984e+02 6.773593248e+02 2.273116034e+02 4.109526028e+02 6.191187739e+02 2.603421449e+02 4.084293784e+02 1.12 6.236496874e+02 3.605488229e+02 5.477171853e+02 6.238464190e+02 6.241134510e+02 2.076465260e+02 3.766050978e+02 5.696234695e+02 2.370286161e+02 3.746188994e+02 1.14 5.746451568e+02 3.297645308e+02 5.038647447e+02 5.749163848e+02 5.751540707e+02 1.897100257e+02 3.451593149e+02 5.243674715e+02 2.158196398e+02 3.436639404e+02 1.16 5.297789192e+02 3.017842917e+02 4.634664791e+02 5.300358092e+02 5.302094609e+02 1.732820277e+02 3.163403966e+02 4.830014718e+02 1.965462173e+02 3.152155563e+02 1.18 4.887326207e+02 2.762856031e+02 4.263538508e+02 4.888950451e+02 4.889810925e+02 1.582278153e+02 2.899402672e+02 4.451333601e+02 1.790148269e+02 2.890080862e+02 1.20 4.511314151e+02 2.529624396e+02 3.923795437e+02 4.511532455e+02 4.511372520e+02 1.444613930e+02 2.657742752e+02 4.103740233e+02 1.630280285e+02 2.648748430e+02 1.22 4.165964194e+02 2.315470705e+02 3.613287441e+02 4.164748488e+02 4.163539368e+02 1.318912098e+02 2.436486528e+02 3.783905963e+02 1.484173729e+02 2.427109173e+02 1.24 3.847836862e+02 2.118273834e+02 3.329212062e+02 3.845525962e+02 3.843404851e+02 1.204123495e+02 2.233648961e+02 3.489097082e+02 1.350591854e+02 2.224107374e+02 1.26 3.553929834e+02 1.936463774e+02 3.068593652e+02 3.551076598e+02 3.548400313e+02 1.099172112e+02 2.047339963e+02 3.216980812e+02 1.228585643e+02 2.038187609e+02 1.28 3.281840571e+02 1.768948262e+02 2.828787077e+02 3.279035055e+02 3.276323268e+02 1.003078732e+02 1.875821583e+02 2.965595866e+02 1.117265878e+02 1.867558099e+02 1.30 3.029707357e+02 1.614982923e+02 2.607727817e+02 3.027472150e+02 3.025268400e+02 9.150331246e+01 1.717640870e+02 2.733353109e+02 1.015751766e+02 1.710604349e+02 1.32 2.796199003e+02 1.473948880e+02 2.403826703e+02 2.794879651e+02 2.793570555e+02 8.343872875e+01 1.571667680e+02 2.518987210e+02 9.231771172e+01 1.566131609e+02 1.34 2.580356262e+02 1.345146403e+02 2.215754296e+02 2.580048470e+02 2.579748252e+02 7.605775629e+01 1.436959910e+02 2.321378860e+02 8.387276249e+01 1.433364398e+02 1.36 2.381328910e+02 1.227694206e+02 2.042251555e+02 2.381883469e+02 2.382445367e+02 6.930264282e+01 1.312752779e+02 2.139331138e+02 7.616759411e+01 1.311757086e+02 1.38 2.198099965e+02 1.120534964e+02 1.882074111e+02 2.199227494e+02 2.200362124e+02 6.311411748e+01 1.198453681e+02 1.971545952e+02 6.913767677e+01 1.200698248e+02 1.40 2.029317519e+02 1.022512468e+02 1.733989428e+02 2.030750248e+02 2.032189728e+02 5.743582142e+01 1.093571949e+02 1.816709330e+02 6.272286619e+01 1.099288219e+02 1.42 1.873471705e+02 9.325442562e+01 1.596875539e+02 1.875060156e+02 1.876654845e+02 5.221808162e+01 9.976225978e+01 1.673621110e+02 5.686492021e+01 1.006445688e+02 1.44 1.729163140e+02 8.497503701e+01 1.469737987e+02 1.730857518e+02 1.732557440e+02 4.741616574e+01 9.100312509e+01 1.541267666e+02 5.150697746e+01 9.211187226e+01 1.46 1.595283891e+02 7.734767196e+01 1.351600825e+02 1.597034743e+02 1.598790245e+02 4.298306913e+01 8.301065628e+01 1.418833657e+02 4.659535684e+01 8.424482834e+01 1.48 1.471058232e+02 7.031913499e+01 1.241608511e+02 1.472745336e+02 1.474435992e+02 3.887412759e+01 7.570837281e+01 1.305666762e+02 4.208348916e+01 7.698284792e+01 1.50 1.355950817e+02 6.383901049e+01 1.139147216e+02 1.357379878e+02 1.358811206e+02 3.505513826e+01 6.902100790e+01 1.201191127e+02 3.793451671e+01 7.028556395e+01 1.52 1.249486989e+02 5.786136213e+01 1.043857539e+02 1.250447529e+02 1.251408924e+02 3.150571404e+01 6.288258797e+01 1.104806862e+02 3.412041988e+01 6.411914758e+01 1.54 1.151147731e+02 5.234467606e+01 9.555558899e+01 1.151485886e+02 1.151823455e+02 2.821740324e+01 5.723892974e+01 1.015835973e+02 3.061736948e+01 5.844861828e+01 1.56 1.060352403e+02 4.725336709e+01 8.741133864e+01 1.060019037e+02 1.059683733e+02 2.518847326e+01 5.204599415e+01 9.335592717e+01 2.740282660e+01 5.323680709e+01 1.58 9.764676801e+01 4.255970181e+01 7.993428875e+01 9.755296000e+01 9.745884345e+01 2.241775046e+01 4.726794548e+01 8.572535693e+01 2.445555994e+01 4.844491376e+01 1.60 8.987589519e+01 3.824229019e+01 7.309298284e+01 8.973855409e+01 8.960081996e+01 1.989953465e+01 4.287436203e+01 7.862364625e+01 2.175579186e+01 4.403156688e+01 1.62 8.264475686e+01 3.428334009e+01 6.684203647e+01 8.248740702e+01 8.232961731e+01 1.762086269e+01 3.883609421e+01 7.199713896e+01 1.928521409e+01 3.995535291e+01 1.64 7.588708291e+01 3.066609886e+01 6.112594152e+01 7.573426892e+01 7.558100878e+01 1.556158509e+01 3.512405951e+01 6.581067001e+01 1.702690674e+01 3.618042684e+01 1.66 6.955775386e+01 2.737249364e+01 5.588570273e+01 6.942973780e+01 6.930130842e+01 1.369688268e+01 3.171023737e+01 6.004544258e+01 1.496518562e+01 3.267966784e+01 1.68 6.363339574e+01 2.438142990e+01 5.106423350e+01 6.354279867e+01 6.345185498e+01 1.199994117e+01 2.856803251e+01 5.469345923e+01 1.308508656e+01 2.943452804e+01 1.70 5.810589435e+01 2.166820181e+01 4.660709091e+01 5.805679596e+01 5.800744211e+01 1.044176551e+01 2.567216180e+01 4.974985672e+01 1.137054787e+01 2.643236750e+01 1.72 5.297468324e+01 1.920613727e+01 4.246762615e+01 5.296380697e+01 5.295277857e+01 8.995617812e+00 2.300010107e+01 4.520649722e+01 9.804744223e+00 2.366378538e+01 1.74 4.823909515e+01 1.696898403e+01 3.861163287e+01 4.825832559e+01 4.827750620e+01 7.642086546e+00 2.053295496e+01 4.104799114e+01 8.371912180e+00 2.112011754e+01 1.76 4.389221761e+01 1.493286214e+01 3.501615892e+01 4.393112864e+01 4.397007834e+01 6.369889392e+00 1.825518471e+01 3.725057047e+01 7.058626918e+00 1.879140426e+01 1.78 3.991761137e+01 1.307727290e+01 3.166601351e+01 3.996545164e+01 4.001339445e+01 5.174307550e+00 1.615420644e+01 3.378360104e+01 5.854537696e+00 1.666525663e+01 1.80 3.628925116e+01 1.138456419e+01 2.855190744e+01 3.633671713e+01 3.638431905e+01 4.055997942e+00 1.421972394e+01 3.061286272e+01 4.752242807e+00 1.472675133e+01 1.82 3.297416142e+01 9.839066444e+00 2.566797353e+01 3.301464531e+01 3.305526932e+01 3.019198076e+00 1.244280778e+01 2.770435699e+01 3.746609346e+00 1.295920612e+01 1.84 2.993660602e+01 8.427286206e+00 2.300900649e+01 2.996667969e+01 2.999687571e+01 2.069649456e+00 1.081498523e+01 2.502719293e+01 2.833115512e+00 1.134548191e+01 1.86 2.714245260e+01 7.137713729e+00 2.056814532e+01 2.716158782e+01 2.718081610e+01 1.212562187e+00 9.327506720e+00 2.255525931e+01 2.005904602e+00 9.869365159e+00 1.88 2.456250994e+01 5.960133273e+00 1.833546594e+01 2.457224294e+01 2.458203818e+01 4.507301622e-01 7.970038156e+00 2.026767648e+01 1.257743731e+00 8.516631864e+00 1.90 2.217414658e+01 4.885432992e+00 1.629765534e+01 2.217700720e+01 2.217990448e+01 -2.170129957e-01 6.729804680e+00 1.814872158e+01 5.808302414e-01 7.275558211e+00 1.92 1.996107689e+01 3.905532143e+00 1.443866661e+01 1.995960400e+01 1.995814996e+01 -7.965473581e-01 5.593335333e+00 1.618637689e+01 -3.225051243e-02 6.136821256e+00 1.94 1.791051139e+01 3.013154948e+00 1.274104506e+01 1.790668154e+01 1.790285978e+01 -1.297954679e+00 4.548384959e+00 1.437004258e+01 -5.878210085e-01 5.091836936e+00 1.96 1.600954896e+01 2.201586491e+00 1.118749861e+01 1.600467939e+01 1.599981247e+01 -1.733735030e+00 3.585207463e+00 1.268942949e+01 -1.090768084e+00 4.130301728e+00 1.98 1.424546750e+01 1.464602605e+00 9.762285576e+00 1.424029378e+01 1.423512059e+01 -2.116406747e+00 2.697034458e+00 1.113475125e+01 -1.544552835e+00 3.241451774e+00 2.00 1.260675335e+01 7.964345501e-01 8.452109055e+00 1.260158611e+01 1.259641890e+01 -2.456421462e+00 1.879831592e+00 9.697106976e+00 -1.951485465e+00 2.415965073e+00 2.02 1.108374225e+01 1.917362583e-01 7.246392816e+00 1.107865107e+01 1.107355989e+01 -2.761032412e+00 1.131557178e+00 8.368665031e+00 -2.313148267e+00 1.647093192e+00 2.04 9.668816701e+00 -3.544460660e-01 6.136960399e+00 9.663790953e+00 9.658765206e+00 -3.034300040e+00 4.511546246e-01 7.142652637e+00 -2.630879382e+00 9.309604810e-01 2.06 8.356211160e+00 -8.467021768e-01 5.116982757e+00 8.351235159e+00 8.346259158e+00 -3.278628442e+00 -1.625331317e-01 6.013194912e+00 -2.906407321e+00 2.661832860e-01 2.08 7.141543167e+00 -1.289283995e+00 4.180157125e+00 7.136604334e+00 7.131665502e+00 -3.496142541e+00 -7.114320206e-01 4.975065485e+00 -3.142401014e+00 -3.469160723e-01 2.10 6.021215126e+00 -1.686129941e+00 3.320605789e+00 6.016305724e+00 6.011396321e+00 -3.688825975e+00 -1.198544840e+00 4.023412673e+00 -3.342474997e+00 -9.072062682e-01 2.12 4.991822186e+00 -2.040887528e+00 2.532847832e+00 4.986940348e+00 4.982058510e+00 -3.858530157e+00 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