# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Starikov-S-V-Lopanitsyna-N-Y-Smirnova-D-E-Makarov-S-V--Si-Au # implementation = 2018--Starikov-S-V--Si-Au--LAMMPS--ipr2 # 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 nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 2.652637606e+02 nan 0.80 nan nan nan nan nan nan nan nan 2.373685123e+02 nan 0.82 nan nan nan nan nan nan nan nan 2.125186892e+02 nan 0.84 nan nan nan nan nan 1.674066690e+02 nan nan 1.903818625e+02 nan 0.86 nan nan nan nan nan 1.514396089e+02 nan nan 1.707352650e+02 nan 0.88 nan nan nan nan nan 1.372511463e+02 nan nan 1.533578237e+02 nan 0.90 nan nan nan nan nan 1.246966595e+02 nan nan 1.379974755e+02 nan 0.92 nan nan nan nan nan 1.133994689e+02 nan nan 1.243216477e+02 nan 0.94 nan nan nan 2.826040064e+02 2.827175544e+02 1.032855514e+02 nan nan 1.122146017e+02 1.720719672e+02 0.96 nan 1.525772427e+02 nan 2.579216719e+02 2.580904212e+02 9.400669991e+01 1.569871184e+02 nan 1.015076502e+02 1.557697522e+02 0.98 nan 1.380285944e+02 nan 2.356419924e+02 2.358272359e+02 8.546493279e+01 1.417715607e+02 nan 9.196324540e+01 1.411486820e+02 1.00 nan 1.248137816e+02 nan 2.154528938e+02 2.156145083e+02 7.764892833e+01 1.281954815e+02 nan 8.344807167e+01 1.281084721e+02 1.02 nan 1.126901214e+02 nan 1.967901815e+02 1.969329353e+02 7.056990711e+01 1.160479261e+02 nan 7.581179411e+01 1.163756739e+02 1.04 nan 1.016497133e+02 nan 1.798814708e+02 1.799632773e+02 6.414093318e+01 1.051792528e+02 nan 6.896432976e+01 1.059683582e+02 1.06 nan 9.163048362e+01 nan 1.643178890e+02 1.643589998e+02 5.827989999e+01 9.547978562e+01 1.492920734e+02 6.281047113e+01 9.658957720e+01 1.08 1.499847110e+02 8.258993949e+01 1.296358460e+02 1.499877830e+02 1.500029092e+02 5.283104690e+01 8.680525893e+01 1.359473847e+02 5.717028573e+01 8.811338841e+01 1.10 1.368306854e+02 7.445785828e+01 1.178747008e+02 1.368227264e+02 1.368310424e+02 4.798744459e+01 7.908755876e+01 1.237296005e+02 5.208156633e+01 8.046778128e+01 1.12 1.247435282e+02 6.715720497e+01 1.072138491e+02 1.247293943e+02 1.247129430e+02 4.353380055e+01 7.217393964e+01 1.125868395e+02 4.740908881e+01 7.356179503e+01 1.14 1.137231596e+02 6.062718214e+01 9.754786928e+01 1.136845713e+02 1.136407058e+02 3.941796374e+01 6.597818331e+01 1.024637042e+02 4.311628387e+01 6.727894729e+01 1.16 1.037042084e+02 5.477663452e+01 8.875477689e+01 1.036347215e+02 1.035738517e+02 3.560513422e+01 6.039887273e+01 9.328382230e+01 3.916774373e+01 6.157681240e+01 1.18 9.457696070e+01 4.956207576e+01 8.070696143e+01 9.448828556e+01 9.441529472e+01 3.207266382e+01 5.536866119e+01 8.494200102e+01 3.546720443e+01 5.644329335e+01 1.20 8.627049860e+01 4.492601740e+01 7.338833132e+01 8.617268424e+01 8.609385521e+01 2.882913872e+01 5.072763407e+01 7.739457439e+01 3.212403683e+01 5.177090359e+01 1.22 7.874509367e+01 4.082039102e+01 6.676817794e+01 7.864442203e+01 7.857151773e+01 2.588929050e+01 4.659981293e+01 7.055403886e+01 2.903555277e+01 4.747023526e+01 1.24 7.187799141e+01 3.715210150e+01 6.077452134e+01 7.181379756e+01 7.175628793e+01 2.323627737e+01 4.275934770e+01 6.433483883e+01 2.619439814e+01 4.339864099e+01 1.26 6.568154463e+01 3.387348235e+01 5.539272695e+01 6.567670242e+01 6.564046579e+01 2.085682384e+01 3.914858978e+01 5.874466735e+01 2.358766280e+01 3.968118664e+01 1.28 6.008304057e+01 3.093723978e+01 5.057565626e+01 6.011680703e+01 6.010285595e+01 1.874050571e+01 3.575026136e+01 5.370709344e+01 2.120528051e+01 3.626304087e+01 1.30 5.499103164e+01 2.833063640e+01 4.626099065e+01 5.504611024e+01 5.505579845e+01 1.688537901e+01 3.257825859e+01 4.913434131e+01 1.904140182e+01 3.310779640e+01 1.32 5.036808951e+01 2.602542808e+01 4.238256703e+01 5.042210054e+01 5.044830316e+01 1.526662997e+01 2.966136307e+01 4.497795104e+01 1.709428843e+01 3.018092993e+01 1.34 4.617085957e+01 2.397042236e+01 3.892907466e+01 4.620560915e+01 4.623444969e+01 1.387324187e+01 2.698930758e+01 4.120886292e+01 1.535585565e+01 2.743897553e+01 1.36 4.235791103e+01 2.213085672e+01 3.585688704e+01 4.236270102e+01 4.238813240e+01 1.268503160e+01 2.454509824e+01 3.779314333e+01 1.380834010e+01 2.485307423e+01 1.38 3.890492467e+01 2.047304132e+01 3.310337656e+01 3.887457206e+01 3.889544555e+01 1.166889080e+01 2.230425044e+01 3.469951282e+01 1.242913196e+01 2.243646141e+01 1.40 3.575991950e+01 1.895682404e+01 3.059912154e+01 3.571415784e+01 3.573215958e+01 1.077905266e+01 2.025444800e+01 3.189372480e+01 1.120131542e+01 2.020068680e+01 1.42 3.288216229e+01 1.756999546e+01 2.832368070e+01 3.285144303e+01 3.286620343e+01 9.993877662e+00 1.831302993e+01 2.934388869e+01 1.010729706e+01 1.816333497e+01 1.44 3.025744731e+01 1.622892517e+01 2.625641196e+01 3.025529690e+01 3.026288354e+01 9.295929027e+00 1.658378737e+01 2.703408019e+01 9.094457068e+00 1.633216232e+01 1.46 2.788580898e+01 1.504658373e+01 2.437012909e+01 2.790277716e+01 2.790031102e+01 8.686860153e+00 1.500503658e+01 2.494293140e+01 8.227128707e+00 1.469927354e+01 1.48 2.574036229e+01 1.391564190e+01 2.262353968e+01 2.576386464e+01 2.575309224e+01 8.154375004e+00 1.356754156e+01 2.303735204e+01 7.454111699e+00 1.323752804e+01 1.50 2.379747483e+01 1.282289425e+01 2.098465619e+01 2.382095621e+01 2.380879658e+01 7.678600491e+00 1.226592431e+01 2.129311780e+01 6.765230673e+00 1.192263794e+01 1.52 2.202491292e+01 1.178049796e+01 1.937877991e+01 2.205129959e+01 2.204713555e+01 7.249998446e+00 1.108468111e+01 1.969107508e+01 6.152679005e+00 1.072925829e+01 1.54 2.041246161e+01 1.078893753e+01 1.796686073e+01 2.043669370e+01 2.044510420e+01 6.869747803e+00 1.000922629e+01 1.822394276e+01 5.601399189e+00 9.662549996e+00 1.56 1.893061535e+01 9.839759275e+00 1.665373913e+01 1.895675512e+01 1.897862519e+01 6.533211478e+00 9.036702074e+00 1.688058213e+01 5.098952019e+00 8.718206402e+00 1.58 1.755838694e+01 8.846949601e+00 1.543903197e+01 1.759100381e+01 1.762399571e+01 6.242916735e+00 8.161082253e+00 1.564767609e+01 4.644537679e+00 7.897489790e+00 1.60 1.627961075e+01 7.958423869e+00 1.430259834e+01 1.632579645e+01 1.636878362e+01 5.991833117e+00 7.380226820e+00 1.451372939e+01 4.239629729e+00 7.194310027e+00 1.62 1.509921807e+01 7.112626538e+00 1.322031299e+01 1.515462866e+01 1.520133114e+01 5.770366567e+00 6.683501388e+00 1.348042845e+01 3.878763874e+00 6.589817637e+00 1.64 1.403194871e+01 6.312311840e+00 1.218076050e+01 1.407761841e+01 1.411999237e+01 5.568330893e+00 6.062198287e+00 1.254000281e+01 3.558335871e+00 6.062823315e+00 1.66 1.307303141e+01 5.553492893e+00 1.118767951e+01 1.309373133e+01 1.312592246e+01 5.378896681e+00 5.483185918e+00 1.168111584e+01 3.278312993e+00 5.590532331e+00 1.68 1.220084226e+01 4.831725178e+00 1.024508247e+01 1.219183499e+01 1.221107718e+01 5.197272443e+00 4.985704791e+00 1.089076540e+01 3.039724263e+00 5.168993382e+00 1.70 1.139529098e+01 4.145039654e+00 9.356161926e+00 1.136654727e+01 1.137310798e+01 5.017367857e+00 4.541813545e+00 1.012494132e+01 2.839524275e+00 4.795372410e+00 1.72 1.063937134e+01 3.507491593e+00 8.536066833e+00 1.061012431e+01 1.060648486e+01 4.770181335e+00 4.145448925e+00 9.366940065e+00 2.672158387e+00 4.461556928e+00 1.74 9.939698765e+00 2.929650340e+00 7.792471221e+00 9.919425005e+00 9.908443341e+00 4.024949725e+00 3.790274913e+00 8.701078547e+00 2.530258208e+00 4.168060498e+00 1.76 9.140674889e+00 2.395286406e+00 7.007390228e+00 9.126881750e+00 9.110084960e+00 3.240274290e+00 3.412624086e+00 8.007820985e+00 2.371764100e+00 3.833393527e+00 1.78 8.513609247e+00 1.931784984e+00 6.351657998e+00 8.501931082e+00 8.480183004e+00 2.566461395e+00 3.096129987e+00 7.374155391e+00 2.262264240e+00 3.592193117e+00 1.80 7.889841370e+00 1.509847286e+00 5.703294826e+00 7.877162094e+00 7.850466278e+00 1.930787733e+00 2.780503057e+00 6.744879548e+00 2.059855741e+00 3.359083812e+00 1.82 7.272877219e+00 1.122743532e+00 5.066222047e+00 7.251895300e+00 7.217988729e+00 1.337802544e+00 2.470316937e+00 6.115389537e+00 1.504444362e+00 3.133270966e+00 1.84 6.659027937e+00 7.651783868e-01 4.455545934e+00 6.629377089e+00 6.589218101e+00 7.827920686e-01 2.175182794e+00 5.484372229e+00 9.785446715e-01 2.911222683e+00 1.86 6.043483580e+00 4.358076407e-01 3.876227421e+00 6.010798468e+00 5.968192368e+00 2.656137492e-01 1.898737074e+00 4.857710357e+00 4.754483833e-01 2.688993416e+00 1.88 5.424095397e+00 1.388418064e-01 3.326756197e+00 5.395738600e+00 5.355967204e+00 -2.123967384e-01 1.642224118e+00 4.240309191e+00 -2.092717018e-03 2.465494167e+00 1.90 4.807375302e+00 -1.207260713e-01 2.806256737e+00 4.787849670e+00 4.756108995e+00 -6.519153672e-01 1.405184238e+00 3.638917407e+00 -4.502478752e-01 2.249395542e+00 1.92 4.196305336e+00 -3.933227959e-01 2.316821419e+00 4.188361874e+00 4.169348842e+00 -1.058809780e+00 1.187681097e+00 3.059123034e+00 -8.671615482e-01 2.042910378e+00 1.94 3.597314379e+00 -6.909300692e-01 1.860002243e+00 3.600194492e+00 3.595720604e+00 -1.438571146e+00 9.888507612e-01 2.505661927e+00 -1.252049400e+00 1.846905520e+00 1.96 3.016563807e+00 -1.161305902e+00 1.435785751e+00 3.030214845e+00 3.039040044e+00 -1.794741406e+00 8.089530383e-01 1.984560048e+00 -1.606170473e+00 1.660923817e+00 1.98 2.466150696e+00 -1.565660902e+00 1.046314908e+00 2.486252231e+00 2.504746238e+00 -2.130214010e+00 4.505940274e-01 1.504006087e+00 -1.929428093e+00 1.241236459e+00 2.00 1.955279503e+00 -1.902977288e+00 6.904052564e-01 1.974281071e+00 1.997614627e+00 -2.445279825e+00 -3.698025729e-02 1.068106177e+00 -2.223596692e+00 6.129273022e-01 2.02 1.485436989e+00 -2.175496891e+00 3.668930204e-01 1.500527500e+00 1.526935580e+00 -2.731825153e+00 -4.836764483e-01 6.742747469e-01 -2.489044684e+00 2.745590699e-02 2.04 1.055704381e+00 -2.395020078e+00 7.616671736e-02 1.068324079e+00 1.097502396e+00 -2.987159429e+00 -8.949354249e-01 3.205183546e-01 -2.726607536e+00 -5.073014690e-01 2.06 6.632365163e-01 -2.571113564e+00 -1.813953378e-01 6.783904641e-01 7.106032802e-01 -3.222039159e+00 -1.270292289e+00 3.070142770e-03 -2.936999637e+00 -9.860441596e-01 2.08 3.063768491e-01 -2.714835115e+00 -4.046302018e-01 3.283985699e-01 3.635888726e-01 -3.446410856e+00 -1.609314760e+00 -2.775723623e-01 -3.121786507e+00 -1.411631135e+00 2.10 -8.043617390e-03 -2.838132531e+00 -7.003006218e-01 1.959032262e-02 5.552650424e-02 -3.660599116e+00 -1.913005559e+00 -5.182270274e-01 -3.284907285e+00 -1.796831283e+00 2.12 -2.821058323e-01 -2.947841280e+00 -1.157881022e+00 -2.511254853e-01 -2.170894868e-01 -3.853167731e+00 -2.182361661e+00 -8.089571246e-01 -3.427154917e+00 -2.144132007e+00 2.14 -5.186850025e-01 -3.047822895e+00 -1.548906670e+00 -5.156300825e-01 -5.141003390e-01 -4.014084288e+00 -2.420261209e+00 -1.197254980e+00 -3.544987679e+00 -2.453496998e+00 2.16 -8.002751519e-01 -3.141666816e+00 -1.875610008e+00 -8.825017547e-01 -9.632311045e-01 -4.146424357e+00 -2.630466015e+00 -1.539041600e+00 -3.644338079e+00 -2.724707103e+00 2.18 -1.177364726e+00 -3.231085187e+00 -2.140049085e+00 -1.267822074e+00 -1.345894619e+00 -4.257209782e+00 -2.815727384e+00 -1.842514056e+00 -3.736779752e+00 -2.958147069e+00 2.20 -1.505025688e+00 -3.315701205e+00 -2.346564053e+00 -1.600421859e+00 -1.673458151e+00 -4.351198820e+00 -2.981630279e+00 -2.113611551e+00 -3.831104314e+00 -3.156428144e+00 2.22 -1.797950343e+00 -3.396106411e+00 -2.510161654e+00 -1.891113872e+00 -1.955538536e+00 -4.429855122e+00 -3.131768636e+00 -2.357480475e+00 -3.923907326e+00 -3.325757361e+00 2.24 -2.068863396e+00 -3.468842189e+00 -2.640726311e+00 -2.149482707e+00 -2.201204372e+00 -4.493942643e+00 -3.267872704e+00 -2.574860973e+00 -4.005190739e+00 -3.470974926e+00 2.26 -2.321550981e+00 -3.530567151e+00 -2.747391497e+00 -2.380382923e+00 -2.416347639e+00 -4.544466792e+00 -3.391386133e+00 -2.763422773e+00 -4.067122476e+00 -3.596268310e+00 2.28 -2.551652998e+00 -3.579117791e+00 -2.839515481e+00 -2.583968226e+00 -2.603438163e+00 -4.582377372e+00 -3.503742495e+00 -2.926788004e+00 -4.112415746e+00 -3.704679649e+00 2.30 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