# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al # implementation = 2020--Starikov-S--Si-Au-Al--LAMMPS--ipr1 # composition = Al3Si # 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 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.318386824e+02 nan nan 0.98 2.141276823e+02 nan nan 1.00 1.979967035e+02 nan nan 1.02 1.832107045e+02 nan nan 1.04 1.696145469e+02 nan nan 1.06 1.571070018e+02 2.203189505e+02 nan 1.08 1.456466910e+02 2.046286653e+02 2.296600355e+02 1.10 1.351711228e+02 1.903715705e+02 2.137316070e+02 1.12 1.256231315e+02 1.771758852e+02 1.989696520e+02 1.14 1.169349891e+02 1.651839913e+02 1.853262667e+02 1.16 1.090306096e+02 1.541229668e+02 1.727503565e+02 1.18 1.018378069e+02 1.439115860e+02 1.611906911e+02 1.20 9.529155108e+01 1.344949849e+02 1.505966376e+02 1.22 8.933943433e+01 1.258229059e+02 1.408965024e+02 1.24 8.392064200e+01 1.178433767e+02 1.320134775e+02 1.26 7.897300834e+01 1.105119585e+02 1.238782300e+02 1.28 7.444416262e+01 1.037814650e+02 1.163420294e+02 1.30 7.029652185e+01 9.760044663e+01 1.094649150e+02 1.32 6.650305424e+01 9.192209897e+01 1.031008798e+02 1.34 6.304306494e+01 8.671177865e+01 9.720050384e+01 1.36 5.989272862e+01 8.193472445e+01 9.172789923e+01 1.38 5.702452523e+01 7.755287580e+01 8.665537714e+01 1.40 5.440538940e+01 7.352225197e+01 8.195978863e+01 1.42 5.200586227e+01 6.981094229e+01 7.761845463e+01 1.44 4.980476927e+01 6.639173312e+01 7.360712402e+01 1.46 4.778106645e+01 6.324516821e+01 6.990305069e+01 1.48 4.581528153e+01 6.035192981e+01 6.648157390e+01 1.50 4.404576280e+01 5.768894425e+01 6.332184515e+01 1.52 4.236918213e+01 5.523316036e+01 6.040363483e+01 1.54 4.078139895e+01 5.296164785e+01 5.770790911e+01 1.56 3.928056727e+01 5.082135838e+01 5.521767112e+01 1.58 3.786496340e+01 4.878911442e+01 5.291669231e+01 1.60 3.653362256e+01 4.691943234e+01 5.078652012e+01 1.62 3.520273933e+01 4.515321537e+01 4.881368414e+01 1.64 3.400973456e+01 4.348828318e+01 4.698639798e+01 1.66 3.287207524e+01 4.192219274e+01 4.529448157e+01 1.68 3.179250908e+01 4.044996775e+01 4.372894323e+01 1.70 3.076938595e+01 3.906438698e+01 4.228066862e+01 1.72 2.979972149e+01 3.776045555e+01 4.093904951e+01 1.74 2.888350951e+01 3.653453417e+01 3.969342580e+01 1.76 2.802035294e+01 3.538326509e+01 3.853405046e+01 1.78 2.721092033e+01 3.430357512e+01 3.744952761e+01 1.80 2.580458684e+01 3.328481886e+01 3.642116008e+01 1.82 2.385654601e+01 3.221170649e+01 3.527659786e+01 1.84 2.216848171e+01 3.127840624e+01 3.430477642e+01 1.86 2.068905752e+01 3.037796211e+01 3.334560942e+01 1.88 1.667508333e+01 2.951290332e+01 3.240439439e+01 1.90 1.308373562e+01 2.868493213e+01 3.148638126e+01 1.92 1.016897094e+01 2.789516307e+01 3.059488245e+01 1.94 7.791255201e+00 2.714443312e+01 2.973241542e+01 1.96 5.838123441e+00 2.643301441e+01 2.890021137e+01 1.98 4.223783633e+00 2.415833407e+01 2.810042846e+01 2.00 2.888486718e+00 2.220493879e+01 2.733579189e+01 2.02 1.791938969e+00 2.060540452e+01 2.660881410e+01 2.04 9.000881167e-01 1.860552257e+01 2.592285005e+01 2.06 1.781254955e-01 1.496525813e+01 2.452930639e+01 2.08 -4.081739981e-01 1.190952922e+01 2.049612453e+01 2.10 -8.868667094e-01 9.324238513e+00 1.678662378e+01 2.12 -1.285253286e+00 7.147551399e+00 1.374717673e+01 2.14 -1.621614650e+00 5.333246817e+00 1.125534058e+01 2.16 -1.907789429e+00 3.840563847e+00 9.188576410e+00 2.18 -2.152008423e+00 2.627875472e+00 7.448796586e+00 2.20 -2.360849088e+00 1.650275761e+00 5.964134647e+00 2.22 -2.542141116e+00 8.587126874e-01 4.676554198e+00 2.24 -2.699617519e+00 2.166486114e-01 3.545632273e+00 2.26 -2.835885237e+00 -3.090080617e-01 2.550349180e+00 2.28 -2.954163805e+00 -7.470009455e-01 1.680437661e+00 2.30 -3.058704564e+00 -1.118651843e+00 9.249841998e-01 2.32 -3.153005293e+00 -1.438552183e+00 2.708332868e-01 2.34 -3.250737902e+00 -1.717725339e+00 -2.962701894e-01 2.36 -3.340457919e+00 -1.965120028e+00 -7.920328479e-01 2.38 -3.404540240e+00 -2.183998079e+00 -1.232319322e+00 2.40 -3.455130120e+00 -2.375394037e+00 -1.621007030e+00 2.42 -3.495421808e+00 -2.540711180e+00 -1.961326031e+00 2.44 -3.524511489e+00 -2.681287668e+00 -2.256285452e+00 2.46 -3.542498606e+00 -2.799403847e+00 -2.508661323e+00 2.48 -3.551088823e+00 -2.898520219e+00 -2.721590951e+00 2.50 -3.552355942e+00 -2.981881676e+00 -2.898229146e+00 2.52 -3.548124301e+00 -3.052114825e+00 -3.041669899e+00 2.54 -3.539844344e+00 -3.115143568e+00 -3.156169308e+00 2.56 -3.528655742e+00 -3.171895943e+00 -3.246166413e+00 2.58 -3.515487898e+00 -3.231067933e+00 -3.306481063e+00 2.60 -3.500987798e+00 -3.292114291e+00 -3.353782655e+00 2.62 -3.485610881e+00 -3.351003641e+00 -3.391358797e+00 2.64 -3.469495655e+00 -3.407720818e+00 -3.424967155e+00 2.66 -3.452399583e+00 -3.452770331e+00 -3.462312803e+00 2.68 -3.433741240e+00 -3.483704632e+00 -3.495945664e+00 2.70 -3.412612710e+00 -3.509221953e+00 -3.525389509e+00 2.72 -3.387982522e+00 -3.528908738e+00 -3.550218797e+00 2.74 -3.359203479e+00 -3.542061223e+00 -3.570198706e+00 2.76 -3.326522409e+00 -3.549058730e+00 -3.585033987e+00 2.78 -3.290448870e+00 -3.551041787e+00 -3.594446769e+00 2.80 -3.251888762e+00 -3.549108027e+00 -3.598454717e+00 2.82 -3.211734759e+00 -3.544053358e+00 -3.597833878e+00 2.84 -3.170702721e+00 -3.536401571e+00 -3.593351553e+00 2.86 -3.129382635e+00 -3.526680434e+00 -3.585830665e+00 2.88 -3.089335841e+00 -3.515255542e+00 -3.575994985e+00 2.90 -3.018040051e+00 -3.501437556e+00 -3.564365332e+00 2.92 -2.932934399e+00 -3.484081582e+00 -3.551461917e+00 2.94 -2.847725735e+00 -3.462105618e+00 -3.537715971e+00 2.96 -2.761490642e+00 -3.435416621e+00 -3.523156724e+00 2.98 -2.673745672e+00 -3.404645823e+00 -3.507369084e+00 3.00 -2.584915799e+00 -3.370492574e+00 -3.489638727e+00 3.02 -2.495820629e+00 -3.333936836e+00 -3.469229295e+00 3.04 -2.407646716e+00 -3.296305970e+00 -3.445794479e+00 3.06 -2.321809471e+00 -3.258742775e+00 -3.419600502e+00 3.08 -2.240029876e+00 -3.222482202e+00 -3.391080186e+00 3.10 -2.164157505e+00 -3.180495462e+00 -3.360661003e+00 3.12 -2.092233099e+00 -3.135766019e+00 -3.328520113e+00 3.14 -2.019703068e+00 -3.090630869e+00 -3.294588046e+00 3.16 -1.941606756e+00 -3.044425668e+00 -3.258916607e+00 3.18 -1.853955153e+00 -2.971101699e+00 -3.221652148e+00 3.20 -1.754056794e+00 -2.896802691e+00 -3.183386565e+00 3.22 -1.642429123e+00 -2.823647450e+00 -3.140962245e+00 3.24 -1.528422505e+00 -2.752694797e+00 -3.066679917e+00 3.26 -1.422616810e+00 -2.683744866e+00 -2.995508283e+00 3.28 -1.329127816e+00 -2.616805444e+00 -2.927085302e+00 3.30 -1.257553585e+00 -2.552735019e+00 -2.860658236e+00 3.32 -1.228739276e+00 -2.491705281e+00 -2.795447963e+00 3.34 -1.213308589e+00 -2.429660494e+00 -2.730664924e+00 3.36 -1.198932617e+00 -2.361743574e+00 -2.666128582e+00 3.38 -1.185173448e+00 -2.284826362e+00 -2.602304547e+00 3.40 -1.171702655e+00 -2.197917286e+00 -2.539584168e+00 3.42 -1.158275133e+00 -2.102940814e+00 -2.478212684e+00 3.44 -1.144922354e+00 -2.003966005e+00 -2.418701017e+00 3.46 -1.131189642e+00 -1.905934903e+00 -2.361794146e+00 3.48 -1.116687690e+00 -1.812863424e+00 -2.306699445e+00 3.50 -1.101790001e+00 -1.726621907e+00 -2.250807762e+00 3.52 -1.086894124e+00 -1.647245239e+00 -2.192211703e+00 3.54 -1.072425238e+00 -1.573566185e+00 -2.129875821e+00 3.56 -1.058855057e+00 -1.504078992e+00 -2.063506922e+00 3.58 -1.046700308e+00 -1.436933345e+00 -1.993033209e+00 3.60 -1.035988363e+00 -1.370248570e+00 -1.917145510e+00 3.62 -1.026646044e+00 -1.302169845e+00 -1.834989050e+00 3.64 -1.018865343e+00 -1.244713767e+00 -1.746734227e+00 3.66 -1.012755971e+00 -1.214334308e+00 -1.654568757e+00 3.68 -1.008414452e+00 -1.192108582e+00 -1.560955274e+00 3.70 -1.005914943e+00 -1.172324014e+00 -1.467488385e+00 3.72 -1.005160557e+00 -1.154823327e+00 -1.375594724e+00 3.74 -1.005920585e+00 -1.139431626e+00 -1.294813405e+00 3.76 -1.007960161e+00 -1.125970184e+00 -1.253203598e+00 3.78 -1.011047856e+00 -1.114269171e+00 -1.226350460e+00 3.80 -1.014958021e+00 -1.104159951e+00 -1.200391219e+00 3.82 -1.019472672e+00 -1.095019936e+00 -1.175117791e+00 3.84 -1.024380243e+00 -1.086406334e+00 -1.150329148e+00 3.86 -1.029453707e+00 -1.078223833e+00 -1.125997958e+00 3.88 -1.034472728e+00 -1.070458200e+00 -1.102221456e+00 3.90 -1.039243025e+00 -1.063091979e+00 -1.079115022e+00 3.92 -1.043575549e+00 -1.056102527e+00 -1.056812479e+00 3.94 -1.047283067e+00 -1.049462050e+00 -1.035469518e+00 3.96 -1.050178464e+00 -1.043137488e+00 -1.015263813e+00 3.98 -1.052099931e+00 -1.037090555e+00 -9.963787508e-01 4.00 -1.052923914e+00 -1.031277830e+00 -9.789108548e-01 4.02 -1.052525782e+00 -1.025650604e+00 -9.629008419e-01 4.04 -1.050776089e+00 -1.020155209e+00 -9.483698603e-01 4.06 -1.047539860e+00 -1.014732287e+00 -9.353230900e-01 4.08 -1.042675351e+00 -1.009316687e+00 -9.237550046e-01 4.10 -1.036033022e+00 -1.003843995e+00 -9.136541034e-01 4.12 -1.027532358e+00 -9.983113978e-01 -9.050055994e-01 4.14 -1.017214444e+00 -9.927457634e-01 -8.977839355e-01 4.16 -1.005145079e+00 -9.871375773e-01 -8.918962747e-01 4.18 -9.913931615e-01 -9.814692479e-01 -8.872125982e-01 4.20 -9.760227543e-01 -9.757344103e-01 -8.836298269e-01 4.22 -9.590938626e-01 -9.699403109e-01 -8.810976054e-01 4.24 -9.406959458e-01 -9.641096933e-01 -8.795646351e-01 4.26 -9.210410517e-01 -9.582825014e-01 -8.789775970e-01 4.28 -9.003839316e-01 -9.525169864e-01 -8.792858546e-01 4.30 -8.790018621e-01 -9.468898431e-01 -8.804447660e-01 4.32 -8.572009499e-01 -9.414948436e-01 -8.824180000e-01 4.34 -8.353224514e-01 -9.364388520e-01 -8.851775285e-01 4.36 -8.136714735e-01 -9.318203957e-01 -8.887018980e-01 4.38 -7.924189312e-01 -9.276438405e-01 -8.929653712e-01 4.40 -7.717361309e-01 -9.238623143e-01 -8.978233485e-01 4.42 -7.518170496e-01 -9.204097151e-01 -9.029350749e-01 4.44 -7.328746572e-01 -9.172018413e-01 -9.082214063e-01 4.46 -7.151237527e-01 -9.141268561e-01 -9.135859779e-01 4.48 -6.987912464e-01 -9.110639675e-01 -9.189295784e-01 4.50 -6.840817243e-01 -9.078926004e-01 -9.241557452e-01 4.52 -6.709101227e-01 -9.044955728e-01 -9.291717426e-01 4.54 -6.590198443e-01 -9.007599907e-01 -9.338879768e-01 4.56 -6.481187910e-01 -8.965773008e-01 -9.382182828e-01 4.58 -6.378856579e-01 -8.918411873e-01 -9.420789493e-01 4.60 -6.280118439e-01 -8.864455891e-01 -9.453890275e-01 4.62 -6.182809522e-01 -8.803074204e-01 -9.480692646e-01 4.64 -6.084855652e-01 -8.734365537e-01 -9.500414087e-01 4.66 -5.984074887e-01 -8.658603324e-01 -9.512280124e-01 4.68 -5.878164549e-01 -8.576028807e-01 -9.515512398e-01 4.70 -5.764679609e-01 -8.486875985e-01 -9.509322207e-01 4.72 -5.640984357e-01 -8.391384161e-01 -9.492900993e-01 4.74 -5.504193376e-01 -8.290072982e-01 -9.465777650e-01 4.76 -5.351228896e-01 -8.184209715e-01 -9.428438571e-01 4.78 -5.181585091e-01 -8.075254996e-01 -9.381511557e-01 4.80 -4.997669255e-01 -7.964744961e-01 -9.325606670e-01 4.82 -4.802208317e-01 -7.854278876e-01 -9.261325856e-01 4.84 -4.597973982e-01 -7.745486101e-01 -9.189267419e-01 4.86 -4.386853219e-01 -7.639975192e-01 -9.110029734e-01 4.88 -4.170729703e-01 -7.538606412e-01 -9.024218805e-01 4.90 -3.951937599e-01 -7.440629393e-01 -8.932450823e-01 4.92 -3.733453195e-01 -7.345092808e-01 -8.835354666e-01 4.94 -3.519144851e-01 -7.251134220e-01 -8.733578911e-01 4.96 -3.314075562e-01 -7.158033196e-01 -8.627795699e-01 4.98 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