# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Devanathan-R-Diaz-de-la-Rubia-T-Weber-W-J--Si-C # implementation = 1998--Devanathan-R--Si-C--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 3.723425156e+03 nan nan nan nan 0.58 nan nan nan nan nan 3.321059973e+03 nan nan 3.740501948e+03 nan 0.60 nan nan nan nan nan 2.977934540e+03 nan nan 3.327933960e+03 nan 0.62 nan nan nan nan nan 2.684115908e+03 nan nan 2.973829746e+03 nan 0.64 nan 3.650096714e+03 nan nan nan 2.405575753e+03 nan nan 2.662594100e+03 nan 0.66 nan 3.238662631e+03 nan nan nan 2.138728546e+03 3.344198485e+03 nan 2.393041193e+03 3.317681695e+03 0.68 nan 2.884718546e+03 nan nan nan 1.900720720e+03 3.011227627e+03 nan 2.162292446e+03 2.988187989e+03 0.70 nan 2.581145951e+03 3.588597783e+03 nan nan 1.698252343e+03 2.710084812e+03 nan 1.956118485e+03 2.700737647e+03 0.72 3.622630841e+03 2.318046773e+03 3.224332521e+03 3.622329962e+03 3.622795210e+03 1.522702201e+03 2.443626210e+03 3.363976882e+03 1.767236534e+03 2.458548039e+03 0.74 3.268009598e+03 2.099318848e+03 2.908592801e+03 3.262141095e+03 3.258809018e+03 1.369508622e+03 2.217735394e+03 3.033469562e+03 1.598039283e+03 2.244153744e+03 0.76 2.955272652e+03 1.912996549e+03 2.627933109e+03 2.945286940e+03 2.940916771e+03 1.229183294e+03 2.023563391e+03 2.736491396e+03 1.449243447e+03 2.038041274e+03 0.78 2.671108806e+03 1.752099775e+03 2.386064505e+03 2.666435985e+03 2.663653795e+03 1.100903725e+03 1.848527058e+03 2.470297798e+03 1.315608880e+03 1.844153497e+03 0.80 2.412917283e+03 1.612516860e+03 2.179190939e+03 2.418685133e+03 2.419104185e+03 9.897517904e+02 1.688527602e+03 2.236260819e+03 1.195786722e+03 1.674191362e+03 0.82 2.188169857e+03 1.493541625e+03 1.988718639e+03 2.198285825e+03 2.200752919e+03 8.916285288e+02 1.542721545e+03 2.035981367e+03 1.086962177e+03 1.529562199e+03 0.84 2.001099707e+03 1.386544448e+03 1.818890072e+03 2.006501780e+03 2.009563217e+03 8.053663659e+02 1.414806436e+03 1.866322721e+03 9.900372742e+02 1.400287208e+03 0.86 1.841130536e+03 1.288669307e+03 1.674006212e+03 1.841381820e+03 1.844657565e+03 7.284509893e+02 1.305455945e+03 1.721751823e+03 9.039177137e+02 1.283561690e+03 0.88 1.702440200e+03 1.203562294e+03 1.559478597e+03 1.699973487e+03 1.702987234e+03 6.648914700e+02 1.211119761e+03 1.596978608e+03 8.267982032e+02 1.177299075e+03 0.90 1.582841461e+03 1.127496762e+03 1.463485820e+03 1.578156356e+03 1.578530002e+03 6.127574821e+02 1.122788272e+03 1.489233532e+03 7.585792845e+02 1.083518852e+03 0.92 1.478122129e+03 1.052476831e+03 1.375396854e+03 1.472679065e+03 1.469567430e+03 5.674614673e+02 1.040173716e+03 1.392738894e+03 6.988834748e+02 1.000267855e+03 0.94 1.382852083e+03 9.784960020e+02 1.290602709e+03 1.380955749e+03 1.376040544e+03 5.257260181e+02 9.641117782e+02 1.306401527e+03 6.473781876e+02 9.234437959e+02 0.96 1.299317999e+03 9.096993938e+02 1.210432776e+03 1.300278009e+03 1.295865428e+03 4.871637392e+02 8.933177897e+02 1.230978558e+03 6.005270673e+02 8.560996688e+02 0.98 1.224871352e+03 8.472962558e+02 1.133998114e+03 1.227415677e+03 1.225279655e+03 4.493239606e+02 8.272830003e+02 1.163568879e+03 5.571486475e+02 7.948873736e+02 1.00 1.160391068e+03 7.886440418e+02 1.063574433e+03 1.161372770e+03 1.160873222e+03 4.132106654e+02 7.662712502e+02 1.101341267e+03 5.178721580e+02 7.416180599e+02 1.02 1.102114116e+03 7.295291751e+02 9.987128066e+02 1.100130587e+03 1.100660816e+03 3.796783751e+02 7.116569371e+02 1.038523484e+03 4.817156460e+02 6.944718043e+02 1.04 1.041237121e+03 6.697272019e+02 9.382498271e+02 1.039088093e+03 1.040933852e+03 3.495246293e+02 6.637113617e+02 9.714296617e+02 4.460561901e+02 6.506981792e+02 1.06 9.750286793e+02 6.133105372e+02 8.826347210e+02 9.755424066e+02 9.788687547e+02 3.253666979e+02 6.210649879e+02 9.033071158e+02 4.105534984e+02 6.110658364e+02 1.08 9.072388945e+02 5.629336679e+02 8.270334472e+02 9.107259806e+02 9.147394197e+02 3.051342160e+02 5.802432714e+02 8.387263087e+02 3.759138394e+02 5.744080506e+02 1.10 8.420340060e+02 5.201275294e+02 7.675807571e+02 8.475358210e+02 8.515411736e+02 2.838652210e+02 5.402008554e+02 7.807672607e+02 3.442449527e+02 5.392557950e+02 1.12 7.837182801e+02 4.842701562e+02 7.069289123e+02 7.892826342e+02 7.924768808e+02 2.618749885e+02 5.016222401e+02 7.293345341e+02 3.168106717e+02 5.039763706e+02 1.14 7.346724921e+02 4.516105406e+02 6.491539415e+02 7.375241516e+02 7.392612141e+02 2.402739715e+02 4.652933519e+02 6.828367656e+02 2.918287628e+02 4.669620288e+02 1.16 6.891412438e+02 4.209093188e+02 5.986347299e+02 6.891157416e+02 6.892812792e+02 2.202669552e+02 4.322349922e+02 6.384531060e+02 2.678703090e+02 4.299427485e+02 1.18 6.456018989e+02 3.913790576e+02 5.565827546e+02 6.434419427e+02 6.419159136e+02 2.027896818e+02 4.027658827e+02 5.958425845e+02 2.445468038e+02 3.947799402e+02 1.20 6.048511629e+02 3.620401556e+02 5.201161096e+02 6.010574696e+02 5.975277414e+02 1.875223617e+02 3.751937893e+02 5.559883824e+02 2.221420989e+02 3.632793994e+02 1.22 5.665789108e+02 3.326969682e+02 4.858226617e+02 5.614606061e+02 5.563519065e+02 1.729246194e+02 3.484817156e+02 5.179924726e+02 2.017497290e+02 3.360841934e+02 1.24 5.280652453e+02 3.037778739e+02 4.532492787e+02 5.228187410e+02 5.175722996e+02 1.589653422e+02 3.228114861e+02 4.804562831e+02 1.837727381e+02 3.100998007e+02 1.26 4.893562876e+02 2.764938118e+02 4.228411496e+02 4.854211213e+02 4.814859808e+02 1.460765994e+02 2.975558088e+02 4.445561686e+02 1.674258949e+02 2.833900475e+02 1.28 4.518326531e+02 2.521553909e+02 3.949153119e+02 4.499117069e+02 4.479907533e+02 1.346254227e+02 2.728303160e+02 4.114229660e+02 1.525098185e+02 2.570552246e+02 1.30 4.169653101e+02 2.313714936e+02 3.695801794e+02 4.168865705e+02 4.168078144e+02 1.248035360e+02 2.491978388e+02 3.811387195e+02 1.391617952e+02 2.324614159e+02 1.32 3.861588046e+02 2.140546190e+02 3.462335842e+02 3.873758077e+02 3.885928066e+02 1.160662413e+02 2.261547231e+02 3.541304332e+02 1.270997728e+02 2.111997981e+02 1.34 3.603878284e+02 1.988761749e+02 3.243549239e+02 3.620410965e+02 3.636943699e+02 1.079316753e+02 2.038576642e+02 3.299697152e+02 1.166181885e+02 1.947166783e+02 1.36 3.380289606e+02 1.851085319e+02 3.037398555e+02 3.396226744e+02 3.412163926e+02 1.003619785e+02 1.835145454e+02 3.073883894e+02 1.077397453e+02 1.815422511e+02 1.38 3.157737360e+02 1.716930607e+02 2.836816295e+02 3.176400018e+02 3.195062733e+02 9.332028536e+01 1.660252603e+02 2.854073379e+02 9.980746761e+01 1.685485013e+02 1.40 2.937837181e+02 1.586880123e+02 2.642715782e+02 2.962001955e+02 2.986166824e+02 8.677115830e+01 1.510892987e+02 2.644299402e+02 9.242566677e+01 1.557941146e+02 1.42 2.725193061e+02 1.462889782e+02 2.454628051e+02 2.755499462e+02 2.785806013e+02 8.055296917e+01 1.384156052e+02 2.449346727e+02 8.535381747e+01 1.435137485e+02 1.44 2.524673655e+02 1.347002992e+02 2.258418514e+02 2.555788710e+02 2.586903958e+02 7.396216103e+01 1.277770246e+02 2.273376747e+02 7.852847701e+01 1.319663996e+02 1.46 2.340966477e+02 1.237102070e+02 2.058472202e+02 2.366853426e+02 2.392740584e+02 6.710727054e+01 1.178556546e+02 2.118733399e+02 7.194776015e+01 1.214078140e+02 1.48 2.177843422e+02 1.128684870e+02 1.862649740e+02 2.193252490e+02 2.208661740e+02 6.024676606e+01 1.084173333e+02 1.979577862e+02 6.570141745e+01 1.120440971e+02 1.50 2.037089087e+02 1.024853439e+02 1.679329390e+02 2.038456309e+02 2.039823634e+02 5.364568433e+01 9.962187914e+01 1.853021099e+02 5.989670287e+01 1.039701284e+02 1.52 1.911409726e+02 9.223884888e+01 1.513204609e+02 1.899369553e+02 1.887329380e+02 4.759746929e+01 9.161665174e+01 1.731969466e+02 5.453194553e+01 9.678168741e+01 1.54 1.793400763e+02 8.195945504e+01 1.369281362e+02 1.772327985e+02 1.751255127e+02 4.243622524e+01 8.450518000e+01 1.612413124e+02 4.956621761e+01 9.006720404e+01 1.56 1.682555753e+02 7.206279012e+01 1.256835831e+02 1.658069832e+02 1.633583795e+02 3.846650914e+01 7.830278871e+01 1.491264082e+02 4.505461478e+01 8.379477516e+01 1.58 1.567839653e+02 6.301742069e+01 1.173333429e+02 1.545559601e+02 1.523279468e+02 3.556123806e+01 7.265155733e+01 1.363503940e+02 4.087220080e+01 7.758857199e+01 1.60 1.443498034e+02 5.544363341e+01 1.096553645e+02 1.425230671e+02 1.406963303e+02 3.291096558e+01 6.737548124e+01 1.233236351e+02 3.703698253e+01 7.125038143e+01 1.62 1.313667769e+02 4.934399669e+01 1.024485886e+02 1.300505538e+02 1.287343379e+02 3.044124131e+01 6.245040745e+01 1.104765758e+02 3.354142054e+01 6.491938756e+01 1.64 1.182364034e+02 4.392344788e+01 9.568468096e+01 1.175132951e+02 1.167901984e+02 2.813992275e+01 5.785370894e+01 9.829544069e+01 3.042589031e+01 5.874754737e+01 1.66 1.053670598e+02 3.934701594e+01 8.928595575e+01 1.052960966e+02 1.052251434e+02 2.596583137e+01 5.350738694e+01 8.740337054e+01 2.771010899e+01 5.289847095e+01 1.68 9.326103859e+01 3.552772530e+01 8.260355498e+01 9.380373298e+01 9.434643105e+01 2.354777916e+01 4.922296217e+01 7.825927231e+01 2.517102376e+01 4.754604489e+01 1.70 8.263087416e+01 3.206747156e+01 7.557662914e+01 8.363193285e+01 8.463298802e+01 2.085883442e+01 4.503031736e+01 7.088227746e+01 2.259571838e+01 4.286045319e+01 1.72 7.435971014e+01 2.900196825e+01 6.837869388e+01 7.550703668e+01 7.665435526e+01 1.798373662e+01 4.098460292e+01 6.552428594e+01 2.003115910e+01 3.897127440e+01 1.74 6.885048982e+01 2.633390666e+01 6.119185475e+01 6.975846874e+01 7.066644007e+01 1.497032130e+01 3.714507947e+01 6.093201891e+01 1.754465896e+01 3.586949743e+01 1.76 6.414302451e+01 2.389014449e+01 5.421973706e+01 6.474819353e+01 6.535335682e+01 1.182787162e+01 3.357190478e+01 5.662143586e+01 1.520199622e+01 3.307936508e+01 1.78 5.971825608e+01 2.161902579e+01 4.771133625e+01 6.006174908e+01 6.040523844e+01 8.559528540e+00 3.032127713e+01 5.257618814e+01 1.306766973e+01 3.047632931e+01 1.80 5.556010056e+01 1.950955733e+01 4.197338259e+01 5.570688865e+01 5.585367504e+01 5.263683759e+00 2.743754822e+01 4.878085346e+01 1.120358339e+01 2.804847531e+01 1.82 5.165336761e+01 1.755141064e+01 3.732754922e+01 5.168422467e+01 5.171508135e+01 2.360580568e+00 2.494296201e+01 4.515792260e+01 9.617681906e+00 2.578463441e+01 1.84 4.798371189e+01 1.573488297e+01 3.397330330e+01 4.798369447e+01 4.798367705e+01 9.091478998e-01 2.280275828e+01 4.164815338e+01 8.195927161e+00 2.367433774e+01 1.86 4.453758675e+01 1.405086059e+01 3.122482318e+01 4.453757262e+01 4.453755850e+01 3.306071442e-01 2.075570237e+01 3.826819540e+01 6.840379249e+00 2.170777261e+01 1.88 4.130220045e+01 1.249078411e+01 2.865244218e+01 4.130218938e+01 4.130217831e+01 -2.017365918e-01 1.858671282e+01 3.503852699e+01 5.447510086e+00 1.987574160e+01 1.90 3.826547452e+01 1.104661583e+01 2.624588389e+01 3.826546628e+01 3.826545803e+01 -6.907386353e-01 1.634248889e+01 3.198169948e+01 4.047149636e+00 1.816962414e+01 1.92 3.537293939e+01 9.710808923e+00 2.399544399e+01 3.537293543e+01 3.537293147e+01 -1.139095023e+00 1.408044665e+01 2.909223425e+01 2.669444591e+00 1.652934043e+01 1.94 3.241410962e+01 8.476278455e+00 2.189195922e+01 3.241411873e+01 3.241412784e+01 -1.549350928e+00 1.185515875e+01 2.625675550e+01 1.354259626e+00 1.471292462e+01 1.96 2.940059702e+01 7.336374039e+00 1.992677816e+01 2.940062503e+01 2.940065304e+01 -1.923908656e+00 9.720769964e+00 2.350033812e+01 1.638507554e-01 1.275284763e+01 1.98 2.638032580e+01 6.284854086e+00 1.809173334e+01 2.638037319e+01 2.638042057e+01 -2.265035231e+00 7.736980947e+00 2.086998983e+01 -8.104936260e-01 1.071527230e+01 2.00 2.340457952e+01 5.315861550e+00 1.637911500e+01 2.340464166e+01 2.340470380e+01 -2.574869591e+00 5.974875989e+00 1.841172908e+01 -1.467642272e+00 8.652486235e+00 2.02 2.052958184e+01 4.423901084e+00 1.478164614e+01 2.052965061e+01 2.052971938e+01 -2.855429416e+00 4.514449813e+00 1.611435367e+01 -1.814466958e+00 6.601170459e+00 2.04 1.781844012e+01 3.603817518e+00 1.329245897e+01 1.781850647e+01 1.781857282e+01 -3.108617599e+00 3.424858919e+00 1.396559865e+01 -2.102872945e+00 4.590723477e+00 2.06 1.534096146e+01 2.850775593e+00 1.190507256e+01 1.534101827e+01 1.534107508e+01 -3.336228390e+00 2.693519117e+00 1.200813198e+01 -2.362554645e+00 2.666620634e+00 2.08 1.316810631e+01 2.160240880e+00 1.061337169e+01 1.316815061e+01 1.316819491e+01 -3.539953214e+00 2.062178793e+00 1.028120022e+01 -2.595514035e+00 9.288539150e-01 2.10 1.135906635e+01 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