# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1994--Nakano-A-Kalia-R-K-Vashishta-P--Si-O # implementation = 1994--Nakano-A--Si-O--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 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 nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan 6.851942027e+02 nan nan nan nan 0.86 nan nan nan nan nan 6.344623561e+02 nan nan nan nan 0.88 nan nan nan nan nan 5.886808526e+02 nan nan 6.783324512e+02 nan 0.90 nan nan nan nan nan 5.472034316e+02 nan nan 6.309984418e+02 nan 0.92 nan nan nan nan nan 5.095697122e+02 nan nan 5.879520029e+02 nan 0.94 nan nan nan nan nan 4.753895937e+02 nan nan 5.487121725e+02 nan 0.96 nan 6.943021451e+02 nan nan nan 4.441670455e+02 nan nan 5.128628747e+02 nan 0.98 nan 6.501700325e+02 nan nan nan 4.155512071e+02 6.612177300e+02 nan 4.800016204e+02 6.523347614e+02 1.00 nan 6.096189257e+02 nan nan nan 3.892610301e+02 6.199014804e+02 nan 4.497907914e+02 6.114623015e+02 1.02 nan 5.722819299e+02 nan nan nan 3.650819826e+02 5.818518870e+02 nan 4.219673602e+02 5.739390063e+02 1.04 nan 5.378422497e+02 nan nan nan 3.428004313e+02 5.467814558e+02 nan 3.963087753e+02 5.393702257e+02 1.06 nan 5.060366957e+02 6.681559049e+02 nan nan 3.222502268e+02 5.144038934e+02 6.868461352e+02 3.726039246e+02 5.074553158e+02 1.08 6.888931081e+02 4.765934342e+02 6.295524044e+02 6.888795547e+02 6.888717943e+02 3.032425365e+02 4.844724085e+02 6.472147039e+02 3.506873532e+02 4.779807267e+02 1.10 6.498596896e+02 4.493363597e+02 5.938084674e+02 6.497832426e+02 6.497606927e+02 2.856393772e+02 4.567740116e+02 6.104834043e+02 3.303982988e+02 4.506673254e+02 1.12 6.136212929e+02 4.240409491e+02 5.606456188e+02 6.135187764e+02 6.134921055e+02 2.693229457e+02 4.311211755e+02 5.763628596e+02 3.115933717e+02 4.252788252e+02 1.14 5.799112204e+02 4.005370808e+02 5.298089315e+02 5.798596736e+02 5.798436074e+02 2.541571336e+02 4.072885619e+02 5.446437734e+02 2.941412237e+02 4.016496023e+02 1.16 5.485506146e+02 3.786448060e+02 5.011145147e+02 5.485613588e+02 5.485577242e+02 2.400285655e+02 3.850807029e+02 5.151480219e+02 2.779176880e+02 3.796476647e+02 1.18 5.193311606e+02 3.582487498e+02 4.743582462e+02 5.193933167e+02 5.194093950e+02 2.268708393e+02 3.643483077e+02 4.876869880e+02 2.628124651e+02 3.591787711e+02 1.20 4.920940369e+02 3.392529517e+02 4.493731033e+02 4.921761589e+02 4.922094333e+02 2.146140607e+02 3.449976791e+02 4.620764558e+02 2.487352762e+02 3.401243110e+02 1.22 4.666778448e+02 3.215138393e+02 4.260548275e+02 4.667521160e+02 4.667867775e+02 2.032010810e+02 3.269292730e+02 4.381781408e+02 2.356027740e+02 3.223542548e+02 1.24 4.429345898e+02 3.049415388e+02 4.043144138e+02 4.429789766e+02 4.430014199e+02 1.925861378e+02 3.100499102e+02 4.158550044e+02 2.233280791e+02 3.057495177e+02 1.26 4.207451347e+02 2.894362086e+02 3.840071868e+02 4.207420346e+02 4.207475484e+02 1.826965046e+02 2.942673852e+02 3.949867911e+02 2.118411309e+02 2.902176929e+02 1.28 3.999734440e+02 2.748900084e+02 3.649905765e+02 3.999267904e+02 3.999180841e+02 1.734579646e+02 2.794831900e+02 3.754336439e+02 2.010601074e+02 2.756822734e+02 1.30 3.804763726e+02 2.612396448e+02 3.471412365e+02 3.804156411e+02 3.803968357e+02 1.647788718e+02 2.656312299e+02 3.570826149e+02 1.909329771e+02 2.620690955e+02 1.32 3.621591901e+02 2.484412210e+02 3.303854463e+02 3.621034528e+02 3.620764024e+02 1.566151199e+02 2.526543042e+02 3.398451739e+02 1.814231843e+02 2.492947487e+02 1.34 3.449455970e+02 2.364282661e+02 3.146503145e+02 3.448915844e+02 3.448584865e+02 1.489404108e+02 2.404814185e+02 3.236312320e+02 1.724923786e+02 2.372962162e+02 1.36 3.287305510e+02 2.251206479e+02 2.998141465e+02 3.286915778e+02 3.286611503e+02 1.417052913e+02 2.290543218e+02 3.083654815e+02 1.641006014e+02 2.259840669e+02 1.38 3.134493943e+02 2.144803818e+02 2.858171703e+02 3.134368840e+02 3.134196552e+02 1.348802004e+02 2.183015350e+02 2.939799430e+02 1.562203538e+02 2.153085386e+02 1.40 2.990474610e+02 2.044708045e+02 2.726131839e+02 2.990663321e+02 2.990699555e+02 1.284384697e+02 2.081575730e+02 2.804266289e+02 1.488061008e+02 2.052346988e+02 1.42 2.854803952e+02 1.950356452e+02 2.601634246e+02 2.855198599e+02 2.855387895e+02 1.223597119e+02 1.985698000e+02 2.676625722e+02 1.418167594e+02 1.957332038e+02 1.44 2.726784568e+02 1.861189126e+02 2.484339727e+02 2.727350256e+02 2.727659898e+02 1.166279233e+02 1.895073817e+02 2.556225962e+02 1.352284228e+02 1.867788102e+02 1.46 2.605754016e+02 1.776959835e+02 2.373701902e+02 2.606494765e+02 2.606881733e+02 1.112269594e+02 1.809436839e+02 2.442605405e+02 1.290171314e+02 1.783477097e+02 1.48 2.491412309e+02 1.697457521e+02 2.269101506e+02 2.492196830e+02 2.492594150e+02 1.061311188e+02 1.728558863e+02 2.335387694e+02 1.231586543e+02 1.704095455e+02 1.50 2.383476108e+02 1.622479064e+02 2.170220368e+02 2.384134746e+02 2.384478395e+02 1.013243445e+02 1.652083688e+02 2.234137337e+02 1.176238536e+02 1.628974285e+02 1.52 2.281677537e+02 1.551625793e+02 2.076749848e+02 2.281937812e+02 2.282166566e+02 9.678756211e+01 1.579740228e+02 2.138437191e+02 1.123918956e+02 1.557861505e+02 1.54 2.185533580e+02 1.484441325e+02 1.988258849e+02 2.185257592e+02 2.185332000e+02 9.248881904e+01 1.511295319e+02 2.047843342e+02 1.074494187e+02 1.490515822e+02 1.56 2.094219352e+02 1.420695367e+02 1.904531189e+02 2.093621959e+02 2.093553810e+02 8.841706433e+01 1.446491536e+02 1.961850917e+02 1.027734323e+02 1.426586193e+02 1.58 2.007510637e+02 1.360248009e+02 1.825375762e+02 2.006782775e+02 2.006585957e+02 8.456320415e+01 1.385111069e+02 1.880251126e+02 9.834296762e+01 1.365925730e+02 1.60 1.925175071e+02 1.302952260e+02 1.750548399e+02 1.924428858e+02 1.924129269e+02 8.091861053e+01 1.326955984e+02 1.802736742e+02 9.414400253e+01 1.308388510e+02 1.62 1.846848149e+02 1.248620560e+02 1.679575508e+02 1.846258568e+02 1.845921756e+02 7.747199742e+01 1.271687055e+02 1.729118129e+02 9.016301789e+01 1.253788009e+02 1.64 1.772356195e+02 1.197079887e+02 1.611900133e+02 1.771953672e+02 1.771599354e+02 7.419650307e+01 1.219076633e+02 1.659141282e+02 8.637882637e+01 1.202004547e+02 1.66 1.701552339e+02 1.148055125e+02 1.547330984e+02 1.701296991e+02 1.700935935e+02 7.108230582e+01 1.169023737e+02 1.592560917e+02 8.277776666e+01 1.152929828e+02 1.68 1.634157520e+02 1.101326187e+02 1.485751642e+02 1.634049075e+02 1.633709153e+02 6.812334014e+01 1.121432285e+02 1.529162604e+02 7.935284771e+01 1.106321476e+02 1.70 1.569944556e+02 1.056782895e+02 1.427013560e+02 1.570014135e+02 1.569734691e+02 6.531005967e+01 1.076210804e+02 1.468794683e+02 7.609632155e+01 1.061987218e+02 1.72 1.508796650e+02 1.014345183e+02 1.370935508e+02 1.509049582e+02 1.508868439e+02 6.262939808e+01 1.033262817e+02 1.411345475e+02 7.299535127e+01 1.019843498e+02 1.74 1.450602331e+02 9.739367235e+01 1.317418852e+02 1.450958478e+02 1.450912012e+02 6.007631201e+01 9.924395011e+01 1.356664052e+02 7.003692636e+01 9.798105222e+01 1.76 1.395136952e+02 9.354847128e+01 1.266371836e+02 1.395561557e+02 1.395684763e+02 5.764622267e+01 9.536134826e+01 1.304542108e+02 6.721251276e+01 9.416938455e+01 1.78 1.342202483e+02 8.989196699e+01 1.217706900e+02 1.342696353e+02 1.343006602e+02 5.533476065e+01 9.167073451e+01 1.254821206e+02 6.451355897e+01 9.053242503e+01 1.80 1.291710172e+02 8.641273825e+01 1.171340444e+02 1.292194696e+02 1.292629324e+02 5.313775413e+01 8.815617001e+01 1.207377295e+02 6.193547113e+01 8.706404909e+01 1.82 1.243575240e+02 8.309325159e+01 1.127192604e+02 1.243964081e+02 1.244452102e+02 5.105121782e+01 8.480382682e+01 1.162101295e+02 5.947406351e+01 8.375840585e+01 1.84 1.197699926e+02 7.992351937e+01 1.085172176e+02 1.197918227e+02 1.198393999e+02 4.907059903e+01 8.160748871e+01 1.118887634e+02 5.712533503e+01 8.060850854e+01 1.86 1.153792401e+02 7.689354071e+01 1.045015636e+02 1.153875457e+02 1.154311500e+02 4.718272888e+01 7.855752015e+01 1.077533906e+02 5.488315356e+01 7.759114706e+01 1.88 1.111721340e+02 7.399726581e+01 1.006602309e+02 1.111735893e+02 1.112116590e+02 4.538158060e+01 7.564386770e+01 1.037958836e+02 5.274133632e+01 7.469643834e+01 1.90 1.071425881e+02 7.123025429e+01 9.698743225e+01 1.071436352e+02 1.071746636e+02 4.366426731e+01 7.285837531e+01 1.000103401e+02 5.069652814e+01 7.192032571e+01 1.92 1.032847739e+02 6.858825336e+01 9.347762514e+01 1.032891177e+02 1.033116506e+02 4.202802433e+01 7.019158229e+01 9.639110737e+01 4.874285728e+01 6.925892382e+01 1.94 9.959310672e+01 6.606718812e+01 9.012549916e+01 9.959797871e+01 9.961061209e+01 4.047020279e+01 6.763515059e+01 9.293276954e+01 4.687542859e+01 6.670850980e+01 1.96 9.606090725e+01 6.366050001e+01 8.692065922e+01 9.606398315e+01 9.606602433e+01 3.898295890e+01 6.517865832e+01 8.962925090e+01 4.509146129e+01 6.426286241e+01 1.98 9.268011966e+01 6.135859848e+01 8.384653477e+01 9.268063645e+01 9.267290001e+01 3.755216882e+01 6.281763829e+01 8.647362473e+01 4.338828857e+01 6.191271452e+01 2.00 8.944584797e+01 5.915794765e+01 8.089855879e+01 8.944312411e+01 8.942645433e+01 3.617561289e+01 6.054909090e+01 8.346113414e+01 4.176335184e+01 5.965484039e+01 2.02 8.635350428e+01 5.705395192e+01 7.807279270e+01 8.634688081e+01 8.632209485e+01 3.485160551e+01 5.837009985e+01 8.058170270e+01 4.021419534e+01 5.748636624e+01 2.04 8.339868337e+01 5.503747897e+01 7.536545452e+01 8.338711006e+01 8.335499909e+01 3.357852800e+01 5.627615567e+01 7.782567516e+01 3.873796521e+01 5.540453239e+01 2.06 8.057715377e+01 5.310059851e+01 7.277291124e+01 8.055659263e+01 8.051792279e+01 3.235482532e+01 5.426371043e+01 7.518522505e+01 3.732937932e+01 5.340668779e+01 2.08 7.788479331e+01 5.123355854e+01 7.029167161e+01 7.785075046e+01 7.780627092e+01 3.117900301e+01 5.233029685e+01 7.264889202e+01 3.598233479e+01 5.149028467e+01 2.10 7.530044686e+01 4.943416948e+01 6.791837933e+01 7.525503904e+01 7.520763167e+01 3.004962425e+01 5.047354282e+01 7.020567873e+01 3.469066064e+01 4.965287364e+01 2.12 7.280733291e+01 4.770042821e+01 6.564980664e+01 7.275769802e+01 7.271185033e+01 2.896530718e+01 4.869116693e+01 6.785164546e+01 3.345269435e+01 4.789209902e+01 2.14 7.040277703e+01 4.603040732e+01 6.348104304e+01 7.035538089e+01 7.031499006e+01 2.792472227e+01 4.698094426e+01 6.558417313e+01 3.226586136e+01 4.620569441e+01 2.16 6.808420502e+01 4.442225160e+01 6.139812712e+01 6.804255789e+01 6.800864411e+01 2.692658987e+01 4.533921995e+01 6.340074089e+01 3.112609291e+01 4.459147856e+01 2.18 6.584913828e+01 4.287417473e+01 5.939669983e+01 6.581617561e+01 6.578925990e+01 2.596967798e+01 4.376285519e+01 6.129892152e+01 3.003189049e+01 4.304735141e+01 2.20 6.369518946e+01 4.138445613e+01 5.747070913e+01 6.367282970e+01 6.365341700e+01 2.505094383e+01 4.224654054e+01 5.927637720e+01 2.898194460e+01 4.157129044e+01 2.22 6.162005828e+01 3.995143796e+01 5.560826705e+01 6.160772587e+01 6.159630564e+01 2.416442733e+01 4.078757903e+01 5.732854528e+01 2.797499356e+01 4.016134707e+01 2.24 5.962152769e+01 3.857352234e+01 5.380707875e+01 5.961853406e+01 5.961558084e+01 2.330896557e+01 3.938435478e+01 5.545103589e+01 2.700982139e+01 3.881564344e+01 2.26 5.769626932e+01 3.724916870e+01 5.206544608e+01 5.770224330e+01 5.770821728e+01 2.248369457e+01 3.803530984e+01 5.364188905e+01 2.608480729e+01 3.752879687e+01 2.28 5.583918908e+01 3.597689121e+01 5.038173114e+01 5.585453661e+01 5.586988414e+01 2.168778100e+01 3.673894163e+01 5.189921442e+01 2.519636134e+01 3.628996410e+01 2.30 5.404826299e+01 3.475525641e+01 4.875435360e+01 5.407341709e+01 5.409857120e+01 2.092042088e+01 3.549380057e+01 5.022118825e+01 2.434203504e+01 3.509735589e+01 2.32 5.232169373e+01 3.358288097e+01 4.718178824e+01 5.235671535e+01 5.239173697e+01 2.018083827e+01 3.429848772e+01 4.860605050e+01 2.351881589e+01 3.394971351e+01 2.34 5.065774618e+01 3.245842951e+01 4.566256258e+01 5.070034890e+01 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