# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Bere-A-Serra-A--Ga-N # implementation = SW_BereSerra_2006_GaN__MO_861114678890_000 # composition = Ga # 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 1.328346587e+04 nan nan nan nan 0.62 nan nan nan nan nan 1.090027589e+04 nan nan 1.424956910e+04 nan 0.64 nan nan nan nan nan 8.989762638e+03 nan nan 1.178455449e+04 nan 0.66 nan nan nan nan nan 7.457940235e+03 nan nan 9.807141187e+03 nan 0.68 nan nan nan nan nan 6.235537563e+03 nan nan 8.204305251e+03 nan 0.70 nan 1.218729341e+04 nan nan nan 5.255460654e+03 1.254659122e+04 nan 6.890384048e+03 1.224614450e+04 0.72 nan 1.028094057e+04 nan nan nan 4.453730480e+03 1.058891161e+04 nan 5.803851745e+03 1.035238577e+04 0.74 nan 8.709534721e+03 nan nan nan 3.783627205e+03 8.986804539e+03 nan 4.903811260e+03 8.786264562e+03 0.76 nan 7.409022914e+03 1.256205426e+04 nan nan 3.218409475e+03 7.662894246e+03 1.321684313e+04 4.159508415e+03 7.477083487e+03 0.78 1.271337007e+04 6.326857609e+03 1.072135085e+04 1.272530728e+04 1.273027267e+04 2.741315995e+03 6.554532423e+03 1.128576363e+04 3.543159851e+03 6.378828489e+03 0.80 1.090067263e+04 5.422405407e+03 9.183557995e+03 1.091766830e+04 1.092710529e+04 2.340173450e+03 5.618894289e+03 9.678925807e+03 3.030807486e+03 5.460845402e+03 0.82 9.386331701e+03 4.663791587e+03 7.900003486e+03 9.398608615e+03 9.407018197e+03 2.004036708e+03 4.828670076e+03 8.338679825e+03 2.603630900e+03 4.694039029e+03 0.84 8.118590209e+03 4.025820575e+03 6.826015150e+03 8.119555280e+03 8.123051165e+03 1.721927976e+03 4.161867387e+03 7.214245898e+03 2.246374938e+03 4.048821594e+03 0.86 7.050365151e+03 3.486000724e+03 5.924906296e+03 7.040576194e+03 7.038194631e+03 1.484016805e+03 3.598001074e+03 6.262645799e+03 1.946105882e+03 3.501265169e+03 0.88 6.139737064e+03 3.026248657e+03 5.164599416e+03 6.126376527e+03 6.119799167e+03 1.282535279e+03 3.119202517e+03 5.450251605e+03 1.692046920e+03 3.035560233e+03 0.90 5.357295637e+03 2.633411775e+03 4.515531691e+03 5.347360977e+03 5.339436714e+03 1.111361117e+03 2.710694806e+03 4.753155825e+03 1.475245192e+03 2.640267282e+03 0.92 4.683584095e+03 2.296330263e+03 3.953040557e+03 4.679706801e+03 4.673105700e+03 9.651601056e+02 2.361242818e+03 4.153484908e+03 1.288649983e+03 2.305348519e+03 0.94 4.103027565e+03 2.005730248e+03 3.461551078e+03 4.104605799e+03 4.101207549e+03 8.397419486e+02 2.062928825e+03 3.636631332e+03 1.126881060e+03 2.021084227e+03 0.96 3.602189948e+03 1.755052169e+03 3.032879354e+03 3.607325452e+03 3.608008570e+03 7.322369685e+02 1.809193189e+03 3.190577708e+03 9.858648878e+02 1.778540540e+03 0.98 3.169429284e+03 1.539394150e+03 2.660943398e+03 3.175846743e+03 3.180221061e+03 6.404512690e+02 1.593281816e+03 2.805004404e+03 8.624154355e+02 1.570135012e+03 1.00 2.794525553e+03 1.353979333e+03 2.339698220e+03 2.800254173e+03 2.806734336e+03 5.624503961e+02 1.408583360e+03 2.470804060e+03 7.542162480e+02 1.389464197e+03 1.02 2.468654056e+03 1.194091834e+03 2.062606319e+03 2.472643064e+03 2.479172167e+03 4.962553800e+02 1.249241275e+03 2.180509064e+03 6.596328350e+02 1.231237314e+03 1.04 2.184512534e+03 1.055753673e+03 1.822982436e+03 2.186727697e+03 2.191707373e+03 4.398226412e+02 1.110372225e+03 1.928250376e+03 5.772733995e+02 1.091275735e+03 1.06 1.936365127e+03 9.359319982e+02 1.614989106e+03 1.937317204e+03 1.939981572e+03 3.912726719e+02 9.880562173e+02 1.709341638e+03 5.058115344e+02 9.664565416e+02 1.08 1.720136107e+03 8.320358682e+02 1.434152615e+03 1.720078138e+03 1.720286074e+03 3.490429811e+02 8.792471646e+02 1.519846154e+03 4.440288015e+02 8.548130589e+02 1.10 1.532436575e+03 7.415060127e+02 1.276873547e+03 1.531220936e+03 1.529245945e+03 3.118568683e+02 7.817976745e+02 1.355878953e+03 3.908130652e+02 7.550779596e+02 1.12 1.369678090e+03 6.618745338e+02 1.140050752e+03 1.367186122e+03 1.363599832e+03 2.787600839e+02 6.943475500e+02 1.213334530e+03 3.450877259e+02 6.662773005e+02 1.14 1.228032336e+03 5.910377824e+02 1.021124573e+03 1.224448128e+03 1.219989758e+03 2.491926351e+02 6.160128334e+02 1.088228310e+03 3.057648804e+02 5.876912306e+02 1.16 1.103634193e+03 5.274397865e+02 9.177572361e+02 1.099476454e+03 1.094933088e+03 2.228247391e+02 5.460626886e+02 9.771840268e+02 2.717905138e+02 5.187097273e+02 1.18 9.929930633e+02 4.701238239e+02 8.274611921e+02 9.890406815e+02 9.851387540e+02 1.993415079e+02 4.837901576e+02 8.777694171e+02 2.422610538e+02 4.586486863e+02 1.20 8.935608058e+02 4.186036051e+02 7.476682501e+02 8.906055618e+02 8.878836453e+02 1.783923677e+02 4.284969216e+02 7.884621194e+02 2.164898057e+02 4.066990436e+02 1.22 8.039149817e+02 3.725679433e+02 6.760566835e+02 8.024379304e+02 8.011567553e+02 1.596143677e+02 3.795105215e+02 7.082887310e+02 1.939567103e+02 3.619397411e+02 1.24 7.232585814e+02 3.316829082e+02 6.108927900e+02 7.233284624e+02 7.234907699e+02 1.426751632e+02 3.362399696e+02 6.364396380e+02 1.742162555e+02 3.233787395e+02 1.26 6.508875653e+02 2.955490197e+02 5.511413223e+02 6.522883720e+02 6.537138197e+02 1.273171610e+02 2.982046990e+02 5.721334451e+02 1.568507572e+02 2.900284985e+02 1.28 5.860883087e+02 2.637031577e+02 4.962797713e+02 5.884538032e+02 5.908223434e+02 1.133678013e+02 2.649907386e+02 5.146349140e+02 1.414648083e+02 2.610088542e+02 1.30 5.281716285e+02 2.356327330e+02 4.460175967e+02 5.310614181e+02 5.339513115e+02 1.007012720e+02 2.361779020e+02 4.632486017e+02 1.277115202e+02 2.356292612e+02 1.32 4.764694107e+02 2.108049655e+02 4.001042548e+02 4.794259918e+02 4.823825728e+02 8.920105485e+01 2.113075477e+02 4.172898405e+02 1.153171293e+02 2.133724685e+02 1.34 4.302917181e+02 1.887119385e+02 3.582902598e+02 4.329176378e+02 4.355435575e+02 7.875816427e+01 1.898915968e+02 3.760993713e+02 1.040759852e+02 1.937852029e+02 1.36 3.889172238e+02 1.689213892e+02 3.203469233e+02 3.909450001e+02 3.929727764e+02 6.928227193e+01 1.714357514e+02 3.390801146e+02 9.383026143e+01 1.764108655e+02 1.38 3.516459448e+02 1.511107267e+02 2.860811209e+02 3.529584683e+02 3.542709919e+02 6.070815983e+01 1.554653318e+02 3.057126289e+02 8.445618472e+01 1.608114995e+02 1.40 3.178800525e+02 1.350660522e+02 2.553256998e+02 3.184858930e+02 3.190917335e+02 5.298995451e+01 1.415425447e+02 2.755636604e+02 7.585542235e+01 1.466215736e+02 1.42 2.871887238e+02 1.206504775e+02 2.279106241e+02 2.871761407e+02 2.871635576e+02 4.608713060e+01 1.292722311e+02 2.483013260e+02 6.795233187e+01 1.335928591e+02 1.44 2.593035140e+02 1.077630015e+02 2.036427538e+02 2.587947914e+02 2.582860688e+02 3.995579485e+01 1.183121924e+02 2.236788835e+02 6.069508781e+01 1.215925056e+02 1.46 2.340369077e+02 9.630941392e+01 1.823016187e+02 2.331623174e+02 2.322877272e+02 3.454708302e+01 1.083900065e+02 2.014832406e+02 5.404975090e+01 1.105483088e+02 1.48 2.112056858e+02 8.618842088e+01 1.636403100e+02 2.100961508e+02 2.089866157e+02 2.980715783e+01 9.930487380e+01 1.815016350e+02 4.798847109e+01 1.003970740e+02 1.50 1.906118462e+02 7.728937239e+01 1.473883845e+02 1.893962247e+02 1.881806033e+02 2.567755516e+01 9.091570215e+01 1.635243434e+02 4.248175480e+01 9.107097578e+01 1.52 1.720499163e+02 6.949466709e+01 1.332574321e+02 1.708506121e+02 1.696513079e+02 2.209596531e+01 8.313038422e+01 1.473594862e+02 3.749696725e+01 8.249973491e+01 1.54 1.553203839e+02 6.268372902e+01 1.209501511e+02 1.542461989e+02 1.531720139e+02 1.899756956e+01 7.589225435e+01 1.328450453e+02 3.299865129e+01 7.461545751e+01 1.56 1.402455347e+02 5.673784432e+01 1.101731585e+02 1.393818922e+02 1.385182497e+02 1.631706386e+01 6.916011781e+01 1.198500261e+02 2.894935953e+01 6.735844079e+01 1.58 1.266818580e+02 5.154429320e+01 1.006520457e+02 1.260803553e+02 1.254788525e+02 1.399146353e+01 6.289581652e+01 1.082637361e+02 2.531102146e+01 6.068171013e+01 1.60 1.145204661e+02 4.699750825e+01 9.214518296e+01 1.141921484e+02 1.138638307e+02 1.196360491e+01 5.706359082e+01 9.798283421e+01 2.204673178e+01 5.455108416e+01 1.62 1.036722044e+02 4.299683483e+01 8.445365835e+01 1.035895734e+02 1.035069424e+02 1.018582182e+01 5.163294110e+01 8.890259862e+01 1.912254482e+01 4.893965280e+01 1.64 9.404849048e+01 3.944508625e+01 7.742901581e+01 9.415721860e+01 9.426594671e+01 8.622556498e+00 4.658075234e+01 8.091112077e+01 1.650853886e+01 4.382090861e+01 1.66 8.555198734e+01 3.625226801e+01 7.097754653e+01 8.578727651e+01 8.602256568e+01 7.250121715e+00 4.189100150e+01 7.388762534e+01 1.417850247e+01 3.916560109e+01 1.68 7.807538878e+01 3.334215811e+01 6.505084486e+01 7.837603396e+01 7.867667914e+01 6.052729871e+00 3.755173791e+01 6.770440987e+01 1.210857506e+01 3.494145023e+01 1.70 7.150220501e+01 3.065672705e+01 5.962258061e+01 7.181811900e+01 7.213403300e+01 5.017007647e+00 3.355159338e+01 6.223091622e+01 1.027622854e+01 3.111354596e+01 1.72 6.570868859e+01 2.815531399e+01 5.466938523e+01 6.600297323e+01 6.629725786e+01 4.129022598e+00 2.987818057e+01 5.733982064e+01 8.660220961e+00 2.764515956e+01 1.74 6.056748325e+01 2.580973961e+01 5.016490517e+01 6.081649492e+01 6.106550658e+01 3.374114417e+00 2.651781068e+01 5.291470700e+01 7.240939666e+00 2.449906624e+01 1.76 5.595357341e+01 2.360030457e+01 4.607917318e+01 5.614619337e+01 5.633881333e+01 2.737166969e+00 2.345544008e+01 4.885770006e+01 6.000591191e+00 2.163940327e+01 1.78 5.175262339e+01 2.151395034e+01 4.237849831e+01 5.188855676e+01 5.202449012e+01 2.202782327e+00 2.067469818e+01 4.509455391e+01 4.922806741e+00 1.903391150e+01 1.80 4.787052569e+01 1.954213028e+01 3.902561294e+01 4.795747176e+01 4.804441782e+01 1.755502554e+00 1.815803001e+01 4.157549916e+01 3.991779399e+00 1.665609993e+01 1.82 4.424100504e+01 1.767888867e+01 3.598023194e+01 4.429093923e+01 4.434087342e+01 1.380120543e+00 1.588698220e+01 3.827215030e+01 3.191666491e+00 1.448651388e+01 1.84 4.082678298e+01 1.592010196e+01 3.320018843e+01 4.085217745e+01 4.087757193e+01 1.062112954e+00 1.384265171e+01 3.517104139e+01 2.506713758e+00 1.251221438e+01 1.86 3.761198306e+01 1.426293591e+01 3.064328402e+01 3.762311942e+01 3.763425578e+01 7.882192425e-01 1.200629033e+01 3.226529381e+01 1.921756778e+00 1.072434394e+01 1.88 3.459020785e+01 1.270513168e+01 2.826986093e+01 3.459419814e+01 3.459818842e+01 5.471450714e-01 1.036000306e+01 2.954900763e+01 1.422770165e+00 9.115191027e+00 1.90 3.175669483e+01 1.124457057e+01 2.604580509e+01 3.175774712e+01 3.175879942e+01 3.302652229e-01 8.887394625e+00 2.701579529e+01 9.973780395e-01 7.676608222e+00 1.92 2.910637013e+01 9.879175525e+00 2.394522653e+01 2.910652991e+01 2.910668970e+01 1.320524184e-01 7.573929356e+00 2.465866943e+01 6.351800583e-01 6.399774647e+00 1.94 2.663371749e+01 8.606889110e+00 2.195164910e+01 2.663371860e+01 2.663371970e+01 -5.013090522e-02 6.406765052e+00 2.246998875e+01 3.277000410e-01 5.275232041e+00 1.96 2.433269240e+01 7.425645500e+00 2.005673957e+01 2.433268947e+01 2.433268655e+01 -2.170455852e-01 5.374035927e+00 2.044143021e+01 6.786864058e-02 4.292902022e+00 1.98 2.219663301e+01 6.333342332e+00 1.825697682e+01 2.219663283e+01 2.219663265e+01 -3.689517846e-01 4.463988294e+00 1.856401036e+01 -1.507301689e-01 3.442119032e+00 2.00 2.021818601e+01 5.327813874e+00 1.655041676e+01 2.021818601e+01 2.021818601e+01 -5.064169421e-01 3.664563188e+00 1.682817022e+01 -3.343147555e-01 2.711687205e+00 2.02 1.838925589e+01 4.406805634e+00 1.493530997e+01 1.838925589e+01 1.838925589e+01 -6.302529272e-01 2.963527006e+00 1.522393453e+01 -4.887825762e-01 2.089964458e+00 2.04 1.670098883e+01 3.567950586e+00 1.340995152e+01 1.670098883e+01 1.670098883e+01 -7.412755992e-01 2.348802521e+00 1.374114687e+01 -6.193487322e-01 1.564978128e+00 2.06 1.514380538e+01 2.808747280e+00 1.197268502e+01 1.514380538e+01 1.514380538e+01 -8.402491622e-01 1.808853140e+00 1.236976314e+01 -7.302691324e-01 1.124577993e+00 2.08 1.370749862e+01 2.126540149e+00 1.062188172e+01 1.370749862e+01 1.370749862e+01 -9.278879337e-01 1.333120912e+00 1.110015836e+01 -8.246762722e-01 7.566342999e-01 2.10 1.238141559e+01 1.518502420e+00 9.355918151e+00 1.238141559e+01 1.238141559e+01 -1.004860515e+00 9.124779687e-01 9.923376016e+00 -9.045744361e-01 4.492894462e-01 2.12 1.115473716e+01 9.816221009e-01 8.173154372e+00 1.115473716e+01 1.115473716e+01 -1.071793638e+00 5.396021513e-01 8.831250404e+00 -9.710610344e-01 1.912703172e-01 2.14 1.001686176e+01 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