# 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 = N # 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 1.964603311e+03 nan nan nan nan 0.62 nan nan nan nan nan 1.587126469e+03 nan nan 2.134983039e+03 nan 0.64 nan nan nan nan nan 1.288776914e+03 nan nan 1.755250867e+03 nan 0.66 nan nan nan nan nan 1.049715306e+03 nan nan 1.447504039e+03 nan 0.68 nan nan nan nan nan 8.579172982e+02 nan nan 1.194286165e+03 nan 0.70 nan 1.791023980e+03 nan nan nan 7.061058898e+02 1.853550842e+03 nan 9.836795313e+02 1.829240646e+03 0.72 nan 1.493121958e+03 nan nan nan 5.874906499e+02 1.561134212e+03 nan 8.089507579e+02 1.540119336e+03 0.74 nan 1.251611282e+03 nan nan nan 4.941948201e+02 1.321479076e+03 nan 6.653999923e+02 1.296275320e+03 0.76 nan 1.056163659e+03 1.833625572e+03 nan nan 4.191446818e+02 1.119699252e+03 1.945243800e+03 5.486203167e+02 1.087056606e+03 0.78 1.869069987e+03 8.967877619e+02 1.550518607e+03 1.866971480e+03 1.863123842e+03 3.568001418e+02 9.463428684e+02 1.652417571e+03 4.547480256e+02 9.074911151e+02 0.80 1.595618741e+03 7.634639916e+02 1.319954984e+03 1.590249411e+03 1.583235361e+03 3.037294817e+02 7.969587107e+02 1.413178855e+03 3.798526788e+02 7.547569148e+02 0.82 1.370546646e+03 6.487331247e+02 1.133433077e+03 1.363332264e+03 1.355734389e+03 2.586933847e+02 6.691173847e+02 1.212148778e+03 3.196776775e+02 6.273714949e+02 0.84 1.179022124e+03 5.490849602e+02 9.809517965e+02 1.172880555e+03 1.167139076e+03 2.206766333e+02 5.605012718e+02 1.039615939e+03 2.706874875e+02 5.234439107e+02 0.86 1.013148378e+03 4.635884280e+02 8.517325635e+02 1.010317244e+03 1.007789165e+03 1.883284180e+02 4.686771794e+02 8.912065022e+02 2.306400121e+02 4.400511058e+02 0.88 8.701739086e+02 3.914581321e+02 7.379811938e+02 8.709459521e+02 8.717828519e+02 1.603074023e+02 3.915760728e+02 7.641491680e+02 1.978636108e+02 3.733944485e+02 0.90 7.477915550e+02 3.313886103e+02 6.363688067e+02 7.513046839e+02 7.548205341e+02 1.357632921e+02 3.278165827e+02 6.557970556e+02 1.707384909e+02 3.195489827e+02 0.92 6.436871792e+02 2.815418775e+02 5.458927777e+02 6.485319562e+02 6.533767352e+02 1.142518117e+02 2.761110415e+02 5.636628787e+02 1.477932913e+02 2.755952025e+02 0.94 5.555253223e+02 2.397676283e+02 4.658221122e+02 5.601578652e+02 5.647904082e+02 9.536674934e+01 2.348236971e+02 4.851678697e+02 1.279827043e+02 2.396632778e+02 0.96 4.805184604e+02 2.041007024e+02 3.954521896e+02 4.838620449e+02 4.872056293e+02 7.875847764e+01 2.020629578e+02 4.178658694e+02 1.106205519e+02 2.099131296e+02 0.98 4.157370077e+02 1.732417760e+02 3.343195344e+02 4.174311679e+02 4.191253281e+02 6.424219099e+01 1.759351968e+02 3.596895043e+02 9.523015258e+01 1.844467673e+02 1.00 3.590228012e+02 1.465790714e+02 2.820869744e+02 3.592269569e+02 3.594311127e+02 5.173940340e+01 1.546928717e+02 3.091531069e+02 8.147581443e+01 1.619048714e+02 1.02 3.093928314e+02 1.238293601e+02 2.382806949e+02 3.084606277e+02 3.075284240e+02 4.116139754e+01 1.368338357e+02 2.653863554e+02 6.918194276e+01 1.417545125e+02 1.04 2.663027577e+02 1.047322742e+02 2.022096011e+02 2.646307693e+02 2.629587809e+02 3.237945548e+01 1.212812738e+02 2.276558955e+02 5.828406214e+01 1.238084654e+02 1.06 2.290921495e+02 8.894656365e+01 1.729583179e+02 2.270997218e+02 2.251072940e+02 2.522125906e+01 1.073728136e+02 1.951722254e+02 4.872318970e+01 1.078566818e+02 1.08 1.969882077e+02 7.605761333e+01 1.494158598e+02 1.950918651e+02 1.931955225e+02 1.947235644e+01 9.478055646e+01 1.672335441e+02 4.041301087e+01 9.364789286e+01 1.10 1.692614337e+02 6.561995835e+01 1.303630509e+02 1.678114287e+02 1.663614237e+02 1.488573912e+01 8.335321865e+01 1.433478516e+02 3.324034225e+01 8.094556977e+01 1.12 1.454033616e+02 5.720680995e+01 1.146183266e+02 1.445907667e+02 1.437781718e+02 1.120459268e+01 7.295872377e+01 1.231729965e+02 2.707525530e+01 6.959359344e+01 1.14 1.251294007e+02 5.041372191e+01 1.011816198e+02 1.249330084e+02 1.247366162e+02 8.201464606e+00 6.347628358e+01 1.063937295e+02 2.179055129e+01 5.951796638e+01 1.16 1.081904379e+02 4.482997657e+01 8.935853282e+01 1.084326852e+02 1.086749324e+02 5.721960406e+00 5.483002398e+01 9.263753526e+01 1.728027499e+01 5.065939129e+01 1.18 9.426291025e+01 4.007489150e+01 7.884031646e+01 9.472726536e+01 9.519162048e+01 3.692809196e+00 4.699202653e+01 8.144361935e+01 1.345903469e+01 4.293516562e+01 1.20 8.293290310e+01 3.586971480e+01 6.955141565e+01 8.344162853e+01 8.395035396e+01 2.075132127e+00 3.994862152e+01 7.227966144e+01 1.024894627e+01 3.623470194e+01 1.22 7.370112899e+01 3.204764378e+01 6.144387285e+01 7.413572966e+01 7.457033033e+01 8.272023931e-01 3.367914451e+01 6.459517418e+01 7.577271803e+00 3.042316702e+01 1.24 6.601503773e+01 2.851155474e+01 5.444474518e+01 6.631947710e+01 6.662391647e+01 -9.943549638e-02 2.815221147e+01 5.790680147e+01 5.381224488e+00 2.535397072e+01 1.26 5.934678758e+01 2.521103668e+01 4.844991982e+01 5.952105548e+01 5.969532337e+01 -7.589502220e-01 2.332461353e+01 5.187475250e+01 3.606712378e+00 2.089220471e+01 1.28 5.330817108e+01 2.212156410e+01 4.332169165e+01 5.338794279e+01 5.346771450e+01 -1.209770060e+00 1.914161506e+01 4.632550776e+01 2.199110705e+00 1.694237686e+01 1.30 4.772037516e+01 1.923258188e+01 3.889259039e+01 4.774834376e+01 4.777631235e+01 -1.511695348e+00 1.553964176e+01 4.120997451e+01 1.099847002e+00 1.345883949e+01 1.32 4.254778133e+01 1.654162061e+01 3.498080808e+01 4.255443003e+01 4.256107873e+01 -1.720466466e+00 1.245217457e+01 3.652038400e+01 2.504821552e-01 1.042371975e+01 1.34 3.778784695e+01 1.404798806e+01 3.142045291e+01 3.778863312e+01 3.778941929e+01 -1.879454392e+00 9.818122801e+00 3.224898505e+01 -4.010323972e-01 7.820802081e+00 1.36 3.343698381e+01 1.175098988e+01 2.809772655e+01 3.343699662e+01 3.343700944e+01 -2.012129174e+00 7.588274733e+00 2.838329747e+01 -8.949442863e-01 5.629023327e+00 1.38 2.948818254e+01 9.649723437e+00 2.496477251e+01 2.948818188e+01 2.948818121e+01 -2.123962477e+00 5.723020059e+00 2.490515833e+01 -1.260137954e+00 3.822095836e+00 1.40 2.592993806e+01 7.742888951e+00 2.201306630e+01 2.592993806e+01 2.592993806e+01 -2.214769532e+00 4.182824011e+00 2.179016738e+01 -1.521309120e+00 2.368347254e+00 1.42 2.274515452e+01 6.028595763e+00 1.924213802e+01 2.274515452e+01 2.274515452e+01 -2.285728034e+00 2.923347735e+00 1.900795970e+01 -1.703342248e+00 1.230805423e+00 1.44 1.991019700e+01 4.504167095e+00 1.665180683e+01 1.991019700e+01 1.991019700e+01 -2.338402217e+00 1.896886813e+00 1.652373477e+01 -1.829082519e+00 3.676164050e-01 1.46 1.739436261e+01 3.165946475e+00 1.424192092e+01 1.739436261e+01 1.739436261e+01 -2.374225019e+00 1.055901405e+00 1.430111928e+01 -1.916046418e+00 -2.670772866e-01 1.48 1.516020889e+01 2.009110719e+00 1.201222791e+01 1.516020889e+01 1.516020889e+01 -2.394502558e+00 3.580906125e-01 1.230543869e+01 -1.974235903e+00 -7.215790641e-01 1.50 1.316533420e+01 1.027496641e+00 9.962232936e+00 1.316533420e+01 1.316533420e+01 -2.400429842e+00 -2.280319698e-01 1.050543847e+01 -2.007022982e+00 -1.044065689e+00 1.52 1.136618363e+01 2.134512669e-01 8.091052331e+00 1.136618363e+01 1.136618363e+01 -2.393104889e+00 -7.201774065e-01 8.872944337e+00 -2.015429561e+00 -1.278672705e+00 1.54 9.723876301e+00 -4.422818091e-01 6.397263178e+00 9.723876301e+00 9.723876301e+00 -2.373541478e+00 -1.125572227e+00 7.383666795e+00 -2.001374357e+00 -1.460441868e+00 1.56 8.210459056e+00 -9.506242953e-01 4.878749878e+00 8.210459056e+00 8.210459056e+00 -2.342680765e+00 -1.448621707e+00 6.020310194e+00 -1.967487741e+00 -1.610877641e+00 1.58 6.811824043e+00 -1.324154934e+00 3.532549836e+00 6.811824043e+00 6.811824043e+00 -2.301401902e+00 -1.695062201e+00 4.774144173e+00 -1.916613240e+00 -1.737765080e+00 1.60 5.524036195e+00 -1.577010778e+00 2.354701803e+00 5.524036195e+00 5.524036195e+00 -2.250531858e+00 -1.871853407e+00 3.642463830e+00 -1.851745237e+00 -1.841346015e+00 1.62 4.346378669e+00 -1.724677318e+00 1.340102075e+00 4.346378669e+00 4.346378669e+00 -2.190854547e+00 -1.986889917e+00 2.624203035e+00 -1.775984022e+00 -1.921414031e+00 1.64 3.278052760e+00 -1.783649104e+00 4.823758766e-01 3.278052760e+00 3.278052760e+00 -2.123119396e+00 -2.048835479e+00 1.717962918e+00 -1.692460700e+00 -1.978752725e+00 1.66 2.317949751e+00 -1.770948834e+00 -2.262262427e-01 2.317949751e+00 2.317949751e+00 -2.048049454e+00 -2.066820865e+00 9.218933778e-01 -1.604225972e+00 -2.014311916e+00 1.68 1.464631939e+00 -1.703505077e+00 -7.948942609e-01 1.464631939e+00 1.464631939e+00 -1.966349122e+00 -2.049968327e+00 2.336530531e-01 -1.514098860e+00 -2.029063770e+00 1.70 7.162636581e-01 -1.597408800e+00 -1.234270826e+00 7.162636581e-01 7.162636581e-01 -1.878711577e+00 -2.006745483e+00 -3.496654877e-01 -1.424476796e+00 -2.024017567e+00 1.72 7.054193283e-02 -1.467099983e+00 -1.556390537e+00 7.054193283e-02 7.054193283e-02 -1.785825931e+00 -1.944222179e+00 -8.316073135e-01 -1.337120457e+00 -2.000236431e+00 1.74 -4.753708890e-01 -1.324582129e+00 -1.774524555e+00 -4.753708890e-01 -4.753708890e-01 -1.688384162e+00 -1.867425259e+00 -1.216420122e+00 -1.252949850e+00 -1.958853544e+00 1.76 -9.249107252e-01 -1.178828383e+00 -1.902907715e+00 -9.249107252e-01 -9.249107252e-01 -1.587087806e+00 -1.779125637e+00 -1.509109306e+00 -1.171925617e+00 -1.901087623e+00 1.78 -1.282169226e+00 -1.035618620e+00 -1.956327805e+00 -1.282169226e+00 -1.282169226e+00 -1.482654384e+00 -1.680397340e+00 -1.715478961e+00 -1.093131791e+00 -1.828257335e+00 1.80 -1.551942164e+00 -8.980694253e-01 -1.949566006e+00 -1.551942164e+00 -1.551942164e+00 -1.375823475e+00 -1.571875426e+00 -1.842153924e+00 -1.015174660e+00 -1.741794180e+00 1.82 -1.739765151e+00 -7.679167483e-01 -1.896698765e+00 -1.739765151e+00 -1.739765151e+00 -1.267362321e+00 -1.454842009e+00 -1.896577156e+00 -9.368615957e-01 -1.643253255e+00 1.84 -1.851932391e+00 -6.469975499e-01 -1.810311998e+00 -1.851932391e+00 -1.851932391e+00 -1.158070729e+00 -1.331276412e+00 -1.886976185e+00 -8.577815448e-01 -1.534321119e+00 1.86 -1.895493586e+00 -5.377627308e-01 -1.700745336e+00 -1.895493586e+00 -1.895493586e+00 -1.048784998e+00 -1.203420286e+00 -1.822292026e+00 -7.782829377e-01 -1.416819821e+00 1.88 -1.878223577e+00 -4.424364041e-01 -1.575574432e+00 -1.878223577e+00 -1.878223577e+00 -9.403804321e-01 -1.073604023e+00 -1.712064144e+00 -6.990242817e-01 -1.292705933e+00 1.90 -1.808559073e+00 -3.620965694e-01 -1.439615146e+00 -1.808559073e+00 -1.808559073e+00 -8.337718722e-01 -9.441956390e-01 -1.566265953e+00 -6.207289502e-01 -1.164063240e+00 1.92 -1.695496904e+00 -2.963905410e-01 -1.295682982e+00 -1.695496904e+00 -1.695496904e+00 -7.299114877e-01 -8.175437604e-01 -1.395087245e+00 -5.441518424e-01 -1.033087537e+00 1.94 -1.548449008e+00 -2.435945302e-01 -1.145987983e+00 -1.548449008e+00 -1.548449008e+00 -6.297828369e-01 -6.959055296e-01 -1.208663162e+00 -4.700735301e-01 -9.020618176e-01 1.96 -1.377050860e+00 -2.009631866e-01 -9.934080519e-01 -1.377050860e+00 -1.377050860e+00 -5.343899529e-01 -5.813604072e-01 -1.016754011e+00 -3.992910180e-01 -7.733200545e-01 1.98 -1.190922577e+00 -1.654164997e-01 -8.417141313e-01 -1.190922577e+00 -1.190922577e+00 -4.447399381e-01 -4.757135958e-01 -8.283864940e-01 -3.326034494e-01 -6.491977525e-01 2.00 -9.993857073e-01 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