# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Erhart-P-Juslin-N-Goy-O-et-al--Zn-O # implementation = Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_002 # composition = Zn # 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 2024-11-27 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 2.387363167e+03 nan nan nan nan 0.58 nan nan nan nan nan 2.108510364e+03 nan nan nan nan 0.60 nan nan nan nan nan 1.868841096e+03 nan nan 2.180917961e+03 nan 0.62 nan nan nan nan nan 1.661344820e+03 nan nan 1.936620886e+03 nan 0.64 nan nan nan nan nan 1.478877996e+03 nan nan 1.723585746e+03 nan 0.66 nan 2.169878872e+03 nan nan nan 1.317947519e+03 2.214949102e+03 nan 1.537824242e+03 2.182183909e+03 0.68 nan 1.946298936e+03 nan nan nan 1.176577410e+03 1.987186018e+03 nan 1.375603333e+03 1.957229659e+03 0.70 nan 1.748907474e+03 nan nan nan 1.053822117e+03 1.785473440e+03 nan 1.232926907e+03 1.759416003e+03 0.72 nan 1.574041646e+03 2.169215131e+03 nan nan 9.468526933e+02 1.607078781e+03 2.239770849e+03 1.106602852e+03 1.585725255e+03 0.74 2.178244924e+03 1.419338196e+03 1.963948553e+03 2.177113080e+03 2.176682853e+03 8.523329237e+02 1.449590887e+03 2.028411357e+03 9.944558915e+02 1.431738715e+03 0.76 1.976921726e+03 1.281282230e+03 1.780794620e+03 1.975720834e+03 1.975088146e+03 7.680854671e+02 1.310400682e+03 1.838990898e+03 8.949595349e+02 1.293927250e+03 0.78 1.795996577e+03 1.158404835e+03 1.616899734e+03 1.795698854e+03 1.795347437e+03 6.929069537e+02 1.186315121e+03 1.669048836e+03 8.065316233e+02 1.170293871e+03 0.80 1.633577834e+03 1.048510362e+03 1.469138701e+03 1.634195953e+03 1.634228965e+03 6.255490201e+02 1.074515535e+03 1.516808966e+03 7.273819241e+02 1.060001869e+03 0.82 1.487406396e+03 9.496679923e+02 1.335832165e+03 1.488675099e+03 1.489055996e+03 5.653728704e+02 9.742426615e+02 1.380244794e+03 6.566519972e+02 9.620147314e+02 0.84 1.356542311e+03 8.613708739e+02 1.215589393e+03 1.357671088e+03 1.358276902e+03 5.115682308e+02 8.845875451e+02 1.258074815e+03 5.933223020e+02 8.742817044e+02 0.86 1.239420249e+03 7.822537956e+02 1.107600508e+03 1.239664990e+03 1.240324657e+03 4.633461284e+02 8.043503954e+02 1.148302736e+03 5.365687501e+02 7.951654103e+02 0.88 1.133572947e+03 7.111233300e+02 1.011424947e+03 1.133102756e+03 1.133490282e+03 4.203424454e+02 7.322564590e+02 1.049095855e+03 4.857454265e+02 7.234956504e+02 0.90 1.037658917e+03 6.470733426e+02 9.256684902e+02 1.036867889e+03 1.036837738e+03 3.821661952e+02 6.671399955e+02 9.592435951e+02 4.403832387e+02 6.585884442e+02 0.92 9.502758271e+02 5.893227923e+02 8.475598735e+02 9.496544303e+02 9.492415127e+02 3.477036160e+02 6.077729383e+02 8.776783927e+02 3.996995168e+02 5.996536114e+02 0.94 8.708564876e+02 5.369509613e+02 7.763944250e+02 8.705201466e+02 8.698349728e+02 3.166135019e+02 5.536401662e+02 8.037009870e+02 3.631958639e+02 5.463197934e+02 0.96 7.987620886e+02 4.893934336e+02 7.112160804e+02 7.987362892e+02 7.980295727e+02 2.880905625e+02 5.043473562e+02 7.368335925e+02 3.304574948e+02 4.980199133e+02 0.98 7.335254285e+02 4.463471341e+02 6.515678997e+02 7.336754937e+02 7.332215547e+02 2.618246347e+02 4.596381928e+02 6.763129439e+02 3.009394104e+02 4.544532362e+02 1.00 6.744583858e+02 4.072717662e+02 5.973504439e+02 6.745705464e+02 6.744467194e+02 2.378771971e+02 4.192742385e+02 6.210907927e+02 2.741790276e+02 4.151372047e+02 1.02 6.207085108e+02 3.713948857e+02 5.484310580e+02 6.205769599e+02 6.207017582e+02 2.163390503e+02 3.828728011e+02 5.703109035e+02 2.497530644e+02 3.799920153e+02 1.04 5.709114491e+02 3.384481132e+02 5.039897777e+02 5.708181984e+02 5.711954258e+02 1.970090475e+02 3.502145447e+02 5.234114695e+02 2.274256237e+02 3.483064148e+02 1.06 5.247624065e+02 3.083862550e+02 4.631696261e+02 5.249749312e+02 5.255212578e+02 1.797676638e+02 3.208050176e+02 4.802487709e+02 2.069870691e+02 3.195784316e+02 1.08 4.822495252e+02 2.812644555e+02 4.254976458e+02 4.827376958e+02 4.833523415e+02 1.644098135e+02 2.940562770e+02 4.407373756e+02 1.883176199e+02 2.935820336e+02 1.10 4.432284765e+02 2.569533144e+02 3.905825373e+02 4.438843375e+02 4.444963841e+02 1.504439923e+02 2.695411908e+02 4.047872829e+02 1.713421733e+02 2.697197259e+02 1.12 4.075900572e+02 2.352808765e+02 3.582257481e+02 4.083244470e+02 4.088737299e+02 1.375501596e+02 2.471204181e+02 3.723600244e+02 1.559315747e+02 2.474911283e+02 1.14 3.754125397e+02 2.158602340e+02 3.284632783e+02 3.759790346e+02 3.763122040e+02 1.257095113e+02 2.266472088e+02 3.430657486e+02 1.420098098e+02 2.268707004e+02 1.16 3.466235154e+02 1.980583747e+02 3.013601569e+02 3.466978252e+02 3.466821232e+02 1.148884324e+02 2.079815307e+02 3.163229672e+02 1.293216725e+02 2.078363104e+02 1.18 3.203090073e+02 1.815320528e+02 2.769533954e+02 3.199436393e+02 3.196095054e+02 1.050011918e+02 1.909253814e+02 2.916952112e+02 1.176817696e+02 1.903692237e+02 1.20 2.959889565e+02 1.661389952e+02 2.550631138e+02 2.953540737e+02 2.947846893e+02 9.605196378e+01 1.753503422e+02 2.689385371e+02 1.070171643e+02 1.743450882e+02 1.22 2.732847135e+02 1.517979740e+02 2.352854063e+02 2.725662028e+02 2.718734378e+02 8.801574155e+01 1.610492256e+02 2.478474267e+02 9.722570854e+01 1.595087617e+02 1.24 2.521642562e+02 1.385067776e+02 2.171260271e+02 2.514654504e+02 2.507664197e+02 8.067095612e+01 1.477320466e+02 2.283201860e+02 8.829673519e+01 1.459055032e+02 1.26 2.325722401e+02 1.262716124e+02 2.004005122e+02 2.319830472e+02 2.313931171e+02 7.394718879e+01 1.353212922e+02 2.102632349e+02 8.024976077e+01 1.334668603e+02 1.28 2.143966037e+02 1.151095646e+02 1.850228917e+02 2.140209927e+02 2.136457253e+02 6.782240143e+01 1.237546547e+02 1.936607339e+02 7.299015938e+01 1.219161839e+02 1.30 1.976246713e+02 1.050452983e+02 1.709065172e+02 1.975021860e+02 1.973816007e+02 6.227089792e+01 1.129320787e+02 1.784545060e+02 6.642543481e+01 1.112634380e+02 1.32 1.822561316e+02 9.604146665e+01 1.579611277e+02 1.823404603e+02 1.824284642e+02 5.725867119e+01 1.028799366e+02 1.644438086e+02 6.051368485e+01 1.015580387e+02 1.34 1.682368123e+02 8.797610331e+01 1.460224339e+02 1.684686791e+02 1.687056051e+02 5.269989565e+01 9.361374810e+01 1.515673573e+02 5.516161231e+01 9.283893225e+01 1.36 1.554321346e+02 8.059914294e+01 1.349045256e+02 1.557610390e+02 1.560952758e+02 4.850859745e+01 8.508810107e+01 1.397669293e+02 5.034574895e+01 8.508992365e+01 1.38 1.436907195e+02 7.381656057e+01 1.245630119e+02 1.440825012e+02 1.444789381e+02 4.465380247e+01 7.735769424e+01 1.288957630e+02 4.601946141e+01 7.816344856e+01 1.40 1.327386168e+02 6.754394607e+01 1.148757910e+02 1.331878401e+02 1.336408786e+02 4.107078965e+01 7.042510656e+01 1.188137229e+02 4.206700899e+01 7.173462599e+01 1.42 1.225475481e+02 6.175509679e+01 1.056685362e+02 1.230012096e+02 1.234577202e+02 3.767740473e+01 6.418670299e+01 1.094987366e+02 3.841131429e+01 6.577790326e+01 1.44 1.130991386e+02 5.635170179e+01 9.695896309e+01 1.135088866e+02 1.139204552e+02 3.447791780e+01 5.857042715e+01 1.009315530e+02 3.502936572e+01 6.027938348e+01 1.46 1.043766857e+02 5.129260892e+01 8.876254918e+01 1.046997058e+02 1.050235295e+02 3.147640490e+01 5.355715921e+01 9.308993482e+01 3.190815487e+01 5.522667653e+01 1.48 9.636293801e+01 4.657427540e+01 8.109224271e+01 9.656270388e+01 9.676235164e+01 2.867494457e+01 4.898766766e+01 8.593303646e+01 2.903478625e+01 5.060715585e+01 1.50 8.903598625e+01 4.215895924e+01 7.396799737e+01 8.908531441e+01 8.913378670e+01 2.607552721e+01 4.477719609e+01 7.931499898e+01 2.638076385e+01 4.640539110e+01 1.52 8.236416245e+01 3.804999955e+01 6.742721173e+01 8.225022801e+01 8.213496308e+01 2.368257687e+01 4.091292672e+01 7.315530719e+01 2.393446695e+01 4.260036429e+01 1.54 7.623883816e+01 3.423853557e+01 6.149639185e+01 7.597955190e+01 7.571871300e+01 2.150459285e+01 3.738151380e+01 6.732607528e+01 2.169141274e+01 3.913373550e+01 1.56 7.038204219e+01 3.067823277e+01 5.615763332e+01 7.004547866e+01 6.970732530e+01 1.955275845e+01 3.416756932e+01 6.177142083e+01 1.964652367e+01 3.587877761e+01 1.58 6.477781393e+01 2.738704809e+01 5.145030021e+01 6.443441381e+01 6.408958874e+01 1.783505834e+01 3.125233262e+01 5.650078742e+01 1.779296368e+01 3.282010169e+01 1.60 5.943918083e+01 2.440017042e+01 4.736061429e+01 5.915404848e+01 5.886780518e+01 1.634105379e+01 2.859337481e+01 5.152088882e+01 1.610678079e+01 2.995511975e+01 1.62 5.437355826e+01 2.175984356e+01 4.363245936e+01 5.416570719e+01 5.395707832e+01 1.498205018e+01 2.614340422e+01 4.683814163e+01 1.457252264e+01 2.728129966e+01 1.64 4.958495857e+01 1.947662875e+01 4.014001978e+01 4.945708750e+01 4.932872153e+01 1.370593490e+01 2.386702960e+01 4.246475136e+01 1.316910248e+01 2.479634044e+01 1.66 4.507878536e+01 1.743050020e+01 3.681095557e+01 4.502838691e+01 4.497768431e+01 1.247768444e+01 2.174498841e+01 3.842562187e+01 1.186855140e+01 2.249853725e+01 1.68 4.086897896e+01 1.560213901e+01 3.364722321e+01 4.089223124e+01 4.091525474e+01 1.130301828e+01 1.977072187e+01 3.476184050e+01 1.066930784e+01 2.038701579e+01 1.70 3.698555150e+01 1.398633366e+01 3.065084004e+01 3.707376161e+01 3.716170779e+01 1.018516635e+01 1.793822046e+01 3.151532336e+01 9.569706616e+00 1.846146131e+01 1.72 3.347720581e+01 1.252567018e+01 2.782309802e+01 3.361209954e+01 3.374663295e+01 9.124222261e+00 1.624192200e+01 2.864948465e+01 8.555720697e+00 1.672105678e+01 1.74 3.040085459e+01 1.120166906e+01 2.516556388e+01 3.055202672e+01 3.070277223e+01 8.117885136e+00 1.467667120e+01 2.615971396e+01 7.619154328e+00 1.516267021e+01 1.76 2.779433694e+01 1.000712550e+01 2.268158879e+01 2.792331650e+01 2.805191756e+01 7.163243786e+00 1.323766631e+01 2.396580382e+01 6.758246902e+00 1.377884033e+01 1.78 2.552296136e+01 8.923735458e+00 2.037790027e+01 2.561147098e+01 2.569971821e+01 6.259864992e+00 1.192032617e+01 2.193279291e+01 5.970751276e+00 1.253258695e+01 1.80 2.341658092e+01 7.932142070e+00 1.826545963e+01 2.347137012e+01 2.352599804e+01 5.414020868e+00 1.072003848e+01 2.003783041e+01 5.244327825e+00 1.138451128e+01 1.82 2.146348911e+01 7.025195491e+00 1.635843308e+01 2.149266199e+01 2.152175337e+01 4.642510873e+00 9.628677817e+00 1.827246999e+01 4.577956602e+00 1.032716270e+01 1.84 1.965305718e+01 6.196300864e+00 1.467033103e+01 1.966548152e+01 1.967787825e+01 3.972181663e+00 8.618909384e+00 1.662984542e+01 3.974163675e+00 9.353701656e+00 1.86 1.797538088e+01 5.439357197e+00 1.320767899e+01 1.798006638e+01 1.798474976e+01 3.430546725e+00 7.686245723e+00 1.510366955e+01 3.434117186e+00 8.457799342e+00 1.88 1.641958318e+01 4.748721047e+00 1.194333603e+01 1.642354062e+01 1.642749807e+01 3.009877356e+00 6.821106164e+00 1.368713057e+01 2.954988393e+00 7.631799741e+00 1.90 1.495436788e+01 4.119172847e+00 1.078435688e+01 1.495816283e+01 1.496195778e+01 2.630167023e+00 6.012973044e+00 1.236066222e+01 2.516359780e+00 6.846418347e+00 1.92 1.356979023e+01 3.545885690e+00 9.715344423e+00 1.357332807e+01 1.357686591e+01 2.281127072e+00 5.261564919e+00 1.111773781e+01 2.112769668e+00 6.097056358e+00 1.94 1.226483734e+01 3.024396397e+00 8.729860135e+00 1.226798861e+01 1.227113987e+01 1.960584569e+00 4.566143845e+00 9.957322415e+00 1.743268494e+00 5.387836034e+00 1.96 1.103845677e+01 2.550578693e+00 7.821910152e+00 1.104105175e+01 1.104364673e+01 1.666512131e+00 3.925854497e+00 8.878339136e+00 1.407701025e+00 4.721346368e+00 1.98 9.889566554e+00 2.120618347e+00 6.985915027e+00 9.891401180e+00 9.893235806e+00 1.397018438e+00 3.340107443e+00 7.879667315e+00 1.106762179e+00 4.098578630e+00 2.00 8.817149433e+00 1.730990123e+00 6.216681563e+00 8.818002894e+00 8.818856354e+00 1.150339358e+00 2.808870058e+00 6.960144678e+00 8.416426342e-01 3.519109811e+00 2.02 7.820389035e+00 1.378436416e+00 5.509376534e+00 7.820052431e+00 7.819715827e+00 9.248296424e-01 2.332700186e+00 6.118531016e+00 6.132525670e-01 2.981566928e+00 2.04 6.898789581e+00 1.059947456e+00 4.859502184e+00 6.897102968e+00 6.895416355e+00 7.189551539e-01 1.912380170e+00 5.352809154e+00 4.212517936e-01 2.484385992e+00 2.06 6.052207538e+00 7.727429532e-01 4.262873386e+00 6.049100080e+00 6.045992621e+00 5.312855957e-01 1.548136926e+00 4.653739392e+00 2.565243821e-01 2.026811584e+00 2.08 5.280724461e+00 5.142550883e-01 3.715596336e+00 5.276249439e+00 5.271774417e+00 3.604877090e-01 1.238661065e+00 4.017554883e+00 1.078945416e-01 1.609926974e+00 2.10 4.584317904e+00 2.821127470e-01 3.214048693e+00 4.578672317e+00 4.573026731e+00 2.053189075e-01 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