# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 # composition = Te # 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 3.945594820e+04 nan nan nan nan 0.76 nan nan nan nan nan 3.368507703e+04 nan nan nan nan 0.78 nan nan nan nan nan 2.886112088e+04 nan nan 3.774685802e+04 nan 0.80 nan nan nan nan nan 2.481570667e+04 nan nan 3.242160404e+04 nan 0.82 nan nan nan nan nan 2.140800915e+04 nan nan 2.794692546e+04 nan 0.84 nan nan nan nan nan 1.852290529e+04 nan nan 2.418022722e+04 nan 0.86 nan 3.720218423e+04 nan nan nan 1.606995540e+04 3.838856366e+04 nan 2.100057327e+04 3.739789970e+04 0.88 nan 3.241242434e+04 nan nan nan 1.397881326e+04 3.346761094e+04 nan 1.830523507e+04 3.255659716e+04 0.90 nan 2.832273758e+04 nan nan nan 1.219642000e+04 2.924097582e+04 nan 1.600903673e+04 2.842857624e+04 0.92 nan 2.482272350e+04 nan nan nan 1.068168481e+04 2.560516685e+04 nan 1.404237494e+04 2.490990512e+04 0.94 nan 2.181705347e+04 3.675108306e+04 nan nan 9.395917190e+03 2.248027057e+04 3.874478847e+04 1.234826471e+04 2.190097914e+04 0.96 3.842180084e+04 1.922389442e+04 3.241566422e+04 3.841418376e+04 3.841360353e+04 8.299583409e+03 1.979408065e+04 3.417613615e+04 1.088014927e+04 1.931508707e+04 0.98 3.398183211e+04 1.697779874e+04 2.867462083e+04 3.395469253e+04 3.394410649e+04 7.354584472e+03 1.748128768e+04 3.022020972e+04 9.601714185e+03 1.708213846e+04 1.00 3.012066514e+04 1.502722581e+04 2.542226951e+04 3.008931881e+04 3.007407765e+04 6.529480206e+03 1.548521821e+04 2.677593799e+04 8.486174249e+03 1.514378970e+04 1.02 2.674697883e+04 1.333064865e+04 2.257886087e+04 2.672437227e+04 2.671041701e+04 5.802656865e+03 1.375658795e+04 2.376575341e+04 7.513362304e+03 1.345062400e+04 1.04 2.379155949e+04 1.185158902e+04 2.008335698e+04 2.378400442e+04 2.377626377e+04 5.160128414e+03 1.225117074e+04 2.113034095e+04 6.665840326e+03 1.196339483e+04 1.06 2.119931864e+04 1.055823031e+04 1.788860692e+04 2.120771714e+04 2.120887399e+04 4.591729583e+03 1.093081285e+04 1.882238884e+04 5.927094281e+03 1.065374443e+04 1.08 1.892528801e+04 9.424505846e+03 1.595961402e+04 1.894592033e+04 1.895530297e+04 4.089550411e+03 9.765734286e+03 1.680227649e+04 5.281986730e+03 9.501739787e+03 1.10 1.693058886e+04 8.428459169e+03 1.426725106e+04 1.695626589e+04 1.697030655e+04 3.647013268e+03 8.734703516e+03 1.503419322e+04 4.717432956e+03 8.490821670e+03 1.12 1.517990353e+04 7.551705714e+03 1.278299358e+04 1.520261539e+04 1.521679097e+04 3.257729430e+03 7.822425175e+03 1.348451917e+04 4.222644138e+03 7.603923086e+03 1.14 1.364199066e+04 6.779105972e+03 1.147962998e+04 1.365505602e+04 1.366555573e+04 2.915202021e+03 7.015897080e+03 1.212254904e+04 3.788410186e+03 6.823355698e+03 1.16 1.228867810e+04 6.096889952e+03 1.033339443e+04 1.228847271e+04 1.229295926e+04 2.613178684e+03 6.302644284e+03 1.092090981e+04 3.406490412e+03 6.132791008e+03 1.18 1.109271387e+04 5.492180060e+03 9.323915008e+03 1.108028745e+04 1.107822398e+04 2.346142638e+03 5.670914639e+03 9.855528555e+03 3.069634014e+03 5.519357304e+03 1.20 1.002901868e+04 4.954201872e+03 8.432449869e+03 1.000966619e+04 1.000212545e+04 2.109499166e+03 5.110178448e+03 8.906438809e+03 2.771508233e+03 4.973790494e+03 1.22 9.077792245e+03 4.474642607e+03 7.641205402e+03 9.058136863e+03 9.047183989e+03 1.899464951e+03 4.611187132e+03 8.058095433e+03 2.506528971e+03 4.488925640e+03 1.24 8.225012045e+03 4.046531760e+03 6.933665997e+03 8.209876537e+03 8.197866116e+03 1.712691756e+03 4.166079558e+03 7.298416071e+03 2.269908715e+03 4.058611565e+03 1.26 7.459916936e+03 3.663417795e+03 6.295833874e+03 7.451381710e+03 7.440468646e+03 1.546093157e+03 3.768564282e+03 6.617312274e+03 2.057676209e+03 3.677033727e+03 1.28 6.773203304e+03 3.319622780e+03 5.717792480e+03 6.771274522e+03 6.763165035e+03 1.397078682e+03 3.413829089e+03 6.006003420e+03 1.866561934e+03 3.338455975e+03 1.30 6.156562102e+03 3.010651372e+03 5.193539447e+03 6.160098888e+03 6.155961862e+03 1.263695635e+03 3.097956787e+03 5.456886930e+03 1.693912258e+03 3.037382702e+03 1.32 5.602455584e+03 2.733126973e+03 4.719074450e+03 5.609840672e+03 5.610229414e+03 1.144446759e+03 2.817133326e+03 4.963339937e+03 1.537534238e+03 2.768799973e+03 1.34 5.104124910e+03 2.484248571e+03 4.290871428e+03 5.113531916e+03 5.118247503e+03 1.038058722e+03 2.567382325e+03 4.519369187e+03 1.395572200e+03 2.528316556e+03 1.36 4.655426246e+03 2.261250691e+03 3.905436982e+03 4.665085688e+03 4.673166184e+03 9.433867765e+02 2.344753963e+03 4.119444702e+03 1.266542478e+03 2.312051119e+03 1.38 4.250736735e+03 2.061293298e+03 3.559115946e+03 4.259280567e+03 4.269216163e+03 8.593091412e+02 2.145557615e+03 3.758655799e+03 1.149325022e+03 2.116555004e+03 1.40 3.885090014e+03 1.881651598e+03 3.248008641e+03 3.891735466e+03 3.901856267e+03 7.846490460e+02 1.966483038e+03 3.432857741e+03 1.043022541e+03 1.938886591e+03 1.42 3.554166542e+03 1.719949420e+03 2.968161064e+03 3.558739561e+03 3.567631051e+03 7.182016957e+02 1.804639260e+03 3.138577538e+03 9.468188188e+02 1.776573738e+03 1.44 3.254260594e+03 1.574254803e+03 2.715899571e+03 3.257066255e+03 3.263804152e+03 6.588123109e+02 1.657559144e+03 2.872863935e+03 8.599200651e+02 1.627559723e+03 1.46 2.982411933e+03 1.442957380e+03 2.488113381e+03 2.983884575e+03 2.988013027e+03 6.054478164e+02 1.523154021e+03 2.633196226e+03 7.815648609e+02 1.490283730e+03 1.48 2.736354342e+03 1.324561963e+03 2.282287699e+03 2.736713942e+03 2.738117726e+03 5.572187581e+02 1.399698850e+03 2.417318242e+03 7.110464014e+02 1.363677989e+03 1.50 2.514123261e+03 1.217573514e+03 2.096278771e+03 2.513309473e+03 2.512123045e+03 5.133538584e+02 1.285854964e+03 2.222989488e+03 6.477067103e+02 1.246973945e+03 1.52 2.313698401e+03 1.120501552e+03 1.928138184e+03 2.311547583e+03 2.308107218e+03 4.731988533e+02 1.180647771e+03 2.047850974e+03 5.909124685e+02 1.139532425e+03 1.54 2.132927180e+03 1.031941456e+03 1.776139146e+03 2.129369150e+03 2.124164225e+03 4.362597730e+02 1.083392558e+03 1.889483616e+03 5.400335732e+02 1.040822549e+03 1.56 1.969567114e+03 9.506638014e+02 1.638797353e+03 1.964716176e+03 1.958331168e+03 4.022163822e+02 9.935825189e+02 1.745549996e+03 4.944320577e+02 9.504250562e+02 1.58 1.821343449e+03 8.756685844e+02 1.514756157e+03 1.815510754e+03 1.808572747e+03 3.708630567e+02 9.107816364e+02 1.613949246e+03 4.534766725e+02 8.679818182e+02 1.60 1.686047200e+03 8.062087989e+02 1.402626153e+03 1.679729688e+03 1.672865088e+03 3.420232829e+02 8.345697002e+02 1.492946752e+03 4.165798794e+02 7.931240473e+02 1.62 1.561703566e+03 7.417910010e+02 1.300930744e+03 1.555536663e+03 1.549323966e+03 3.155077432e+02 7.645322045e+02 1.381234828e+03 3.832345856e+02 7.254350545e+02 1.64 1.446758416e+03 6.821216630e+02 1.208160012e+03 1.441405669e+03 1.436319760e+03 2.911112614e+02 7.002582376e+02 1.277895000e+03 3.530298818e+02 6.644448737e+02 1.66 1.340167860e+03 6.270072270e+02 1.122871952e+03 1.336170021e+03 1.332533898e+03 2.686200414e+02 6.413428752e+02 1.182284987e+03 3.256360871e+02 6.096341108e+02 1.68 1.241302973e+03 5.762689138e+02 1.043809981e+03 1.238966665e+03 1.236934349e+03 2.478232729e+02 5.874026470e+02 1.093898862e+03 3.007723806e+02 5.604429953e+02 1.70 1.149726304e+03 5.297062531e+02 9.699976416e+02 1.149114503e+03 1.148692399e+03 2.285279009e+02 5.380951347e+02 1.012266022e+03 2.781811043e+02 5.162872706e+02 1.72 1.065027075e+03 4.870907975e+02 9.007650656e+02 1.066020440e+03 1.067103104e+03 2.105727834e+02 4.931273852e+02 9.369232231e+02 2.576161009e+02 4.765822637e+02 1.74 9.867847175e+02 4.481664917e+02 8.356979574e+02 9.891477543e+02 9.915411244e+02 1.938356015e+02 4.522455451e+02 8.674241391e+02 2.388387731e+02 4.407742423e+02 1.76 9.145807690e+02 4.126522257e+02 7.745499611e+02 9.180077194e+02 9.214414555e+02 1.782267687e+02 4.152109360e+02 8.033460470e+02 2.216224984e+02 4.083732796e+02 1.78 8.480102533e+02 3.802471687e+02 7.171554230e+02 8.521532752e+02 8.562971356e+02 1.636733929e+02 3.817775967e+02 7.442824523e+02 2.057633633e+02 3.789751569e+02 1.80 7.866810863e+02 3.506396132e+02 6.633668834e+02 7.911719541e+02 7.956628591e+02 1.501063565e+02 3.516826416e+02 6.898311458e+02 1.910886703e+02 3.522573342e+02 1.82 7.302005669e+02 3.235196073e+02 6.130352235e+02 7.346790768e+02 7.391575868e+02 1.374579839e+02 3.246477063e+02 6.395940202e+02 1.774578809e+02 3.279463361e+02 1.84 6.781611052e+02 2.985945295e+02 5.660133184e+02 6.823106040e+02 6.864601028e+02 1.256651306e+02 3.003847160e+02 5.931890581e+02 1.647568781e+02 3.057795416e+02 1.86 6.301405483e+02 2.756049601e+02 5.221634274e+02 6.337184297e+02 6.372963112e+02 1.146728549e+02 2.786034911e+02 5.502621280e+02 1.528911566e+02 2.854898415e+02 1.88 5.857179524e+02 2.543365948e+02 4.813627771e+02 5.885699511e+02 5.914219498e+02 1.044369240e+02 2.590200351e+02 5.104919745e+02 1.417815366e+02 2.668127778e+02 1.90 5.444973172e+02 2.346243390e+02 4.435041146e+02 5.465547373e+02 5.486121573e+02 9.492369263e+01 2.413635453e+02 4.735910084e+02 1.313613262e+02 2.495021298e+02 1.92 5.061334883e+02 2.163478556e+02 4.084895763e+02 5.073994400e+02 5.086653917e+02 8.610679506e+01 2.253801936e+02 4.393090372e+02 1.215738187e+02 2.333474732e+02 1.94 4.703526598e+02 1.994208021e+02 3.762206638e+02 4.708824319e+02 4.714122040e+02 7.796230956e+01 2.108340703e+02 4.074394456e+02 1.123716375e+02 2.181884279e+02 1.96 4.369574633e+02 1.837773300e+02 3.465904926e+02 4.368374115e+02 4.367173596e+02 7.046537889e+01 1.975091073e+02 3.778179713e+02 1.037176223e+02 2.039185523e+02 1.98 4.058104844e+02 1.693606471e+02 3.194810059e+02 4.051407960e+02 4.044711075e+02 6.358917522e+01 1.852145534e+02 3.503094243e+02 9.558450739e+01 1.904744107e+02 2.00 3.768033620e+02 1.561155066e+02 2.947626837e+02 3.756883299e+02 3.745732979e+02 5.730478990e+01 1.737903537e+02 3.247895968e+02 8.795228043e+01 1.778146804e+02 2.02 3.498308827e+02 1.439838660e+02 2.722948436e+02 3.483755172e+02 3.469201517e+02 5.158123852e+01 1.631077834e+02 3.011341739e+02 8.080421440e+01 1.659027057e+02 2.04 3.247814574e+02 1.329035824e+02 2.519263272e+02 3.230904119e+02 3.213993664e+02 4.638553249e+01 1.530657950e+02 2.792178296e+02 7.412365569e+01 1.547000521e+02 2.06 3.015374962e+02 1.228087720e+02 2.334966850e+02 2.997138936e+02 2.978902910e+02 4.168283682e+01 1.435868608e+02 2.589181679e+02 6.789276291e+01 1.441662643e+02 2.08 2.799783172e+02 1.136306683e+02 2.168380048e+02 2.781219108e+02 2.762655044e+02 3.743673095e+01 1.346141294e+02 2.401205514e+02 6.209237203e+01 1.342598811e+02 2.10 2.599841142e+02 1.052987931e+02 2.017775268e+02 2.581886160e+02 2.563931178e+02 3.360959190e+01 1.261079224e+02 2.227222490e+02 5.670208988e+01 1.249398585e+02 2.12 2.414407230e+02 9.774238890e+01 1.881411269e+02 2.397902386e+02 2.381397543e+02 3.016312141e+01 1.180397736e+02 2.066345102e+02 5.170048375e+01 1.161673111e+02 2.14 2.242445427e+02 9.089194547e+01 1.757575873e+02 2.228092699e+02 2.213739970e+02 2.705903756e+01 1.103859450e+02 1.917815253e+02 4.706538777e+01 1.079073219e+02 2.16 2.083064423e+02 8.468050149e+01 1.644633017e+02 2.071381457e+02 2.059698491e+02 2.425994277e+01 1.031237618e+02 1.780966588e+02 4.277433021e+01 1.001303716e+02 2.18 1.935531108e+02 7.904430536e+01 1.541067814e+02 1.926813268e+02 1.918095427e+02 2.173035763e+01 9.623116739e+01 1.655180156e+02 3.880506459e+01 9.281280857e+01 2.20 1.799246615e+02 7.392254763e+01 1.445523065e+02 1.793548854e+02 1.787851093e+02 1.943786390e+01 8.968754336e+01 1.539851723e+02 3.513615269e+01 8.593593143e+01 2.22 1.673688843e+02 6.925640875e+01 1.356825855e+02 1.670838011e+02 1.667987178e+02 1.735422532e+01 8.347463976e+01 1.434368572e+02 3.174750347e+01 7.948386482e+01 2.24 1.558347823e+02 6.498838132e+01 1.274010348e+02 1.557986904e+02 1.557625986e+02 1.545625663e+01 7.757728893e+01 1.338090460e+02 2.862073406e+01 7.344123490e+01 2.26 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