# 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 = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # 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 3.945594826e+04 nan nan nan nan 0.76 nan nan nan nan nan 3.368507715e+04 nan nan nan nan 0.78 nan nan nan nan nan 2.886112104e+04 nan nan 3.774685792e+04 nan 0.80 nan nan nan nan nan 2.481570687e+04 nan nan 3.242160401e+04 nan 0.82 nan nan nan nan nan 2.140800937e+04 nan nan 2.794692549e+04 nan 0.84 nan nan nan nan nan 1.852290552e+04 nan nan 2.418022729e+04 nan 0.86 nan 3.720218400e+04 nan nan nan 1.606995564e+04 3.838856345e+04 nan 2.100057337e+04 3.739789954e+04 0.88 nan 3.241242419e+04 nan nan nan 1.397881350e+04 3.346761081e+04 nan 1.830523519e+04 3.255659708e+04 0.90 nan 2.832273749e+04 nan nan nan 1.219642023e+04 2.924097576e+04 nan 1.600903686e+04 2.842857621e+04 0.92 nan 2.482272346e+04 nan nan nan 1.068168504e+04 2.560516684e+04 nan 1.404237509e+04 2.490990514e+04 0.94 nan 2.181705347e+04 3.675108283e+04 nan nan 9.395917413e+03 2.248027059e+04 3.874478821e+04 1.234826486e+04 2.190097918e+04 0.96 3.842180059e+04 1.922389445e+04 3.241566406e+04 3.841418350e+04 3.841360327e+04 8.299583621e+03 1.979408070e+04 3.417613596e+04 1.088014943e+04 1.931508715e+04 0.98 3.398183193e+04 1.697779879e+04 2.867462073e+04 3.395469235e+04 3.394410631e+04 7.354584677e+03 1.748128775e+04 3.022020959e+04 9.601714337e+03 1.708213855e+04 1.00 3.012066500e+04 1.502722588e+04 2.542226946e+04 3.008931869e+04 3.007407752e+04 6.529480400e+03 1.548521830e+04 2.677593792e+04 8.486174401e+03 1.514378981e+04 1.02 2.674697875e+04 1.333064873e+04 2.257886085e+04 2.672437219e+04 2.671041694e+04 5.802657050e+03 1.375658805e+04 2.376575337e+04 7.513362454e+03 1.345062412e+04 1.04 2.379155946e+04 1.185158911e+04 2.008335699e+04 2.378400439e+04 2.377626373e+04 5.160128590e+03 1.225117085e+04 2.113034095e+04 6.665840472e+03 1.196339495e+04 1.06 2.119931863e+04 1.055823041e+04 1.788860696e+04 2.120771714e+04 2.120887399e+04 4.591729751e+03 1.093081296e+04 1.882238887e+04 5.927094423e+03 1.065374455e+04 1.08 1.892528803e+04 9.424505949e+03 1.595961407e+04 1.894592036e+04 1.895530300e+04 4.089550570e+03 9.765734401e+03 1.680227654e+04 5.281986867e+03 9.501739917e+03 1.10 1.693058890e+04 8.428459274e+03 1.426725113e+04 1.695626594e+04 1.697030659e+04 3.647013420e+03 8.734703634e+03 1.503419328e+04 4.717433089e+03 8.490821801e+03 1.12 1.517990359e+04 7.551705820e+03 1.278299367e+04 1.520261545e+04 1.521679103e+04 3.257729574e+03 7.822425294e+03 1.348451925e+04 4.222644265e+03 7.603923216e+03 1.14 1.364199073e+04 6.779106078e+03 1.147963008e+04 1.365505610e+04 1.366555581e+04 2.915202158e+03 7.015897198e+03 1.212254913e+04 3.788410308e+03 6.823355826e+03 1.16 1.228867818e+04 6.096890056e+03 1.033339453e+04 1.228847279e+04 1.229295934e+04 2.613178814e+03 6.302644401e+03 1.092090990e+04 3.406490528e+03 6.132791134e+03 1.18 1.109271396e+04 5.492180163e+03 9.323915108e+03 1.108028754e+04 1.107822407e+04 2.346142761e+03 5.670914753e+03 9.855528651e+03 3.069634124e+03 5.519357427e+03 1.20 1.002901878e+04 4.954201973e+03 8.432449969e+03 1.000966628e+04 1.000212554e+04 2.109499282e+03 5.110178560e+03 8.906438908e+03 2.771508338e+03 4.973790614e+03 1.22 9.077792342e+03 4.474642705e+03 7.641205503e+03 9.058136962e+03 9.047184089e+03 1.899465060e+03 4.611187241e+03 8.058095534e+03 2.506529070e+03 4.488925757e+03 1.24 8.225012145e+03 4.046531855e+03 6.933666099e+03 8.209876638e+03 8.197866217e+03 1.712691859e+03 4.166079664e+03 7.298416173e+03 2.269908809e+03 4.058611678e+03 1.26 7.459917038e+03 3.663417888e+03 6.295833974e+03 7.451381811e+03 7.440468749e+03 1.546093255e+03 3.768564385e+03 6.617312376e+03 2.057676298e+03 3.677033835e+03 1.28 6.773203405e+03 3.319622869e+03 5.717792580e+03 6.771274623e+03 6.763165137e+03 1.397078775e+03 3.413829189e+03 6.006003521e+03 1.866562019e+03 3.338456079e+03 1.30 6.156562203e+03 3.010651459e+03 5.193539545e+03 6.160098989e+03 6.155961963e+03 1.263695722e+03 3.097956882e+03 5.456887030e+03 1.693912338e+03 3.037382801e+03 1.32 5.602455684e+03 2.733127056e+03 4.719074547e+03 5.609840772e+03 5.610229514e+03 1.144446842e+03 2.817133418e+03 4.963340035e+03 1.537534314e+03 2.768800068e+03 1.34 5.104125008e+03 2.484248651e+03 4.290871523e+03 5.113532015e+03 5.118247601e+03 1.038058800e+03 2.567382413e+03 4.519369283e+03 1.395572272e+03 2.528316646e+03 1.36 4.655426344e+03 2.261250768e+03 3.905437075e+03 4.665085785e+03 4.673166280e+03 9.433868501e+02 2.344754047e+03 4.119444797e+03 1.266542547e+03 2.312051205e+03 1.38 4.250736830e+03 2.061293372e+03 3.559116037e+03 4.259280662e+03 4.269216257e+03 8.593092108e+02 2.145557695e+03 3.758655891e+03 1.149325087e+03 2.116555086e+03 1.40 3.885090107e+03 1.881651668e+03 3.248008729e+03 3.891735558e+03 3.901856359e+03 7.846491116e+02 1.966483114e+03 3.432857831e+03 1.043022603e+03 1.938886670e+03 1.42 3.554166633e+03 1.719949488e+03 2.968161149e+03 3.558739651e+03 3.567631140e+03 7.182017575e+02 1.804639333e+03 3.138577624e+03 9.468188779e+02 1.776573813e+03 1.44 3.254260682e+03 1.574254867e+03 2.715899653e+03 3.257066342e+03 3.263804239e+03 6.588123691e+02 1.657559213e+03 2.872864019e+03 8.599201213e+02 1.627559794e+03 1.46 2.982412018e+03 1.442957441e+03 2.488113461e+03 2.983884660e+03 2.988013111e+03 6.054478712e+02 1.523154086e+03 2.633196307e+03 7.815649143e+02 1.490283798e+03 1.48 2.736354424e+03 1.324562022e+03 2.282287776e+03 2.736714024e+03 2.738117808e+03 5.572188098e+02 1.399698912e+03 2.417318321e+03 7.110464522e+02 1.363678054e+03 1.50 2.514123340e+03 1.217573570e+03 2.096278845e+03 2.513309553e+03 2.512123125e+03 5.133539070e+02 1.285855024e+03 2.222989563e+03 6.477067586e+02 1.246974008e+03 1.52 2.313698478e+03 1.120501605e+03 1.928138255e+03 2.311547659e+03 2.308107295e+03 4.731988991e+02 1.180647828e+03 2.047851046e+03 5.909125143e+02 1.139532485e+03 1.54 2.132927254e+03 1.031941506e+03 1.776139214e+03 2.129369223e+03 2.124164299e+03 4.362598162e+02 1.083392613e+03 1.889483685e+03 5.400336166e+02 1.040822606e+03 1.56 1.969567184e+03 9.506638495e+02 1.638797418e+03 1.964716247e+03 1.958331239e+03 4.022164229e+02 9.935825708e+02 1.745550062e+03 4.944320988e+02 9.504251108e+02 1.58 1.821343516e+03 8.756686301e+02 1.514756219e+03 1.815510822e+03 1.808572815e+03 3.708630952e+02 9.107816860e+02 1.613949310e+03 4.534767115e+02 8.679818705e+02 1.60 1.686047265e+03 8.062088424e+02 1.402626212e+03 1.679729753e+03 1.672865153e+03 3.420233192e+02 8.345697477e+02 1.492946813e+03 4.165799164e+02 7.931240974e+02 1.62 1.561703628e+03 7.417910425e+02 1.300930800e+03 1.555536725e+03 1.549324028e+03 3.155077776e+02 7.645322500e+02 1.381234886e+03 3.832346206e+02 7.254351024e+02 1.64 1.446758475e+03 6.821217026e+02 1.208160066e+03 1.441405729e+03 1.436319820e+03 2.911112939e+02 7.002582811e+02 1.277895056e+03 3.530299150e+02 6.644449195e+02 1.66 1.340167917e+03 6.270072648e+02 1.122872004e+03 1.336170079e+03 1.332533955e+03 2.686200721e+02 6.413429169e+02 1.182285041e+03 3.256361185e+02 6.096341546e+02 1.68 1.241303028e+03 5.762689499e+02 1.043810030e+03 1.238966719e+03 1.236934404e+03 2.478233020e+02 5.874026869e+02 1.093898913e+03 3.007724103e+02 5.604430371e+02 1.70 1.149726357e+03 5.297062876e+02 9.699976883e+02 1.149114556e+03 1.148692451e+03 2.285279284e+02 5.380951729e+02 1.012266071e+03 2.781811324e+02 5.162873105e+02 1.72 1.065027126e+03 4.870908305e+02 9.007651102e+02 1.066020490e+03 1.067103154e+03 2.105728095e+02 4.931274218e+02 9.369232699e+02 2.576161274e+02 4.765823016e+02 1.74 9.867847657e+02 4.481665232e+02 8.356980001e+02 9.891478024e+02 9.915411723e+02 1.938356262e+02 4.522455800e+02 8.674241839e+02 2.388387982e+02 4.407742784e+02 1.76 9.145808153e+02 4.126522557e+02 7.745500019e+02 9.180077655e+02 9.214415014e+02 1.782267921e+02 4.152109695e+02 8.033460899e+02 2.216225222e+02 4.083733139e+02 1.78 8.480102976e+02 3.802471974e+02 7.171554622e+02 8.521533194e+02 8.562971795e+02 1.636734152e+02 3.817776287e+02 7.442824935e+02 2.057633858e+02 3.789751895e+02 1.80 7.866811289e+02 3.506396405e+02 6.633669209e+02 7.911719964e+02 7.956629012e+02 1.501063776e+02 3.516826721e+02 6.898311853e+02 1.910886916e+02 3.522573652e+02 1.82 7.302006077e+02 3.235196334e+02 6.130352596e+02 7.346791174e+02 7.391576271e+02 1.374580040e+02 3.246477354e+02 6.395940580e+02 1.774579011e+02 3.279463655e+02 1.84 6.781611443e+02 2.985945544e+02 5.660133531e+02 6.823106429e+02 6.864601415e+02 1.256651497e+02 3.003847437e+02 5.931890942e+02 1.647568972e+02 3.057795696e+02 1.86 6.301405857e+02 2.756049838e+02 5.221634607e+02 6.337184670e+02 6.372963483e+02 1.146728731e+02 2.786035174e+02 5.502621627e+02 1.528911747e+02 2.854898681e+02 1.88 5.857179884e+02 2.543366175e+02 4.813628092e+02 5.885699869e+02 5.914219854e+02 1.044369413e+02 2.590200602e+02 5.104920078e+02 1.417815537e+02 2.668128029e+02 1.90 5.444973516e+02 2.346243606e+02 4.435041455e+02 5.465547716e+02 5.486121915e+02 9.492370914e+01 2.413635692e+02 4.735910403e+02 1.313613424e+02 2.495021537e+02 1.92 5.061335213e+02 2.163478762e+02 4.084896060e+02 5.073994729e+02 5.086654246e+02 8.610681080e+01 2.253802162e+02 4.393090677e+02 1.215738341e+02 2.333474958e+02 1.94 4.703526915e+02 1.994208218e+02 3.762206923e+02 4.708824635e+02 4.714122356e+02 7.796232456e+01 2.108340918e+02 4.074394749e+02 1.123716521e+02 2.181884494e+02 1.96 4.369574937e+02 1.837773488e+02 3.465905201e+02 4.368374418e+02 4.367173900e+02 7.046539320e+01 1.975091278e+02 3.778179994e+02 1.037176362e+02 2.039185728e+02 1.98 4.058105136e+02 1.693606651e+02 3.194810323e+02 4.051408251e+02 4.044711367e+02 6.358918887e+01 1.852145728e+02 3.503094513e+02 9.558452059e+01 1.904744302e+02 2.00 3.768033899e+02 1.561155237e+02 2.947627091e+02 3.756883579e+02 3.745733259e+02 5.730480293e+01 1.737903720e+02 3.247896226e+02 8.795229298e+01 1.778146989e+02 2.02 3.498309096e+02 1.439838824e+02 2.722948680e+02 3.483755441e+02 3.469201786e+02 5.158125096e+01 1.631078009e+02 3.011341986e+02 8.080422633e+01 1.659027233e+02 2.04 3.247814831e+02 1.329035980e+02 2.519263506e+02 3.230904377e+02 3.213993923e+02 4.638554436e+01 1.530658115e+02 2.792178533e+02 7.412366705e+01 1.547000688e+02 2.06 3.015375210e+02 1.228087869e+02 2.334967074e+02 2.997139184e+02 2.978903159e+02 4.168284815e+01 1.435868765e+02 2.589181907e+02 6.789277373e+01 1.441662803e+02 2.08 2.799783409e+02 1.136306825e+02 2.168380262e+02 2.781219346e+02 2.762655283e+02 3.743674176e+01 1.346141443e+02 2.401205733e+02 6.209238233e+01 1.342598963e+02 2.10 2.599841370e+02 1.052988066e+02 2.017775474e+02 2.581886388e+02 2.563931407e+02 3.360960221e+01 1.261079366e+02 2.227222700e+02 5.670209969e+01 1.249398730e+02 2.12 2.414407448e+02 9.774240179e+01 1.881411465e+02 2.397902606e+02 2.381397764e+02 3.016313125e+01 1.180397871e+02 2.066345303e+02 5.170049310e+01 1.161673249e+02 2.14 2.242445637e+02 9.089195775e+01 1.757576060e+02 2.228092909e+02 2.213740182e+02 2.705904695e+01 1.103859578e+02 1.917815446e+02 4.706539667e+01 1.079073351e+02 2.16 2.083064624e+02 8.468051317e+01 1.644633196e+02 2.071381659e+02 2.059698694e+02 2.425995174e+01 1.031237740e+02 1.780966773e+02 4.277433869e+01 1.001303841e+02 2.18 1.935531302e+02 7.904431646e+01 1.541067985e+02 1.926813462e+02 1.918095622e+02 2.173036618e+01 9.623117900e+01 1.655180333e+02 3.880507269e+01 9.281282055e+01 2.20 1.799246801e+02 7.392255818e+01 1.445523228e+02 1.793549040e+02 1.787851279e+02 1.943787207e+01 8.968755442e+01 1.539851892e+02 3.513616041e+01 8.593594287e+01 2.22 1.673689022e+02 6.925641877e+01 1.356826011e+02 1.670838189e+02 1.667987356e+02 1.735423312e+01 8.347465030e+01 1.434368735e+02 3.174751083e+01 7.948387575e+01 2.24 1.558347993e+02 6.498839084e+01 1.274010497e+02 1.557987075e+02 1.557626157e+02 1.545626407e+01 7.757729897e+01 1.338090615e+02 2.862074107e+01 7.344124534e+01 2.26 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