# 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 = Cd3Zn # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 9.207383197e+03 nan nan 0.88 8.002537988e+03 nan nan 0.90 6.979555425e+03 nan nan 0.92 6.108281515e+03 nan nan 0.94 5.362983419e+03 9.116756124e+03 nan 0.96 4.723176524e+03 8.013375474e+03 9.493763284e+03 0.98 4.171600603e+03 7.062820110e+03 8.385842226e+03 1.00 3.694152034e+03 6.243052591e+03 7.432153663e+03 1.02 3.279143603e+03 5.534862678e+03 6.608777860e+03 1.04 2.916315927e+03 4.922846780e+03 5.893046322e+03 1.06 2.597553002e+03 4.393123952e+03 5.264244430e+03 1.08 2.317023810e+03 3.931833012e+03 4.707289015e+03 1.10 2.069935158e+03 3.525698889e+03 4.212864725e+03 1.12 1.851761578e+03 3.164103995e+03 3.773979431e+03 1.14 1.658534770e+03 2.840513746e+03 3.384245173e+03 1.16 1.487159801e+03 2.551238095e+03 3.037859879e+03 1.18 1.335208731e+03 2.293380673e+03 2.729894315e+03 1.20 1.200424077e+03 2.064096407e+03 2.456113308e+03 1.22 1.080611806e+03 1.860437478e+03 2.212619531e+03 1.24 9.738144811e+02 1.679321575e+03 1.995784162e+03 1.26 8.784546389e+02 1.517727928e+03 1.802284929e+03 1.28 7.933165796e+02 1.373065017e+03 1.629356698e+03 1.30 7.173717756e+02 1.243406321e+03 1.474984991e+03 1.32 6.496118639e+02 1.127329546e+03 1.337618724e+03 1.34 5.890070391e+02 1.023619410e+03 1.215712227e+03 1.36 5.345551291e+02 9.311812141e+02 1.107576849e+03 1.38 4.853415403e+02 8.489945564e+02 1.011406142e+03 1.40 4.405905354e+02 7.759992935e+02 9.253437524e+02 1.42 3.997191437e+02 7.110237378e+02 8.476230668e+02 1.44 3.623620495e+02 6.528144371e+02 7.767763194e+02 1.46 3.283165780e+02 6.001311417e+02 7.118091845e+02 1.48 2.974343888e+02 5.518767175e+02 6.521787700e+02 1.50 2.695540871e+02 5.072146620e+02 5.975646465e+02 1.52 2.444886166e+02 4.656064877e+02 5.476779471e+02 1.54 2.220254443e+02 4.267539310e+02 5.022202420e+02 1.56 2.019292209e+02 3.905030624e+02 4.608877246e+02 1.58 1.839474147e+02 3.567538916e+02 4.233701634e+02 1.60 1.678196673e+02 3.254133068e+02 3.893409982e+02 1.62 1.532909898e+02 2.963901058e+02 3.584486732e+02 1.64 1.401276222e+02 2.695990865e+02 3.303217046e+02 1.66 1.281328228e+02 2.449630021e+02 3.045882370e+02 1.68 1.171585268e+02 2.224098791e+02 2.809049667e+02 1.70 1.071068013e+02 2.018663559e+02 2.589886519e+02 1.72 9.791601003e+01 1.832514314e+02 2.386372046e+02 1.74 8.953997594e+01 1.664738396e+02 2.197249975e+02 1.76 8.193486136e+01 1.514316985e+02 2.021713915e+02 1.78 7.505445830e+01 1.380127699e+02 1.859070843e+02 1.80 6.884940347e+01 1.260951042e+02 1.708606157e+02 1.82 6.326771540e+01 1.155481831e+02 1.569582531e+02 1.84 5.825571605e+01 1.062347303e+02 1.441266043e+02 1.86 5.375923052e+01 9.801337596e+01 1.322958513e+02 1.88 4.972494096e+01 9.074228039e+01 1.214029953e+02 1.90 4.610162421e+01 8.428354301e+01 1.113940968e+02 1.92 4.284090913e+01 7.850776785e+01 1.022242771e+02 1.94 3.989734165e+01 7.329787592e+01 9.385486803e+01 1.96 3.722805751e+01 6.855188624e+01 8.624881281e+01 1.98 3.479281257e+01 6.418572404e+01 7.936687591e+01 2.00 3.255474855e+01 6.013639580e+01 7.316608547e+01 2.02 3.048149596e+01 5.636251154e+01 6.759948748e+01 2.04 2.854601602e+01 5.283933817e+01 6.261620770e+01 2.06 2.672661781e+01 4.955069579e+01 5.816169023e+01 2.08 2.500605228e+01 4.648314511e+01 5.417821694e+01 2.10 2.337050072e+01 4.362401069e+01 5.060585155e+01 2.12 2.180938240e+01 4.096066621e+01 4.738397163e+01 2.14 2.031564952e+01 3.847995288e+01 4.445351477e+01 2.16 1.888541230e+01 3.616792409e+01 4.175991543e+01 2.18 1.751667479e+01 3.400991111e+01 3.925639325e+01 2.20 1.620808819e+01 3.199074704e+01 3.690679135e+01 2.22 1.495843340e+01 3.009510514e+01 3.468677367e+01 2.24 1.376655344e+01 2.830796256e+01 3.258238443e+01 2.26 1.263134532e+01 2.661517892e+01 3.058626145e+01 2.28 1.155174933e+01 2.500413988e+01 2.869359928e+01 2.30 1.052673857e+01 2.346436383e+01 2.690001467e+01 2.32 9.555308808e+00 2.198791834e+01 2.520115788e+01 2.34 8.636468775e+00 2.056947775e+01 2.359278536e+01 2.36 7.769230773e+00 1.920592766e+01 2.207083381e+01 2.38 6.952601671e+00 1.789561291e+01 2.063146082e+01 2.40 6.185574251e+00 1.663754643e+01 1.927103174e+01 2.42 5.467118958e+00 1.543091674e+01 1.798604363e+01 2.44 4.796176056e+00 1.427494440e+01 1.677300680e+01 2.46 4.171648254e+00 1.316887862e+01 1.562833556e+01 2.48 3.592393845e+00 1.211199689e+01 1.454829721e+01 2.50 3.057220415e+00 1.110359809e+01 1.352902371e+01 2.52 2.564879225e+00 1.014299531e+01 1.256655591e+01 2.54 2.114060318e+00 9.229508669e+00 1.165690381e+01 2.56 1.703388492e+00 8.362458401e+00 1.079612354e+01 2.58 1.331420214e+00 7.541157998e+00 9.980410935e+00 2.60 9.966416224e-01 6.764907538e+00 9.206207657e+00 2.62 6.974677340e-01 6.032987150e+00 8.470311089e+00 2.64 4.322429971e-01 5.344650643e+00 7.769974104e+00 2.66 1.992433241e-01 4.699119336e+00 7.102975928e+00 2.68 -3.320255438e-03 4.095576103e+00 6.467643362e+00 2.70 -1.772961953e-01 3.533159686e+00 5.862806701e+00 2.72 -3.245851681e-01 3.010959331e+00 5.287690128e+00 2.74 -4.471308417e-01 2.528009791e+00 4.741761382e+00 2.76 -5.469086320e-01 2.083286798e+00 4.224588243e+00 2.78 -6.259124083e-01 1.675703064e+00 3.735748005e+00 2.80 -6.861391846e-01 1.304104927e+00 3.274799568e+00 2.82 -7.295718967e-01 9.672697459e-01 2.841286809e+00 2.84 -7.581604550e-01 6.639041793e-01 2.434741991e+00 2.86 -7.738013707e-01 3.926434805e-01 2.054684115e+00 2.88 -7.783163836e-01 1.520519649e-01 1.700616093e+00 2.90 -7.734306836e-01 -5.937518720e-02 1.372021969e+00 2.92 -7.607515088e-01 -2.432086200e-01 1.068364238e+00 2.94 -7.417481307e-01 -4.010798096e-01 7.890813042e-01 2.96 -7.177344946e-01 -5.346742142e-01 5.335850861e-01 2.98 -6.898560520e-01 -6.457224055e-01 3.012587843e-01 3.00 -6.590825659e-01 -7.359890402e-01 9.145484786e-02 3.02 -6.262088025e-01 -8.072595717e-01 -9.650684294e-02 3.04 -5.918649057e-01 -8.613246617e-01 -2.633405435e-01 3.06 -5.565376868e-01 -8.999623388e-01 -4.097959284e-01 3.08 -5.206027795e-01 -9.249180783e-01 -5.366590559e-01 3.10 -4.843654343e-01 -9.378831431e-01 -6.447529736e-01 3.12 -4.481046942e-01 -9.404717488e-01 -7.349379234e-01 3.14 -4.121124990e-01 -9.341978942e-01 -8.081111030e-01 3.16 -3.767175383e-01 -9.204530381e-01 -8.652059373e-01 3.18 -3.422858247e-01 -9.004861881e-01 -9.071908145e-01 3.20 -3.091976373e-01 -8.753883627e-01 -9.350672409e-01 3.22 -2.778112736e-01 -8.460837155e-01 -9.498673697e-01 3.24 -2.484297986e-01 -8.133297468e-01 -9.526508630e-01 3.26 -2.212806927e-01 -7.777287572e-01 -9.445010498e-01 3.28 -1.965065460e-01 -7.397517579e-01 -9.265203500e-01 3.30 -1.741613418e-01 -6.997741680e-01 -8.998249436e-01 3.32 -1.542105340e-01 -6.581197021e-01 -8.655386755e-01 3.34 -1.365356033e-01 -6.151052746e-01 -8.247862019e-01 3.36 -1.209442288e-01 -5.710768901e-01 -7.786853995e-01 3.38 -1.071870432e-01 -5.264267580e-01 -7.283390809e-01 3.40 -9.498127693e-02 -4.815876849e-01 -6.748260835e-01 3.42 -8.404018809e-02 -4.370112421e-01 -6.191918218e-01 3.44 -7.410489576e-02 -3.931439107e-01 -5.624384258e-01 3.46 -6.497247942e-02 -3.504115962e-01 -5.055146129e-01 3.48 -5.651236051e-02 -3.092117444e-01 -4.493054753e-01 3.50 -4.866449963e-02 -2.699079407e-01 -3.946223905e-01 3.52 -4.141977690e-02 -2.328247692e-01 -3.421932940e-01 3.54 -3.479265256e-02 -1.982427261e-01 -2.926535754e-01 3.56 -2.879997282e-02 -1.663933104e-01 -2.465378850e-01 3.58 -2.345152821e-02 -1.374544476e-01 -2.042731548e-01 3.60 -1.874762670e-02 -1.115464416e-01 -1.661731566e-01 3.62 -1.467846643e-02 -8.872868514e-02 -1.324349397e-01 3.64 -1.122386158e-02 -6.899741194e-02 -1.031375105e-01 3.66 -8.353269366e-03 -5.228482339e-02 -7.824314806e-02 3.68 -6.026204198e-03 -3.845998426e-02 -5.760178424e-02 3.70 -4.193127786e-03 -2.733193035e-02 -4.095891299e-02 3.72 -2.796892864e-03 -1.865545642e-02 -2.796750980e-02 3.74 -1.774786920e-03 -1.214001860e-02 -1.820439478e-02 3.76 -1.061164504e-03 -7.462043193e-03 -1.119129560e-02 3.78 -5.905663165e-04 -4.280622667e-03 -6.420462214e-03 3.80 -3.011011207e-04 -2.256037316e-03 -3.383953112e-03 3.82 -1.377267662e-04 -1.069745293e-03 -1.604600507e-03 3.84 -5.494539435e-05 -4.435123216e-04 -6.652663386e-04 3.86 -1.838800245e-05 -1.544741681e-04 -2.317110786e-04 3.88 -4.884299026e-06 -4.266233635e-05 -6.399349648e-05 3.90 -9.493523031e-07 -8.567434685e-06 -1.285115185e-05 3.92 -1.192124060e-07 -1.092030566e-06 -1.638045848e-06 3.94 -7.910632082e-09 -7.051422046e-08 -1.057713307e-07 3.96 -1.961464197e-10 -1.547071657e-09 -2.320607485e-09 3.98 -9.456071312e-13 -5.416917301e-12 -8.125375951e-12 4.00 -2.195200707e-16 -7.271995729e-16 -1.090799359e-15 4.02 -6.631785114e-23 -1.770435298e-22 -2.655652947e-22 4.04 -5.259862584e-38 -1.402630022e-37 -2.103945034e-37 4.06 -3.424981933e-111 -9.133285155e-111 -1.369992773e-110 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 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