# 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 = S # 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 3.384761620e+04 nan nan nan nan 0.76 nan nan nan nan nan 2.882915122e+04 nan nan nan nan 0.78 nan nan nan nan nan 2.463222801e+04 nan nan 3.224367992e+04 nan 0.80 nan nan nan nan nan 2.111249547e+04 nan nan 2.771943432e+04 nan 0.82 nan nan nan nan nan 1.816913932e+04 nan nan 2.392643935e+04 nan 0.84 nan nan nan nan nan 1.572019673e+04 nan nan 2.072412512e+04 nan 0.86 nan 3.182551398e+04 nan nan nan 1.368002238e+04 3.275698446e+04 nan 1.799879300e+04 3.194207186e+04 0.88 nan 2.770975240e+04 nan nan nan 1.195990111e+04 2.851121278e+04 nan 1.566216444e+04 2.785489590e+04 0.90 nan 2.419150424e+04 nan nan nan 1.048338326e+04 2.491113723e+04 nan 1.365182839e+04 2.436743740e+04 0.92 nan 2.117902574e+04 nan nan nan 9.199674800e+03 2.184701912e+04 nan 1.192405052e+04 2.136637159e+04 0.94 nan 1.859194295e+04 3.152150161e+04 nan nan 8.078348148e+03 1.921959536e+04 3.315661054e+04 1.044162607e+04 1.876397745e+04 0.96 3.286087228e+04 1.636174747e+04 2.772642032e+04 3.288207654e+04 3.288768909e+04 7.098264997e+03 1.694447237e+04 2.917002442e+04 9.168812527e+03 1.650154281e+04 0.98 2.898797971e+04 1.443372337e+04 2.443903566e+04 2.903115695e+04 2.905226429e+04 6.243977028e+03 1.495973725e+04 2.573318470e+04 8.073204255e+03 1.454068384e+04 1.00 2.563989122e+04 1.276221298e+04 2.159826143e+04 2.568745932e+04 2.571466274e+04 5.502240787e+03 1.322505297e+04 2.277008864e+04 7.127983304e+03 1.284679899e+04 1.02 2.274406583e+04 1.131110010e+04 1.914233778e+04 2.277836978e+04 2.280186966e+04 4.859254835e+03 1.171121874e+04 2.020944782e+04 6.311559049e+03 1.138118285e+04 1.04 2.023734317e+04 1.004947547e+04 1.701571239e+04 2.024584806e+04 2.025863899e+04 4.300869029e+03 1.039101154e+04 1.798734524e+04 5.604977560e+03 1.010470284e+04 1.06 1.805812643e+04 8.947524443e+03 1.517236574e+04 1.803942706e+04 1.803881480e+04 3.814249630e+03 9.238008799e+03 1.604703492e+04 4.991565742e+03 8.985614064e+03 1.08 1.614719445e+04 7.980042267e+03 1.357063726e+04 1.611216177e+04 1.609976441e+04 3.388870839e+03 8.228364243e+03 1.434145503e+04 4.456923898e+03 8.002402014e+03 1.10 1.445853473e+04 7.128552446e+03 1.217018739e+04 1.442247935e+04 1.440267265e+04 3.016378264e+03 7.341176145e+03 1.283527313e+04 3.988391041e+03 7.139587875e+03 1.12 1.296180227e+04 6.377788756e+03 1.093272523e+04 1.293530951e+04 1.291327900e+04 2.689351334e+03 6.558969790e+03 1.150221642e+04 3.575261899e+03 6.384299343e+03 1.14 1.163426876e+04 5.713409769e+03 9.826696658e+03 1.162118809e+04 1.160164615e+04 2.400916280e+03 5.868490139e+03 1.032063159e+04 3.208844866e+03 5.724101570e+03 1.16 1.045641944e+04 5.123298184e+03 8.832356127e+03 1.045602336e+04 1.044263449e+04 2.145663521e+03 5.260359916e+03 9.271996364e+03 2.882188013e+03 5.146491716e+03 1.18 9.410800998e+03 4.598708365e+03 7.939321731e+03 9.420243241e+03 9.415430112e+03 1.919835335e+03 4.726736453e+03 8.340661628e+03 2.589805325e+03 4.639567224e+03 1.20 8.481818255e+03 4.133399587e+03 7.140285774e+03 8.497310345e+03 8.501814100e+03 1.720556894e+03 4.259245903e+03 7.512956995e+03 2.327138358e+03 4.192823093e+03 1.22 7.655515033e+03 3.721602976e+03 6.428285837e+03 7.672920014e+03 7.685419861e+03 1.545395020e+03 3.849059045e+03 6.776210815e+03 2.090526268e+03 3.797131803e+03 1.24 6.919034357e+03 3.357103438e+03 5.795922551e+03 6.934910325e+03 6.952338008e+03 1.392044605e+03 3.487683477e+03 6.119025944e+03 1.877364433e+03 3.444344646e+03 1.26 6.261041900e+03 3.033696341e+03 5.234832556e+03 6.273341675e+03 6.291894389e+03 1.257992737e+03 3.167457339e+03 5.531955183e+03 1.685746445e+03 3.127535809e+03 1.28 5.671763693e+03 2.746019695e+03 4.736149309e+03 5.680044166e+03 5.696445897e+03 1.140550681e+03 2.881724808e+03 5.007330877e+03 1.513984805e+03 2.840929623e+03 1.30 5.142973771e+03 2.489935015e+03 4.291623042e+03 5.148056448e+03 5.160252391e+03 1.037106139e+03 2.624870601e+03 4.538863992e+03 1.360415927e+03 2.579773807e+03 1.32 4.668592557e+03 2.262083699e+03 3.894576927e+03 4.671433190e+03 4.678460502e+03 9.453570960e+02 2.392180622e+03 4.121418564e+03 1.223453605e+03 2.340709858e+03 1.34 4.244304877e+03 2.059233747e+03 3.539822589e+03 4.245097296e+03 4.246742571e+03 8.633372314e+02 2.179884486e+03 3.750377487e+03 1.101654287e+03 2.121651803e+03 1.36 3.866123068e+03 1.878012909e+03 3.222845785e+03 3.864427527e+03 3.861054382e+03 7.893289062e+02 1.985247029e+03 3.420826883e+03 9.936714002e+02 1.921088399e+03 1.38 3.529622157e+03 1.715046193e+03 2.939610065e+03 3.525000191e+03 3.517443595e+03 7.219655308e+02 1.806464943e+03 3.127379824e+03 8.981721191e+02 1.737789810e+03 1.40 3.229944885e+03 1.567265166e+03 2.686780545e+03 3.222368616e+03 3.211788394e+03 6.603848839e+02 1.642372167e+03 2.864528361e+03 8.137686714e+02 1.570868004e+03 1.42 2.961921050e+03 1.432142177e+03 2.461497094e+03 2.951874656e+03 2.939609802e+03 6.041266651e+02 1.492068086e+03 2.627149175e+03 7.390254304e+02 1.419681254e+03 1.44 2.720304689e+03 1.307816884e+03 2.260799046e+03 2.708805404e+03 2.696261031e+03 5.528464504e+02 1.354697324e+03 2.410994992e+03 6.725706774e+02 1.283591587e+03 1.46 2.500318387e+03 1.193155387e+03 2.081369549e+03 2.488827368e+03 2.477344410e+03 5.061575485e+02 1.229406437e+03 2.212980783e+03 6.132323001e+02 1.161823399e+03 1.48 2.298339582e+03 1.087597370e+03 1.919682796e+03 2.288434176e+03 2.279117354e+03 4.636155258e+02 1.115330418e+03 2.031108874e+03 5.601024779e+02 1.053437480e+03 1.50 2.112214141e+03 9.908274128e+02 1.772338681e+03 2.105115514e+03 2.098685238e+03 4.247388571e+02 1.011602515e+03 1.864103111e+03 5.124844274e+02 9.573348605e+02 1.52 1.940824640e+03 9.025300948e+02 1.636468971e+03 1.937120303e+03 1.933884133e+03 3.890480774e+02 9.174177599e+02 1.710958247e+03 4.697866589e+02 8.722798564e+02 1.54 1.783349204e+03 8.223150170e+02 1.510026348e+03 1.783059282e+03 1.782997412e+03 3.561186724e+02 8.320994095e+02 1.570694119e+03 4.314557011e+02 7.969517379e+02 1.56 1.638937369e+03 7.497065980e+02 1.391780647e+03 1.641708803e+03 1.644554664e+03 3.256269523e+02 7.551072037e+02 1.442346594e+03 3.969475546e+02 7.300325117e+02 1.58 1.506716377e+03 6.841438300e+02 1.281086668e+03 1.511970556e+03 1.517239202e+03 2.973550252e+02 6.859740611e+02 1.325006871e+03 3.657276246e+02 6.703233503e+02 1.60 1.385839665e+03 6.249885175e+02 1.177594568e+03 1.392854296e+03 1.399870232e+03 2.711445644e+02 6.242218086e+02 1.217808690e+03 3.373040485e+02 6.168488461e+02 1.62 1.275495780e+03 5.715460775e+02 1.081017883e+03 1.283457250e+03 1.291418749e+03 2.468471385e+02 5.693168244e+02 1.119881152e+03 3.112629680e+02 5.688758847e+02 1.64 1.174860112e+03 5.231021557e+02 9.910580076e+02 1.182942545e+03 1.191024979e+03 2.243130850e+02 5.206692410e+02 1.030341655e+03 2.872771199e+02 5.258109512e+02 1.66 1.083038996e+03 4.789737762e+02 9.074174780e+02 1.090514207e+03 1.097989418e+03 2.034019869e+02 4.776492300e+02 9.483369064e+02 2.650881761e+02 4.870685527e+02 1.68 9.990714785e+02 4.385645281e+02 8.298269466e+02 1.005400108e+03 1.011728738e+03 1.839962210e+02 4.396111753e+02 8.730802780e+02 2.444865874e+02 4.520291167e+02 1.70 9.219857666e+02 4.014045534e+02 7.580647072e+02 9.268514324e+02 9.317170981e+02 1.660099879e+02 4.059205595e+02 8.038623813e+02 2.253004590e+02 4.200697699e+02 1.72 8.508849694e+02 3.671599813e+02 6.919533623e+02 8.541781958e+02 8.574714223e+02 1.493867453e+02 3.759736709e+02 7.400570820e+02 2.073865522e+02 3.906210657e+02 1.74 7.850388899e+02 3.356121621e+02 6.313308953e+02 7.868114766e+02 7.885840633e+02 1.340848781e+02 3.492032096e+02 6.811483693e+02 1.906249725e+02 3.632295798e+02 1.76 7.239397860e+02 3.066171889e+02 5.760185461e+02 7.243443952e+02 7.247490044e+02 1.200632411e+02 3.250805000e+02 6.267477988e+02 1.749228661e+02 3.375974542e+02 1.78 6.672766192e+02 2.800656442e+02 5.258063759e+02 6.665119192e+02 6.657472192e+02 1.072755457e+02 3.031324666e+02 5.765634525e+02 1.602172305e+02 3.135667039e+02 1.80 6.148356545e+02 2.558552212e+02 4.804502641e+02 6.131153789e+02 6.113951033e+02 9.566944725e+01 2.829641265e+02 5.303373819e+02 1.464685647e+02 2.910528834e+02 1.82 5.664094608e+02 2.338748385e+02 4.396712953e+02 5.639535031e+02 5.614975453e+02 8.518624064e+01 2.642642678e+02 4.878047952e+02 1.336477575e+02 2.699843646e+02 1.84 5.217667704e+02 2.140000693e+02 4.031563685e+02 5.187993242e+02 5.158318779e+02 7.576075402e+01 2.467948150e+02 4.486914768e+02 1.217254313e+02 2.502821990e+02 1.86 4.806542649e+02 1.960939955e+02 3.705605372e+02 4.774011895e+02 4.741481141e+02 6.732150824e+01 2.303805363e+02 4.127277866e+02 1.106684275e+02 2.318597957e+02 1.88 4.428057854e+02 1.800097060e+02 3.415117921e+02 4.394895397e+02 4.361732939e+02 5.979122382e+01 2.149031627e+02 3.796658144e+02 1.004394261e+02 2.146260794e+02 1.90 4.079561581e+02 1.655941499e+02 3.156190474e+02 4.047874723e+02 4.016187866e+02 5.308777874e+01 2.002881642e+02 3.492933790e+02 9.099708824e+01 1.984904529e+02 1.92 3.758585985e+02 1.526930927e+02 2.924837409e+02 3.730245224e+02 3.701904463e+02 4.712574473e+01 1.864821619e+02 3.214380977e+02 8.229659177e+01 1.833691830e+02 1.94 3.463020567e+02 1.411561793e+02 2.717144222e+02 3.439512337e+02 3.416004107e+02 4.181863914e+01 1.734357412e+02 2.959587663e+02 7.429065591e+01 1.691918157e+02 1.96 3.191217115e+02 1.308402136e+02 2.529420788e+02 3.173497849e+02 3.155778582e+02 3.708199104e+01 1.610994414e+02 2.727307792e+02 6.693108401e+01 1.559050544e+02 1.98 2.941952289e+02 1.216086938e+02 2.358330788e+02 2.930353893e+02 2.918755498e+02 3.283717437e+01 1.494261708e+02 2.516348614e+02 6.017071315e+01 1.434713614e+02 2.00 2.714240840e+02 1.133279365e+02 2.200988560e+02 2.708478066e+02 2.702715293e+02 2.901562949e+01 1.383746514e+02 2.325489009e+02 5.396542331e+01 1.318621152e+02 2.02 2.507115028e+02 1.058641357e+02 2.055057594e+02 2.506407132e+02 2.505699237e+02 2.556254805e+01 1.279123442e+02 2.153409329e+02 4.827559137e+01 1.210496970e+02 2.04 2.319503872e+02 9.908586215e+01 1.918857916e+02 2.322770349e+02 2.326036825e+02 2.243852035e+01 1.180164589e+02 1.998657946e+02 4.306631532e+01 1.110033288e+02 2.06 2.150204558e+02 9.287101284e+01 1.791382549e+02 2.156272033e+02 2.162339508e+02 1.961766853e+01 1.086720499e+02 1.859653490e+02 3.830625411e+01 1.016881783e+02 2.08 1.997878456e+02 8.711432779e+01 1.672132475e+02 2.005640795e+02 2.013403134e+02 1.708232801e+01 9.986798564e+01 1.734705303e+02 3.396597939e+01 9.306529936e+01 2.10 1.861052890e+02 8.173218038e+01 1.560843497e+02 1.869555502e+02 1.878058113e+02 1.481710944e+01 9.159341339e+01 1.622050105e+02 3.001710201e+01 8.509182479e+01 2.12 1.738131052e+02 7.666219517e+01 1.457284593e+02 1.746598914e+02 1.755066775e+02 1.280583497e+01 8.383630963e+01 1.519907965e+02 2.643232170e+01 7.772149165e+01 2.14 1.627414788e+02 7.185828464e+01 1.361192235e+02 1.635260428e+02 1.643106068e+02 1.103124504e+01 7.658317399e+01 1.426557026e+02 2.318585089e+01 7.090560113e+01 2.16 1.527145913e+02 6.728554178e+01 1.272260896e+02 1.533971031e+02 1.540796149e+02 9.475213918e+00 6.981889099e+01 1.340418928e+02 2.025390713e+01 6.459449772e+01 2.18 1.435571213e+02 6.291814135e+01 1.190139116e+02 1.441160719e+02 1.446750224e+02 8.118845365e+00 6.352663165e+01 1.260138086e+02 1.761483839e+01 5.873959492e+01 2.20 1.351032518e+02 5.873811839e+01 1.114426441e+02 1.355337888e+02 1.359643258e+02 6.942577405e+00 5.768781872e+01 1.184634691e+02 1.524856642e+01 5.329584375e+01 2.22 1.272074269e+02 5.473302279e+01 1.044672125e+02 1.275183965e+02 1.278293661e+02 5.926331084e+00 5.228217846e+01 1.113121324e+02 1.313554726e+01 4.822431580e+01 2.24 1.197546588e+02 5.089371736e+01 9.803766246e+01 1.199643979e+02 1.201741370e+02 5.049722380e+00 4.728790498e+01 1.045088109e+02 1.125590086e+01 4.349428206e+01 2.26 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