# 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 = Hg3S # 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 1.226900431e+04 nan nan 0.88 1.071173690e+04 nan nan 0.90 9.377445828e+03 nan nan 0.92 8.229128318e+03 nan nan 0.94 7.238294509e+03 1.209862852e+04 nan 0.96 6.379730637e+03 1.066973439e+04 1.274590871e+04 0.98 5.632880495e+03 9.445321296e+03 1.126672648e+04 1.00 4.982249015e+03 8.389157166e+03 9.971383555e+03 1.02 4.413722409e+03 7.467820763e+03 8.838276959e+03 1.04 3.914237368e+03 6.656244727e+03 7.846678043e+03 1.06 3.473894838e+03 5.938232430e+03 6.977570180e+03 1.08 3.086073993e+03 5.301954000e+03 6.215758972e+03 1.10 2.745330526e+03 4.737523268e+03 5.548744613e+03 1.12 2.446369582e+03 4.236571772e+03 4.964675956e+03 1.14 2.184189567e+03 3.791628307e+03 4.452141867e+03 1.16 1.954271645e+03 3.395831382e+03 4.000799361e+03 1.18 1.752705929e+03 3.043515904e+03 3.602069162e+03 1.20 1.576140319e+03 2.730649349e+03 3.249384902e+03 1.22 1.421520431e+03 2.454095614e+03 2.937480021e+03 1.24 1.285905989e+03 2.210795222e+03 2.661588691e+03 1.26 1.166441280e+03 1.997571648e+03 2.417243355e+03 1.28 1.060384485e+03 1.811141116e+03 2.200165207e+03 1.30 9.652934252e+02 1.648070004e+03 2.006181573e+03 1.32 8.793121836e+02 1.504746895e+03 1.831475596e+03 1.34 8.012207541e+02 1.377564040e+03 1.673089901e+03 1.36 7.301780748e+02 1.263276961e+03 1.529084297e+03 1.38 6.655450792e+02 1.159335540e+03 1.398077446e+03 1.40 6.068398247e+02 1.063981765e+03 1.278862218e+03 1.42 5.536650977e+02 9.760847334e+02 1.170376080e+03 1.44 5.056081987e+02 8.948684646e+02 1.071720463e+03 1.46 4.621894849e+02 8.197178847e+02 9.821168855e+02 1.48 4.228691726e+02 7.501469472e+02 9.008029776e+02 1.50 3.870859958e+02 6.858026207e+02 8.269517761e+02 1.52 3.543207436e+02 6.264331506e+02 7.596774585e+02 1.54 3.241641742e+02 5.718385687e+02 6.981006996e+02 1.56 2.963426483e+02 5.218272154e+02 6.414406933e+02 1.58 2.706747169e+02 4.761922872e+02 5.890965864e+02 1.60 2.470137587e+02 4.347086450e+02 5.406625726e+02 1.62 2.252307487e+02 3.971365897e+02 4.958593744e+02 1.64 2.052136463e+02 3.632257955e+02 4.544556855e+02 1.66 1.868642014e+02 3.327170798e+02 4.162415458e+02 1.68 1.700940811e+02 3.053414121e+02 3.810310568e+02 1.70 1.548228858e+02 2.808185829e+02 3.486665112e+02 1.72 1.409753811e+02 2.588586083e+02 3.190132854e+02 1.74 1.284762388e+02 2.391661119e+02 2.919458464e+02 1.76 1.172450008e+02 2.214479169e+02 2.673339148e+02 1.78 1.071938869e+02 2.054230162e+02 2.450366721e+02 1.80 9.822770600e+01 1.908315904e+02 2.249030536e+02 1.82 9.024456892e+01 1.774455439e+02 2.067739332e+02 1.84 8.313728366e+01 1.650822124e+02 1.904851032e+02 1.86 7.679564105e+01 1.536093389e+02 1.758707136e+02 1.88 7.110975047e+01 1.429321633e+02 1.627665539e+02 1.90 6.597440560e+01 1.329744238e+02 1.510123349e+02 1.92 6.129412618e+01 1.236699178e+02 1.404524375e+02 1.94 5.698802827e+01 1.149623076e+02 1.309357872e+02 1.96 5.299301021e+01 1.068059790e+02 1.223168407e+02 1.98 4.926336967e+01 9.916628638e+01 1.144590845e+02 2.00 4.576671391e+01 9.201813718e+01 1.072402813e+02 2.02 4.247958479e+01 8.534250604e+01 1.005581853e+02 2.04 3.938521425e+01 7.912237592e+01 9.433459740e+01 2.06 3.647159254e+01 7.334014714e+01 8.851340588e+01 2.08 3.372896609e+01 6.797680359e+01 8.305197531e+01 2.10 3.114795931e+01 6.301175447e+01 7.791289784e+01 2.12 2.871895322e+01 5.842278437e+01 7.306167822e+01 2.14 2.643215717e+01 5.418607372e+01 6.846785695e+01 2.16 2.427784552e+01 5.027631641e+01 6.410640696e+01 2.18 2.224667918e+01 4.666696256e+01 5.995853751e+01 2.20 2.033009889e+01 4.333061366e+01 5.601148046e+01 2.22 1.852073180e+01 4.023958959e+01 5.225713769e+01 2.24 1.681270239e+01 3.736666742e+01 4.869007096e+01 2.26 1.520170628e+01 3.468595583e+01 4.530577395e+01 2.28 1.368474674e+01 3.217381693e+01 4.209983242e+01 2.30 1.225959854e+01 2.980968979e+01 3.906772271e+01 2.32 1.092427558e+01 2.757663636e+01 3.620476609e+01 2.34 9.676771194e+00 2.546146641e+01 3.350608707e+01 2.36 8.515029923e+00 2.345443463e+01 3.096657437e+01 2.38 7.436953300e+00 2.154868069e+01 2.858084735e+01 2.40 6.440387483e+00 1.973962395e+01 2.634322974e+01 2.42 5.523108139e+00 1.802434152e+01 2.424773281e+01 2.44 4.682806270e+00 1.640085600e+01 2.228805053e+01 2.46 3.917075233e+00 1.486749150e+01 2.045756980e+01 2.48 3.223399115e+00 1.342255592e+01 1.874939865e+01 2.50 2.599142676e+00 1.206429797e+01 1.715641600e+01 2.52 2.041543077e+00 1.079091485e+01 1.567134545e+01 2.54 1.547703675e+00 9.600541065e+00 1.428685495e+01 2.56 1.114590143e+00 8.491233123e+00 1.299568185e+01 2.58 7.390292344e-01 7.460954986e+00 1.179077968e+01 2.60 4.177104978e-01 6.507564548e+00 1.066547810e+01 2.62 1.471912696e-01 5.628801426e+00 9.613641818e+00 2.64 -7.609474693e-02 4.822276381e+00 8.629808584e+00 2.66 -2.558250219e-01 4.085462704e+00 7.709283155e+00 2.68 -3.957716049e-01 3.415690023e+00 6.848166822e+00 2.70 -4.997802052e-01 2.810140992e+00 6.043314041e+00 2.72 -5.717448380e-01 2.265851409e+00 5.292227829e+00 2.74 -6.155780397e-01 1.779714385e+00 4.592924357e+00 2.76 -6.351767981e-01 1.348489175e+00 3.943797502e+00 2.78 -6.343845082e-01 9.688153653e-01 3.343490550e+00 2.80 -6.169494598e-01 6.372330569e-01 2.790764595e+00 2.82 -5.864805769e-01 3.502096132e-01 2.284375313e+00 2.84 -5.464013509e-01 1.041733835e-01 1.822997345e+00 2.86 -4.999031368e-01 -1.044455170e-01 1.405210180e+00 2.88 -4.498991895e-01 -2.791678012e-01 1.029511706e+00 2.90 -3.989810051e-01 -4.234122171e-01 6.943253067e-01 2.92 -3.493786883e-01 -5.404397667e-01 3.979988561e-01 2.94 -3.029271955e-01 -6.332988997e-01 1.388028712e-01 2.96 -2.610404360e-01 -7.047775256e-01 -8.507025845e-02 2.98 -2.246953788e-01 -7.573695646e-01 -2.755057234e-01 3.00 -1.944285636e-01 -7.932648472e-01 -4.344642682e-01 3.02 -1.703477714e-01 -8.143700939e-01 -5.639785272e-01 3.04 -1.521620014e-01 -8.223635711e-01 -6.661475619e-01 3.06 -1.392330721e-01 -8.187754684e-01 -7.431294498e-01 3.08 -1.306515766e-01 -8.050717526e-01 -7.971317894e-01 3.10 -1.253377083e-01 -7.827094665e-01 -8.304000135e-01 3.12 -1.221626800e-01 -7.531402580e-01 -8.452034372e-01 3.14 -1.200786407e-01 -7.177713722e-01 -8.438190168e-01 3.16 -1.182354603e-01 -6.779222582e-01 -8.285128581e-01 3.18 -1.160558751e-01 -6.348027951e-01 -8.015195905e-01 3.20 -1.132440406e-01 -5.895080135e-01 -7.650198122e-01 3.22 -1.097241977e-01 -5.430192468e-01 -7.211159227e-01 3.24 -1.055423763e-01 -4.962089673e-01 -6.718067745e-01 3.26 -1.007857123e-01 -4.498482782e-01 -6.189617120e-01 3.28 -9.554714675e-02 -4.046153531e-01 -5.642947076e-01 3.30 -8.991828779e-02 -3.611023322e-01 -5.093394636e-01 3.32 -8.398867593e-02 -3.198178519e-01 -4.554265173e-01 3.34 -7.784545013e-02 -2.811830526e-01 -4.036635800e-01 3.36 -7.157296333e-02 -2.455210371e-01 -3.549205550e-01 3.38 -6.525234008e-02 -2.130430212e-01 -3.098209282e-01 3.40 -5.896097586e-02 -1.838371765e-01 -2.687414819e-01 3.42 -5.277197872e-02 -1.578661009e-01 -2.318224893e-01 3.44 -4.675355620e-02 -1.349757938e-01 -1.989905615e-01 3.46 -4.096835251e-02 -1.149160452e-01 -1.699958440e-01 3.48 -3.547274484e-02 -9.737125742e-02 -1.444638760e-01 3.50 -3.031611185e-02 -8.199978630e-02 -1.219596222e-01 3.52 -2.554009302e-02 -6.847722612e-02 -1.020567195e-01 3.54 -2.117786482e-02 -5.653542221e-02 -8.439957406e-02 3.56 -1.725346787e-02 -4.598643769e-02 -6.874216821e-02 3.58 -1.378122975e-02 -3.672237844e-02 -5.495000071e-02 3.60 -1.076533849e-02 -2.869060684e-02 -4.296457456e-02 3.62 -8.199633637e-03 -2.185699058e-02 -3.274957220e-02 3.64 -6.067691296e-03 -1.617641449e-02 -2.424772716e-02 3.66 -4.343285282e-03 -1.158031274e-02 -1.736312105e-02 3.68 -2.991304578e-03 -7.976105067e-03 -1.196124064e-02 3.70 -1.969191538e-03 -5.250925268e-03 -7.875347708e-03 3.72 -1.228929947e-03 -3.277067333e-03 -4.915274325e-03 3.74 -7.195506254e-04 -1.918780306e-03 -2.878082341e-03 3.76 -3.900312580e-04 -1.040078562e-03 -1.560098071e-03 3.78 -1.923510938e-04 -5.129353923e-04 -7.693995493e-04 3.80 -8.433892396e-05 -2.249036813e-04 -3.373550438e-04 3.82 -3.186456757e-05 -8.497216923e-05 -1.274582086e-04 3.84 -9.931732119e-06 -2.648461833e-05 -3.972692480e-05 3.86 -2.399225797e-06 -6.397935437e-06 -9.596903068e-06 3.88 -4.094116414e-07 -1.091764377e-06 -1.637646564e-06 3.90 -4.272820115e-08 -1.139418697e-07 -1.709128046e-07 3.92 -2.152663574e-09 -5.740436197e-09 -8.610654295e-09 3.94 -3.448216569e-11 -9.195244185e-11 -1.379286628e-10 3.96 -7.793539088e-14 -2.078277090e-13 -3.117415635e-13 3.98 -4.033124535e-18 -1.075499876e-17 -1.613249814e-17 4.00 -2.972405702e-26 -7.926415206e-26 -1.188962281e-25 4.02 -1.302264461e-47 -3.472705230e-47 -5.209057845e-47 4.04 -1.605867775e-254 -4.282314067e-254 -6.423471102e-254 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 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