# 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 = HgTe3 # 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 2.766817323e+04 nan nan 0.88 2.410428769e+04 nan nan 0.90 2.107292038e+04 nan nan 0.92 1.847844897e+04 nan nan 0.94 1.624327783e+04 2.739869118e+04 nan 0.96 1.430858440e+04 2.413860943e+04 2.863583735e+04 0.98 1.262986630e+04 2.132860772e+04 2.532824196e+04 1.00 1.117302061e+04 1.889114138e+04 2.246190118e+04 1.02 9.909644642e+03 1.676674787e+04 1.996577786e+04 1.04 8.811768857e+03 1.491274471e+04 1.778115343e+04 1.06 7.853712940e+03 1.329429368e+04 1.585818276e+04 1.08 7.014767823e+03 1.187943279e+04 1.415957383e+04 1.10 6.277584149e+03 1.063760916e+04 1.265914807e+04 1.12 5.626741778e+03 9.541410881e+03 1.133477982e+04 1.14 5.049112722e+03 8.570058165e+03 1.016594012e+04 1.16 4.534102959e+03 7.708776021e+03 9.133775657e+03 1.18 4.073623928e+03 6.945389799e+03 8.220947385e+03 1.20 3.661470933e+03 6.268400947e+03 7.411700107e+03 1.22 3.292746953e+03 5.666535746e+03 6.692350277e+03 1.24 2.963198255e+03 5.128759650e+03 6.051444657e+03 1.26 2.668993688e+03 4.645043413e+03 5.479126676e+03 1.28 2.406948030e+03 4.207749871e+03 4.967143398e+03 1.30 2.174456746e+03 3.812120038e+03 4.509084509e+03 1.32 1.969040851e+03 3.455184938e+03 4.099726298e+03 1.34 1.787974669e+03 3.134486375e+03 3.734195480e+03 1.36 1.628204923e+03 2.847632435e+03 3.407653646e+03 1.38 1.486499857e+03 2.592067643e+03 3.115299789e+03 1.40 1.359758907e+03 2.364892881e+03 2.852513908e+03 1.42 1.245414903e+03 2.162893916e+03 2.614990540e+03 1.44 1.141692509e+03 1.982718788e+03 2.399008385e+03 1.46 1.047461510e+03 1.821118897e+03 2.201854168e+03 1.48 9.618445769e+02 1.675176301e+03 2.021869801e+03 1.50 8.839969743e+02 1.542454325e+03 1.857913658e+03 1.52 8.130805475e+02 1.421070560e+03 1.708877274e+03 1.54 7.483061717e+02 1.309691356e+03 1.573585009e+03 1.56 6.889772325e+02 1.207420562e+03 1.450808596e+03 1.58 6.344998917e+02 1.113573892e+03 1.339276551e+03 1.60 5.843670831e+02 1.027484937e+03 1.237695735e+03 1.62 5.381373720e+02 9.484483436e+02 1.144815347e+03 1.64 4.954154451e+02 8.757433258e+02 1.059514908e+03 1.66 4.558556386e+02 8.086808658e+02 9.808635190e+02 1.68 4.191905028e+02 7.466553409e+02 9.081138199e+02 1.70 3.852378567e+02 6.891833504e+02 8.406555398e+02 1.72 3.538625270e+02 6.359111661e+02 7.779960969e+02 1.74 3.249318664e+02 5.865877117e+02 7.197633200e+02 1.76 2.983015500e+02 5.410216918e+02 6.656736443e+02 1.78 2.738176665e+02 4.990397638e+02 6.154842499e+02 1.80 2.513220742e+02 4.604571306e+02 5.689700405e+02 1.82 2.306593290e+02 4.250689563e+02 5.259120877e+02 1.84 2.116840213e+02 3.926540789e+02 4.860876110e+02 1.86 1.942663858e+02 3.629824279e+02 4.492690472e+02 1.88 1.782938889e+02 3.358237666e+02 4.152319471e+02 1.90 1.636685058e+02 3.109556157e+02 3.837659425e+02 1.92 1.503028307e+02 2.881678941e+02 3.546851024e+02 1.94 1.381181362e+02 2.672636510e+02 3.278344301e+02 1.96 1.270429100e+02 2.480590335e+02 3.030891148e+02 1.98 1.170092315e+02 2.303874854e+02 2.803449504e+02 2.00 1.079476859e+02 2.141083580e+02 2.595032908e+02 2.02 9.978378660e+01 1.991113898e+02 2.404588303e+02 2.04 9.243756754e+01 1.853092116e+02 2.230950390e+02 2.06 8.582537952e+01 1.726222632e+02 2.072842922e+02 2.08 7.986293708e+01 1.609687663e+02 1.928895910e+02 2.10 7.446927824e+01 1.502632097e+02 1.797675575e+02 2.12 6.957083307e+01 1.404179555e+02 1.677729894e+02 2.14 6.510408511e+01 1.313454906e+02 1.567650495e+02 2.16 6.101537232e+01 1.229609516e+02 1.466146586e+02 2.18 5.725812285e+01 1.151845860e+02 1.372118336e+02 2.20 5.378991868e+01 1.079438009e+02 1.284708397e+02 2.22 5.057096158e+01 1.011747179e+02 1.203307775e+02 2.24 4.756361200e+01 9.482352342e+01 1.127504840e+02 2.26 4.473299124e+01 8.884773488e+01 1.056995356e+02 2.28 4.204853784e+01 8.321658552e+01 9.914995261e+01 2.30 3.948570820e+01 7.790942973e+01 9.307225344e+01 2.32 3.702701636e+01 7.291228237e+01 8.743480004e+01 2.34 3.466185362e+01 6.821404791e+01 8.220397527e+01 2.36 3.238493573e+01 6.380407261e+01 7.734454890e+01 2.38 3.019396718e+01 5.967115871e+01 7.282025462e+01 2.40 2.808767964e+01 5.580320878e+01 6.859461915e+01 2.42 2.606496895e+01 5.218708817e+01 6.463205960e+01 2.44 2.412477333e+01 4.880861195e+01 6.089921225e+01 2.46 2.226608501e+01 4.565259566e+01 5.736636943e+01 2.48 2.048794215e+01 4.270296498e+01 5.400878741e+01 2.50 1.878941685e+01 3.994294084e+01 5.080752473e+01 2.52 1.716960309e+01 3.735531694e+01 4.774945919e+01 2.54 1.562760503e+01 3.492284228e+01 4.482631862e+01 2.56 1.416252528e+01 3.262871152e+01 4.203298270e+01 2.58 1.277345342e+01 3.045714672e+01 3.936575888e+01 2.60 1.145945461e+01 2.839402383e+01 3.682133338e+01 2.62 1.021955828e+01 2.642745837e+01 3.439647618e+01 2.64 9.052747094e+00 2.454822647e+01 3.208805285e+01 2.66 7.957946019e+00 2.274988235e+01 2.989303812e+01 2.68 6.934011640e+00 2.102847508e+01 2.780849038e+01 2.70 5.979721791e+00 1.938189100e+01 2.583149359e+01 2.72 5.093765530e+00 1.780902721e+01 2.395907690e+01 2.74 4.274733581e+00 1.630911114e+01 2.218813296e+01 2.76 3.521109334e+00 1.488136738e+01 2.051535879e+01 2.78 2.831260543e+00 1.352495446e+01 1.893723025e+01 2.80 2.203431849e+00 1.223897245e+01 1.745000179e+01 2.82 1.635738319e+00 1.102245903e+01 1.604971933e+01 2.84 1.126160169e+00 9.874379672e+00 1.473224248e+01 2.86 6.725388878e-01 8.793617578e+00 1.349327827e+01 2.88 2.725749804e-01 7.778964177e+00 1.232842799e+01 2.90 -7.617241666e-02 6.829110183e+00 1.123324841e+01 2.92 -3.762838067e-01 5.942637490e+00 1.020332755e+01 2.94 -6.304752188e-01 5.118012121e+00 9.234373810e+00 2.96 -8.415914515e-01 4.353578517e+00 8.322315017e+00 2.98 -1.012596419e+00 3.647555497e+00 7.463401032e+00 3.00 -1.146560368e+00 2.998034281e+00 6.654300012e+00 3.02 -1.246643768e+00 2.402979019e+00 5.892174815e+00 3.04 -1.316077731e+00 1.860230309e+00 5.174723735e+00 3.06 -1.358140882e+00 1.367512258e+00 4.500170608e+00 3.08 -1.376132708e+00 9.224436314e-01 3.867195951e+00 3.10 -1.373343508e+00 5.225536413e-01 3.274814638e+00 3.12 -1.353021228e+00 1.653028327e-01 2.722224669e+00 3.14 -1.318335596e+00 -1.518906641e-01 2.208667271e+00 3.16 -1.272340177e+00 -4.316195906e-01 1.733336363e+00 3.18 -1.217933125e+00 -6.764513804e-01 1.295348015e+00 3.20 -1.157817621e+00 -8.888888565e-01 8.937454818e-01 3.22 -1.094463181e+00 -1.071330509e+00 5.275077568e-01 3.24 -1.030069191e+00 -1.226034512e+00 1.955512079e-01 3.26 -9.665322439e-01 -1.355092110e+00 -1.032714157e-01 3.28 -9.054190650e-01 -1.460416944e+00 -3.701716649e-01 3.30 -8.479470465e-01 -1.543756240e+00 -6.064252813e-01 3.32 -7.949747389e-01 -1.606726302e+00 -8.133711882e-01 3.34 -7.470049376e-01 -1.650867506e+00 -9.924094803e-01 3.36 -7.042031959e-01 -1.677704244e+00 -1.144998313e+00 3.38 -6.664343012e-01 -1.688788416e+00 -1.272649593e+00 3.40 -6.333178851e-01 -1.685709998e+00 -1.376923391e+00 3.42 -6.043011242e-01 -1.670077650e+00 -1.459420984e+00 3.44 -5.787410014e-01 -1.643490314e+00 -1.521776486e+00 3.46 -5.559818866e-01 -1.607515695e+00 -1.565647033e+00 3.48 -5.354103239e-01 -1.563674518e+00 -1.592701500e+00 3.50 -5.164747274e-01 -1.513425696e+00 -1.604607818e+00 3.52 -4.986766683e-01 -1.458151281e+00 -1.603018944e+00 3.54 -4.815606620e-01 -1.399141451e+00 -1.589557645e+00 3.56 -4.647255421e-01 -1.337579932e+00 -1.565800292e+00 3.58 -4.478519155e-01 -1.274530358e+00 -1.533259945e+00 3.60 -4.307241576e-01 -1.210924147e+00 -1.493369118e+00 3.62 -4.132335236e-01 -1.147550576e+00 -1.447462703e+00 3.64 -3.953605836e-01 -1.085049837e+00 -1.396761679e+00 3.66 -3.771445848e-01 -1.023909951e+00 -1.342358409e+00 3.68 -3.586532097e-01 -9.644684790e-01 -1.285204498e+00 3.70 -3.399634049e-01 -9.069199837e-01 -1.226102466e+00 3.72 -3.211539716e-01 -8.513300275e-01 -1.165702670e+00 3.74 -3.023039417e-01 -7.976561776e-01 -1.104507133e+00 3.76 -2.834922499e-01 -7.457758029e-01 -1.042881929e+00 3.78 -2.647974863e-01 -6.955194329e-01 -9.810793674e-01 3.80 -2.462976091e-01 -6.467071101e-01 -9.192702188e-01 3.82 -2.280696119e-01 -5.991837522e-01 -8.575842550e-01 3.84 -2.101891440e-01 -5.528485387e-01 -7.961544583e-01 3.86 -1.927300797e-01 -5.076733665e-01 -7.351569707e-01 3.88 -1.757640354e-01 -4.637069526e-01 -6.748367504e-01 3.90 -1.593598333e-01 -4.210641561e-01 -6.155106017e-01 3.92 -1.435829102e-01 -3.799040293e-01 -5.575467160e-01 3.94 -1.284946734e-01 -3.404039874e-01 -5.013309755e-01 3.96 -1.141518047e-01 -3.027388955e-01 -4.472364348e-01 3.98 -1.006055169e-01 -2.670695905e-01 -3.956057605e-01 4.00 -8.790077058e-02 -2.335381791e-01 -3.467437809e-01 4.02 -7.607546095e-02 -2.022655169e-01 -3.009134623e-01 4.04 -6.515958956e-02 -1.733489767e-01 -2.583325089e-01 4.06 -5.517444121e-02 -1.468602884e-01 -2.191702692e-01 4.08 -4.613179251e-02 -1.228435125e-01 -1.835450404e-01 4.10 -3.803318649e-02 -1.013132348e-01 -1.515218943e-01 4.12 -3.086931613e-02 -8.225309326e-02 -1.231111721e-01 4.14 -2.461956942e-02 -6.561477005e-02 -9.826781796e-02 4.16 -1.925179814e-02 -5.131760494e-02 -7.689174826e-02 4.18 -1.472238144e-02 -3.924900868e-02 -5.882947801e-02 4.20 -1.097666118e-02 -2.926586995e-02 -4.387724549e-02 4.22 -7.949826946e-03 -2.119715104e-02 -3.178587819e-02 4.24 -5.568320147e-03 -1.484784692e-02 -2.226761731e-02 4.26 -3.751805064e-03 -1.000442658e-02 -1.500504380e-02 4.28 -2.415714094e-03 -6.441770863e-03 -9.662106070e-03 4.30 -1.474311082e-03 -3.931455771e-03 -5.897016816e-03 4.32 -8.441283940e-04 -2.250998526e-03 -3.376454375e-03 4.34 -4.475251226e-04 -1.193398050e-03 -1.790087680e-03 4.36 -2.160012293e-04 -5.760028848e-04 -8.640027041e-04 4.38 -9.281711015e-05 -2.475122423e-04 -3.712681512e-04 4.40 -3.445811614e-05 -9.188830498e-05 -1.378324379e-04 4.42 -1.060433507e-05 -2.827822657e-05 -4.241733870e-05 4.44 -2.551263263e-06 -6.803368693e-06 -1.020505300e-05 4.46 -4.403738082e-07 -1.174330155e-06 -1.761495232e-06 4.48 -4.783788896e-08 -1.275677039e-07 -1.913515558e-07 4.50 -2.649752723e-09 -7.066007261e-09 -1.059901089e-08 4.52 -5.217143248e-11 -1.391238199e-10 -2.086857299e-10 4.54 -1.860005621e-13 -4.960014989e-13 -7.440022484e-13 4.56 -2.890825799e-17 -7.708868797e-17 -1.156330320e-16 4.58 -5.273596167e-24 -1.406292311e-23 -2.109438467e-23 4.60 -3.617002431e-39 -9.645339815e-39 -1.446800972e-38 4.62 -7.033445854e-105 -1.875585561e-104 -2.813378342e-104 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 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