# 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 = Se # 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 3.086283958e+04 nan nan nan nan 0.76 nan nan nan nan nan 2.634694140e+04 nan nan nan nan 0.78 nan nan nan nan nan 2.257071755e+04 nan nan 2.930659785e+04 nan 0.80 nan nan nan nan nan 1.939800176e+04 nan nan 2.521093640e+04 nan 0.82 nan nan nan nan nan 1.672468451e+04 nan nan 2.177714205e+04 nan 0.84 nan nan nan nan nan 1.447304136e+04 nan nan 1.888146168e+04 nan 0.86 nan 2.883181497e+04 nan nan nan 1.258126076e+04 2.974521971e+04 nan 1.642441171e+04 2.897796561e+04 0.88 nan 2.513681737e+04 nan nan nan 1.099017266e+04 2.590918970e+04 nan 1.432584196e+04 2.528071732e+04 0.90 nan 2.197713601e+04 nan nan nan 9.641188453e+03 2.264498753e+04 nan 1.252214774e+04 2.212996837e+04 0.92 nan 1.926480408e+04 nan nan nan 8.482002131e+03 1.986035870e+04 nan 1.096562062e+04 1.942993948e+04 0.94 nan 1.693098365e+04 2.855610975e+04 nan nan 7.473927037e+03 1.747659326e+04 3.005402065e+04 9.621400358e+03 1.710107281e+04 0.96 2.979404743e+04 1.491832183e+04 2.517765587e+04 2.978185724e+04 2.977156381e+04 6.592048437e+03 1.542501013e+04 2.648551896e+04 8.461565347e+03 1.507912333e+04 0.98 2.632167259e+04 1.317680582e+04 2.223685390e+04 2.632872119e+04 2.632866438e+04 5.819368140e+03 1.364610551e+04 2.339122526e+04 7.460585475e+03 1.331668866e+04 1.00 2.330491241e+04 1.166534758e+04 1.967652811e+04 2.332714152e+04 2.333709384e+04 5.142863932e+03 1.209279163e+04 2.070862572e+04 6.595069028e+03 1.178063371e+04 1.02 2.068369768e+04 1.035012573e+04 1.745106673e+04 2.071208402e+04 2.072769849e+04 4.551953168e+03 1.073129678e+04 1.838273311e+04 5.844795637e+03 1.044477241e+04 1.04 1.840436613e+04 9.203015295e+03 1.551726675e+04 1.842865132e+04 1.844411925e+04 4.036692992e+03 9.537560215e+03 1.636276664e+04 5.193150300e+03 9.283232659e+03 1.06 1.641970549e+04 8.200974343e+03 1.383435904e+04 1.643170163e+04 1.644225709e+04 3.587174718e+03 8.491563200e+03 1.460281544e+04 4.626153601e+03 8.269714445e+03 1.08 1.468747075e+04 7.323392741e+03 1.236699981e+04 1.468355478e+04 1.468658569e+04 3.194034604e+03 7.574453153e+03 1.306250951e+04 4.131489236e+03 7.380448075e+03 1.10 1.316766572e+04 6.551523583e+03 1.108492891e+04 1.315063199e+04 1.314602184e+04 2.849158813e+03 6.768798591e+03 1.170708830e+04 3.698459318e+03 6.597100942e+03 1.12 1.182501021e+04 5.870127823e+03 9.960453726e+03 1.180253956e+04 1.179220285e+04 2.545882165e+03 6.059239769e+03 1.050845419e+04 3.317818725e+03 5.906458271e+03 1.14 1.063290177e+04 5.267399909e+03 8.967799659e+03 1.061292954e+04 1.059980631e+04 2.278691533e+03 5.432550450e+03 9.445078970e+03 2.981566753e+03 5.298067646e+03 1.16 9.572428926e+03 4.733165974e+03 8.084033359e+03 9.559561983e+03 9.546653632e+03 2.042672704e+03 4.877827567e+03 8.500048848e+03 2.683019485e+03 4.762728392e+03 1.18 8.628392919e+03 4.258246709e+03 7.291287730e+03 8.623748274e+03 8.613547234e+03 1.833495454e+03 4.386581869e+03 7.659072685e+03 2.416723246e+03 4.291628291e+03 1.20 7.787527037e+03 3.835045676e+03 6.578033118e+03 7.790044309e+03 7.784293911e+03 1.647751785e+03 3.952211322e+03 6.909845150e+03 2.178270325e+03 3.876280373e+03 1.22 7.037971416e+03 3.457789612e+03 5.937101913e+03 7.045637537e+03 7.045240390e+03 1.482888596e+03 3.568817508e+03 6.241788450e+03 1.964103507e+03 3.508861171e+03 1.24 6.369137504e+03 3.121923214e+03 5.362767075e+03 6.379601251e+03 6.384464277e+03 1.336818559e+03 3.230408496e+03 5.645571551e+03 1.771266425e+03 3.182507533e+03 1.26 5.771560801e+03 2.823198544e+03 4.849515889e+03 5.782497322e+03 5.791477314e+03 1.207694839e+03 2.931012761e+03 5.112710252e+03 1.597365654e+03 2.891263104e+03 1.28 5.236676579e+03 2.557326466e+03 4.391714741e+03 5.246272960e+03 5.257451026e+03 1.093759272e+03 2.665050562e+03 4.635676040e+03 1.440577964e+03 2.629903577e+03 1.30 4.756956879e+03 2.320205338e+03 3.983460573e+03 4.764206455e+03 4.775437523e+03 9.932107969e+02 2.427555452e+03 4.208124294e+03 1.299457047e+03 2.394001928e+03 1.32 4.325928007e+03 2.108268390e+03 3.618843336e+03 4.330651202e+03 4.340158769e+03 9.042322587e+02 2.214239895e+03 3.824776180e+03 1.172706717e+03 2.179894498e+03 1.34 3.938114699e+03 1.918616017e+03 3.292449711e+03 3.940736852e+03 3.947432586e+03 8.251085211e+02 2.021492955e+03 3.481170787e+03 1.059083749e+03 1.984597722e+03 1.36 3.589176112e+03 1.748812495e+03 2.999754629e+03 3.590217353e+03 3.593645197e+03 7.543299455e+02 1.846310391e+03 3.173487564e+03 9.574102171e+02 1.805894680e+03 1.38 3.275716138e+03 1.596583649e+03 2.737095656e+03 3.275370084e+03 3.275520004e+03 6.906133407e+02 1.686272789e+03 2.898256335e+03 8.665992384e+02 1.642267001e+03 1.40 2.994654424e+03 1.459682002e+03 2.501315797e+03 2.992803199e+03 2.989989692e+03 6.328661332e+02 1.539554820e+03 2.652002621e+03 7.856369642e+02 1.492580513e+03 1.42 2.742799918e+03 1.335936915e+03 2.289578942e+03 2.739302599e+03 2.734090713e+03 5.802042337e+02 1.404853029e+03 2.431139603e+03 7.135450525e+02 1.355884630e+03 1.44 2.516825056e+03 1.223392972e+03 2.099418782e+03 2.511744063e+03 2.504866535e+03 5.320031284e+02 1.281236138e+03 2.232125854e+03 6.493536008e+02 1.231400258e+03 1.46 2.313355166e+03 1.120424497e+03 1.928672572e+03 2.307020466e+03 2.299291008e+03 4.878626914e+02 1.167962607e+03 2.051703474e+03 5.921020352e+02 1.118484544e+03 1.48 2.129096150e+03 1.025786639e+03 1.775248713e+03 2.122092387e+03 2.114333415e+03 4.474822459e+02 1.064350446e+03 1.887118681e+03 5.408825616e+02 1.016526415e+03 1.50 1.961055080e+03 9.386220065e+02 1.636970211e+03 1.954165258e+03 1.947140041e+03 4.105626140e+02 9.697361478e+02 1.736252976e+03 4.948985011e+02 9.248631626e+02 1.52 1.806819833e+03 8.583988545e+02 1.511616094e+03 1.800886089e+03 1.795220970e+03 3.767852359e+02 8.834702749e+02 1.597601705e+03 4.534981453e+02 8.427594103e+02 1.54 1.664726067e+03 7.847661224e+02 1.397068591e+03 1.660441840e+03 1.656555478e+03 3.458217257e+02 8.049193833e+02 1.470113750e+03 4.161609936e+02 7.694125598e+02 1.56 1.533748741e+03 7.174123172e+02 1.291491116e+03 1.531493063e+03 1.529568606e+03 3.173515020e+02 7.334856922e+02 1.352974827e+03 3.824499200e+02 7.039678632e+02 1.58 1.413173959e+03 6.559993514e+02 1.193471192e+03 1.412992237e+03 1.413006944e+03 2.910840985e+02 6.686350432e+02 1.245441931e+03 3.519689909e+02 6.455444690e+02 1.60 1.302341368e+03 6.001506626e+02 1.102053958e+03 1.304034927e+03 1.305812827e+03 2.667796506e+02 6.099076628e+02 1.146792818e+03 3.243442356e+02 5.932741663e+02 1.62 1.200585346e+03 5.494528436e+02 1.016653155e+03 1.203807823e+03 1.207055000e+03 2.442566264e+02 5.568994235e+02 1.056337502e+03 2.992187759e+02 5.463501574e+02 1.64 1.107252053e+03 5.034614220e+02 9.369093863e+02 1.111574396e+03 1.115901098e+03 2.233790009e+02 5.092244597e+02 9.734248673e+02 2.762612285e+02 5.040741019e+02 1.66 1.021712648e+03 4.617116005e+02 8.625590301e+02 1.026663669e+03 1.031615046e+03 2.040315148e+02 4.664846183e+02 8.974293003e+02 2.551814714e+02 4.658790812e+02 1.68 9.433561678e+02 4.237348779e+02 7.933555796e+02 9.484585766e+02 9.535609918e+02 1.861043875e+02 4.282604871e+02 8.277372611e+02 2.357398285e+02 4.313076755e+02 1.70 8.715676571e+02 3.890811868e+02 7.290543217e+02 8.763847835e+02 8.812019098e+02 1.694934233e+02 3.941172050e+02 7.637549728e+02 2.177436286e+02 3.999548332e+02 1.72 8.057165645e+02 3.573435905e+02 6.694213470e+02 8.099009711e+02 8.140853777e+02 1.541053142e+02 3.636153708e+02 7.049279384e+02 2.010363357e+02 3.714229039e+02 1.74 7.451717658e+02 3.281793660e+02 6.142432327e+02 7.484953260e+02 7.518188862e+02 1.398621455e+02 3.363238893e+02 6.507537774e+02 1.854883759e+02 3.453180779e+02 1.76 6.893348092e+02 3.013201737e+02 5.633304632e+02 6.916912643e+02 6.940477194e+02 1.267024696e+02 3.118319889e+02 6.007852168e+02 1.709916832e+02 3.212709217e+02 1.78 6.376787794e+02 2.765678908e+02 5.165107106e+02 6.390658375e+02 6.404528956e+02 1.145773948e+02 2.897569556e+02 5.546329260e+02 1.574554209e+02 2.989626133e+02 1.80 5.897805226e+02 2.537789224e+02 4.736143454e+02 5.902714840e+02 5.907624454e+02 1.034433686e+02 2.697468179e+02 5.119728226e+02 1.448037930e+02 2.781472513e+02 1.82 5.453302745e+02 2.328431020e+02 4.344615535e+02 5.450428431e+02 5.447554118e+02 9.325636342e+01 2.514829064e+02 4.725450860e+02 1.329765856e+02 2.586590030e+02 1.84 5.041079513e+02 2.136650908e+02 3.988572031e+02 5.031786123e+02 5.022492733e+02 8.396984134e+01 2.346871526e+02 4.361350768e+02 1.219284598e+02 2.403963027e+02 1.86 4.659367514e+02 1.961523709e+02 3.665904223e+02 4.645064445e+02 4.630761375e+02 7.553454732e+01 2.191294441e+02 4.025463496e+02 1.116247265e+02 2.232903264e+02 1.88 4.306450070e+02 1.802088295e+02 3.374353981e+02 4.288541691e+02 4.270633311e+02 6.789857352e+01 2.046276277e+02 3.715846261e+02 1.020352546e+02 2.072791333e+02 1.90 3.980535282e+02 1.657331626e+02 3.111528969e+02 3.960402632e+02 3.940269983e+02 6.100755089e+01 1.910411464e+02 3.430574380e+02 9.312990218e+01 1.922988818e+02 1.92 3.679773689e+02 1.526197310e+02 2.874926991e+02 3.658752554e+02 3.637731419e+02 5.480500240e+01 1.782643425e+02 3.167805864e+02 8.487698163e+01 1.782840014e+02 1.94 3.402311148e+02 1.407601539e+02 2.661971894e+02 3.381659121e+02 3.361007094e+02 4.923288638e+01 1.662212034e+02 2.925851855e+02 7.724321526e+01 1.651690599e+02 1.96 3.146356391e+02 1.300453676e+02 2.470062950e+02 3.127207272e+02 3.108058153e+02 4.423236145e+01 1.548580750e+02 2.703226104e+02 7.019397942e+01 1.528912041e+02 1.98 2.910255422e+02 1.203679629e+02 2.296637694e+02 2.893562070e+02 2.876868717e+02 3.974480373e+01 1.441335431e+02 2.498651726e+02 6.369372451e+01 1.413928777e+02 2.00 2.692556798e+02 1.116243803e+02 2.139244225e+02 2.679028541e+02 2.665500284e+02 3.571309532e+01 1.340103295e+02 2.311018522e+02 5.770658882e+01 1.306242027e+02 2.02 2.492044130e+02 1.037163243e+02 1.995613781e+02 2.482091653e+02 2.472139175e+02 3.208316904e+01 1.244526607e+02 2.139313879e+02 5.219718405e+01 1.205441237e+02 2.04 2.307713437e+02 9.655082783e+01 1.863721806e+02 2.301419825e+02 2.295126213e+02 2.880572319e+01 1.154270437e+02 1.982563584e+02 4.713147539e+01 1.111194988e+02 2.06 2.138694140e+02 9.003910848e+01 1.741831402e+02 2.135829679e+02 2.132965217e+02 2.583789815e+01 1.069036420e+02 1.839792383e+02 4.247760603e+01 1.023221453e+02 2.08 1.984149737e+02 8.409554778e+01 1.628525260e+02 1.984235074e+02 1.984320412e+02 2.314454548e+01 9.885732863e+01 1.709994468e+02 3.820645064e+01 9.412523890e+01 2.10 1.843210146e+02 7.863848458e+01 1.522731197e+02 1.845612733e+02 1.848015320e+02 2.069858824e+01 9.126796212e+01 1.592117958e+02 3.429168718e+01 8.650096912e+01 2.12 1.714950400e+02 7.359293321e+01 1.423719083e+02 1.718987542e+02 1.723024684e+02 1.848003212e+01 8.411957345e+01 1.485067293e+02 3.070933637e+01 7.941988207e+01 2.14 1.598390813e+02 6.889370662e+01 1.331036005e+02 1.603414616e+02 1.608438419e+02 1.647364748e+01 7.739865357e+01 1.387716864e+02 2.743702873e+01 7.285094887e+01 2.16 1.492502262e+02 6.448749911e+01 1.244389392e+02 1.497951602e+02 1.503400941e+02 1.466617164e+01 7.109236161e+01 1.298931841e+02 2.445346566e+01 6.676180353e+01 2.18 1.396215540e+02 6.033303070e+01 1.163536230e+02 1.401636627e+02 1.407057715e+02 1.304437810e+01 6.518748527e+01 1.217596217e+02 2.173830203e+01 6.111912749e+01 2.20 1.308436375e+02 5.639916699e+01 1.088226650e+02 1.313486263e+02 1.318536151e+02 1.159457640e+01 5.967015015e+01 1.142647322e+02 1.927226379e+01 5.588921101e+01 2.22 1.228067804e+02 5.266218963e+01 1.018191319e+02 1.232512065e+02 1.236956326e+02 1.030278636e+01 5.452577413e+01 1.073113688e+02 1.703729643e+01 5.103870413e+01 2.24 1.154041037e+02 4.910384442e+01 9.531403274e+01 1.157747815e+02 1.161454593e+02 9.154880447e+00 4.973905438e+01 1.008150281e+02 1.501662402e+01 4.653554407e+01 2.26 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