# 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 = CdTe3 # 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 3.028993583e+04 nan nan 0.88 2.636338451e+04 nan nan 0.90 2.302753404e+04 nan nan 0.92 2.017776853e+04 nan nan 0.94 1.772782431e+04 2.997455005e+04 nan 0.96 1.560972731e+04 2.641665337e+04 3.130028657e+04 0.98 1.377246118e+04 2.334061580e+04 2.765618008e+04 1.00 1.217852825e+04 2.066514212e+04 2.449723008e+04 1.02 1.079607212e+04 1.833025194e+04 2.175006238e+04 1.04 9.594984855e+03 1.628748147e+04 1.935376860e+04 1.06 8.549009578e+03 1.449752507e+04 1.725860849e+04 1.08 7.635396621e+03 1.293104703e+04 1.542301041e+04 1.10 6.833830108e+03 1.156380762e+04 1.380902791e+04 1.12 6.127696853e+03 1.037058091e+04 1.238366531e+04 1.14 5.504023870e+03 9.324869729e+03 1.112209904e+04 1.16 4.951064939e+03 8.401882709e+03 1.000513734e+04 1.18 4.457789966e+03 7.581632326e+03 9.014344752e+03 1.20 4.015276762e+03 6.849786214e+03 8.132044340e+03 1.22 3.617432687e+03 6.195661151e+03 7.343687599e+03 1.24 3.260057863e+03 5.609750294e+03 6.638638154e+03 1.26 2.939557076e+03 5.083298900e+03 6.008505410e+03 1.28 2.652637617e+03 4.608971407e+03 5.445564506e+03 1.30 2.396370195e+03 4.180930290e+03 4.942310972e+03 1.32 2.168087985e+03 3.794289387e+03 4.491503622e+03 1.34 1.965227656e+03 3.444918979e+03 4.086677792e+03 1.36 1.785235330e+03 3.129639527e+03 3.722582975e+03 1.38 1.625520088e+03 2.845980307e+03 3.395108784e+03 1.40 1.483516621e+03 2.591576978e+03 3.100801048e+03 1.42 1.356829093e+03 2.363924868e+03 2.836430383e+03 1.44 1.243309011e+03 2.160470532e+03 2.598816912e+03 1.46 1.141022032e+03 1.978732323e+03 2.384885138e+03 1.48 1.048235330e+03 1.816321499e+03 2.191748866e+03 1.50 9.635020330e+02 1.670872944e+03 2.016739007e+03 1.52 8.857316176e+02 1.540045391e+03 1.857514077e+03 1.54 8.141416260e+02 1.421666028e+03 1.712225602e+03 1.56 7.481474157e+02 1.313892111e+03 1.579473560e+03 1.58 6.873064308e+02 1.215261258e+03 1.458055309e+03 1.60 6.312873178e+02 1.124617562e+03 1.346818614e+03 1.62 5.798284215e+02 1.041011678e+03 1.244694003e+03 1.64 5.326825009e+02 9.636340048e+02 1.150773795e+03 1.66 4.895731578e+02 8.917706804e+02 1.064349339e+03 1.68 4.501845639e+02 8.248079773e+02 9.848620196e+02 1.70 4.141712392e+02 7.622653335e+02 9.117973020e+02 1.72 3.811783773e+02 7.038035591e+02 8.446139571e+02 1.74 3.508702316e+02 6.491976141e+02 7.827442037e+02 1.76 3.229583845e+02 5.982932538e+02 7.256279949e+02 1.78 2.972144462e+02 5.509646231e+02 6.727555225e+02 1.80 2.734569524e+02 5.070843548e+02 6.237017205e+02 1.82 2.515273146e+02 4.665146142e+02 5.781337618e+02 1.84 2.312803173e+02 4.291097382e+02 5.357844559e+02 1.86 2.125872022e+02 3.947208251e+02 4.964135675e+02 1.88 1.953377013e+02 3.631992069e+02 4.597903739e+02 1.90 1.794378479e+02 3.343967348e+02 4.257000029e+02 1.92 1.648066048e+02 3.081619606e+02 3.939555234e+02 1.94 1.513743367e+02 2.843344818e+02 3.644060498e+02 1.96 1.390814166e+02 2.627420885e+02 3.369363085e+02 1.98 1.278742902e+02 2.432027282e+02 3.114562801e+02 2.00 1.176999154e+02 2.255292434e+02 2.878853562e+02 2.02 1.085015471e+02 2.095346242e+02 2.661398563e+02 2.04 1.002172910e+02 1.950363995e+02 2.461286334e+02 2.06 9.278019841e+01 1.818600316e+02 2.277534932e+02 2.08 8.611881526e+01 1.698431613e+02 2.109109663e+02 2.10 8.015809000e+01 1.588416116e+02 1.954947644e+02 2.12 7.482071591e+01 1.487334569e+02 1.813987717e+02 2.14 7.002892869e+01 1.394169084e+02 1.685201748e+02 2.16 6.570666199e+01 1.308034151e+02 1.567619932e+02 2.18 6.178180791e+01 1.228122966e+02 1.460340511e+02 2.20 5.818822447e+01 1.153700413e+02 1.362517064e+02 2.22 5.486720928e+01 1.084115823e+02 1.273327999e+02 2.24 5.176838579e+01 1.018816841e+02 1.191948823e+02 2.26 4.885001101e+01 9.573628207e+01 1.117550531e+02 2.28 4.607863973e+01 8.994297673e+01 1.049326852e+02 2.30 4.342854586e+01 8.447956059e+01 9.865338271e+01 2.32 4.088151380e+01 7.933067385e+01 9.285242540e+01 2.34 3.842642623e+01 7.448414526e+01 8.747613646e+01 2.36 3.605770290e+01 6.992863098e+01 8.248014447e+01 2.38 3.377290765e+01 6.565262030e+01 7.782537708e+01 2.40 3.157071046e+01 6.164393526e+01 7.347462996e+01 2.42 2.944997424e+01 5.788940851e+01 6.939178106e+01 2.44 2.740961699e+01 5.437477039e+01 6.554285384e+01 2.46 2.544862217e+01 5.108467526e+01 6.189750684e+01 2.48 2.356603170e+01 4.800280375e+01 5.843040403e+01 2.50 2.176093520e+01 4.511204344e+01 5.512211022e+01 2.52 2.003245933e+01 4.239476675e+01 5.195914262e+01 2.54 1.837975742e+01 3.983322120e+01 4.893299692e+01 2.56 1.680199920e+01 3.741003637e+01 4.603840231e+01 2.58 1.529836078e+01 3.510883247e+01 4.327152917e+01 2.60 1.386801477e+01 3.291488365e+01 4.062888577e+01 2.62 1.251012056e+01 3.081574769e+01 3.810700496e+01 2.64 1.122381469e+01 2.880173212e+01 3.570246857e+01 2.66 1.000820148e+01 2.686604878e+01 3.341195083e+01 2.68 8.862343746e+00 2.500454910e+01 3.123223155e+01 2.70 7.785253733e+00 2.321505988e+01 2.916017620e+01 2.72 6.775884304e+00 2.149652809e+01 2.719267993e+01 2.74 5.833120360e+00 1.984830444e+01 2.532658429e+01 2.76 4.955770595e+00 1.826978419e+01 2.355859024e+01 2.78 4.142559636e+00 1.676033391e+01 2.188519569e+01 2.80 3.392120637e+00 1.531929873e+01 2.030267130e+01 2.82 2.702988415e+00 1.394600042e+01 1.880706617e+01 2.84 2.073593238e+00 1.263972957e+01 1.739422897e+01 2.86 1.502255358e+00 1.139973740e+01 1.605984080e+01 2.88 9.871804346e-01 1.022522765e+01 1.479946167e+01 2.90 5.264559736e-01 9.115348619e+00 1.360859237e+01 2.92 1.180489291e-01 8.069185370e+00 1.248275233e+01 2.94 -2.401953630e-01 7.085752160e+00 1.141757245e+01 2.96 -5.505527594e-01 6.163985196e+00 1.040889986e+01 2.98 -8.154182156e-01 5.302735777e+00 9.452908234e+00 3.00 -1.037301848e+00 4.500763947e+00 8.546203509e+00 3.02 -1.218822981e+00 3.756732764e+00 7.685910884e+00 3.04 -1.362702008e+00 3.069203346e+00 6.869726167e+00 3.06 -1.471749925e+00 2.436630843e+00 6.095914900e+00 3.08 -1.548855407e+00 1.857361533e+00 5.363249140e+00 3.10 -1.596969327e+00 1.329631245e+00 4.670885962e+00 3.12 -1.619086689e+00 8.515653413e-01 4.018212029e+00 3.14 -1.618225952e+00 4.211805144e-01 3.404695917e+00 3.16 -1.597405855e+00 3.638867073e-02 2.829789218e+00 3.18 -1.559619867e+00 -3.049968217e-01 2.292889798e+00 3.20 -1.507808534e+00 -6.052522338e-01 1.793343623e+00 3.22 -1.444830053e+00 -8.667316584e-01 1.330451878e+00 3.24 -1.373429546e+00 -1.091852046e+00 9.034714847e-01 3.26 -1.296207594e+00 -1.283074945e+00 5.116126732e-01 3.28 -1.215588719e+00 -1.442884914e+00 1.540364094e-01 3.30 -1.133790600e+00 -1.573764787e+00 -1.701479159e-01 3.32 -1.052794919e+00 -1.678168238e+00 -4.618844731e-01 3.34 -9.743207967e-01 -1.758490499e+00 -7.221726079e-01 3.36 -8.998019050e-01 -1.817038591e+00 -9.520680307e-01 3.38 -8.303683750e-01 -1.856003043e+00 -1.152683525e+00 3.40 -7.668347533e-01 -1.877433721e+00 -1.325189112e+00 3.42 -7.096953525e-01 -1.883222913e+00 -1.470811614e+00 3.44 -6.591284874e-01 -1.875098973e+00 -1.590833544e+00 3.46 -6.150112181e-01 -1.854633155e+00 -1.686591260e+00 3.48 -5.769462692e-01 -1.823260333e+00 -1.759472322e+00 3.50 -5.443025913e-01 -1.782310842e+00 -1.810911979e+00 3.52 -5.162703245e-01 -1.733046093e+00 -1.842388739e+00 3.54 -4.919293850e-01 -1.676686824e+00 -1.855418961e+00 3.56 -4.703282742e-01 -1.614423251e+00 -1.851550435e+00 3.58 -4.505660925e-01 -1.547403900e+00 -1.832354919e+00 3.60 -4.318669350e-01 -1.476711851e+00 -1.799419621e+00 3.62 -4.136336505e-01 -1.403343308e+00 -1.754337644e+00 3.64 -3.954697621e-01 -1.328196372e+00 -1.698697421e+00 3.66 -3.771655988e-01 -1.252067981e+00 -1.634071217e+00 3.68 -3.586556385e-01 -1.175655713e+00 -1.562002790e+00 3.70 -3.399635325e-01 -1.099563675e+00 -1.483994363e+00 3.72 -3.211539734e-01 -1.024312332e+00 -1.401493088e+00 3.74 -3.023039417e-01 -9.503516009e-01 -1.315877230e+00 3.76 -2.834922499e-01 -8.780757883e-01 -1.228442370e+00 3.78 -2.647974863e-01 -8.078381477e-01 -1.140387955e+00 3.80 -2.462976091e-01 -7.399621822e-01 -1.052804617e+00 3.82 -2.280696119e-01 -6.747468300e-01 -9.666627193e-01 3.84 -2.101891440e-01 -6.124637437e-01 -8.828026787e-01 3.86 -1.927300797e-01 -5.533472549e-01 -8.019276980e-01 3.88 -1.757640354e-01 -4.975806289e-01 -7.245995966e-01 3.90 -1.593598333e-01 -4.452841529e-01 -6.512385179e-01 3.92 -1.435829102e-01 -3.965096387e-01 -5.821273036e-01 3.94 -1.284946734e-01 -3.512425258e-01 -5.174212714e-01 3.96 -1.141518047e-01 -3.094101100e-01 -4.571639093e-01 3.98 -1.006055169e-01 -2.708942918e-01 -4.013085170e-01 4.00 -8.790077058e-02 -2.355478097e-01 -3.497449772e-01 4.02 -7.607546095e-02 -2.032125578e-01 -3.023295716e-01 4.04 -6.515958956e-02 -1.737376003e-01 -2.589141905e-01 4.06 -5.517444121e-02 -1.469935234e-01 -2.193698406e-01 4.08 -4.613179251e-02 -1.228794571e-01 -1.835989107e-01 4.10 -3.803318649e-02 -1.013202094e-01 -1.515323511e-01 4.12 -3.086931613e-02 -8.225393818e-02 -1.231124392e-01 4.14 -2.461956942e-02 -6.561482051e-02 -9.826789364e-02 4.16 -1.925179814e-02 -5.131760591e-02 -7.689174971e-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 4.96 0.000000000e+00 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