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["Adsorption site","COAds","rCN_PBEGeo","gCN_PBEGeo","PBE_CNemixsssd_OrbitalRadius"]
["AuCore_trunocta38AuS_Au_31",0.24179574106487678,9,6,10.262898451424688]
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["AuCore_trunocta79AuS_Au_3",-0.4543380950056104,6,4.083333333333333,7.831640200757323]
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["AuCore_trunocta79AuS_Au_22",-0.4143843749987326,7,5,8.648027392468961]
["AuCore_trunocta201AuS_Au_128",-0.1460676763922919,8,6.333333333333334,9.160189162113056]
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["AuCore_trunocta201AuS_Au_165",0.17193766696352952,9,6.916666666666667,10.103231320682669]
["AuCore_trunocta201AuS_Au_180",-0.1835900081759263,7,5,8.564856243766792]
["AuCore_trunocta201AuS_Au_182",-0.41226895971401234,6,4.25,7.770207184380559]
["AuCore_cubocta147AuS_Au_17",-0.2771480797196517,7,5.000000000000001,8.650466472992791]
["AuCore_cubocta147AuS_Au_23",0.008832302468661624,9,6.5,9.915476052950574]
["AuCore_cubocta147AuS_Au_61",-0.5794779275238255,5,3.333333333333334,6.729519442676953]
["AuCore_cubocta147AuS_Au_62",-0.0287582265341797,8,6.5,9.4954251949408]
["AuCore_cube171AuS_Au_0",-0.5484254984309445,5,3.1666666666666665,7.023048091172869]
["AuCore_cube171AuS_Au_1",-0.502323901448321,5,3.6666666666666665,7.308772170041989]
["AuCore_cube171AuS_Au_25",-0.028991567573356747,8,5.833333333333334,9.571775264016958]
["AuCore_cube171AuS_Au_28",0.004496614492794038,8,6.666666666666667,9.91218591427749]
["AuCore_tetrahedron120AuS_Au_1",-0.4302713807945082,6,3.25,7.666266469466515]
["AuCore_tetrahedron120AuS_Au_13",0.22066977582558422,9,6,10.424384777949795]
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["AuCore_ExtSurf111AuS_Au_31",-0.0018278601167764919,9,7.5,9.676075080571458]
["AuCore_ExtSurf100AuS_Au_31",-0.21908514617275898,8,6.666666666666668,9.12598848947055]
["AuCore_ExtSurf211AuS_Au_1",-0.2824229459420309,7,5.5,8.51388793402141]
["AuCore_ExtSurf532AuS_Au_55",-0.42818794662507287,6,4.75,7.9881015919757665]

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["Adsorption site","OAds_hollow","rCN_PBEGeo","gCN_PBEGeo","PBE_CNemixsssd_OrbitalRadius"]
["AuCore_trunocta38AuS_Au_0_4_9",-0.4727948293013089,7,3.6818181818181817,18.394330106936597]
["AuCore_trunocta38AuS_Au_0_1_9_10",-0.4853777810027271,7,4.090909090909091,18.48331790529892]
["AuCore_trunocta79AuS_Au_0_5_8",-0.131601821025912,7.333333333333333,4.409090909090909,19.327024943504792]
["AuCore_trunocta79AuS_Au_5_6_7",0.30920861894797547,9,5.863636363636363,22.326510936667955]
["AuCore_trunocta79AuS_Au_5_6_8_11",0.03194409375556795,8.333333333333334,5.681818181818182,21.696720872704166]
["AuCore_trunocta201AuS_Au_1_2_3",0.13675824271497383,8.333333333333334,5.5,22.049406776869162]
["AuCore_trunocta201AuS_Au_0_2_4",-0.0701321889201143,7.333333333333333,4.590909090909092,19.48697930510539]
["AuCore_trunocta201AuS_Au_3_33_36",0.43359083406182997,9,6.409090909090908,23.675395629795954]
["AuCore_trunocta201AuS_Au_0_2_25_40",0.2618570796601727,8.333333333333334,5.954545454545455,21.9176047352337]
["AuCore_trunocta201AuS_Au_1_2_4_7",-0.03925421946705576,7.333333333333333,5.090909090909092,19.57578068382559]
["AuCore_trunocta201AuS_Au_2_3_36_37",0.49011967010558344,9,6.954545454545453,23.847734988200838]
["AuCore_cubocta147AuS_Au_3_18_31",-0.2634718087228851,7.666666666666667,4.409090909090909,20.67105459068865]
["AuCore_cubocta147AuS_Au_0_3_18_27",-0.5235761480319514,6.333333333333333,4.045454545454545,17.164165469032724]
["AuCore_tetrahedron120AuS_Au_10_11_12",0.8380002979520906,9,6.136363636363637,24.143332745126855]
["AuCore_tetrahedron120AuS_Au_10_11_13_16",0.7156488751261474,9,6.136363636363638,23.702204690395718]
["AuCore_tetrahedron120AuS_Au_11_12_45_46",0.8429371484631485,9,6.8181818181818175,24.064229166891312]
["AuCore_Decahedron181AuS_Au_62_66_106",0.47435123631585263,8.333333333333334,5.5,22.709225390269186]
["AuCore_Decahedron181AuS_Au_62_103_106",0.6088631152849313,8.333333333333334,5.999999999999998,22.92200893577853]
["AuCore_Decahedron181AuS_Au_145_103_106",0.567699252893318,8,5.863636363636362,22.537851545002443]
["AuCore_Decahedron181AuS_Au_30_62_66_29",0.3594533241055853,8.333333333333334,5.954545454545453,22.460263129294827]
["2017-11-19T15:47:29"]