SQLite format 3@ $-|WtableframeframeCREATE TABLE frame ( id INTEGER PRIMARY KEY, sid INTEGER NOT NULL DEFAULT 0 ) etablestructurestructureCREATE TABLE structure ( id INTEGER PRIMARY KEY, cellparameters VARCHAR(512) NOT NULL DEFAULT '', formula VARCHAR(512) NOT NULL DEFAULT '', name VARCHAR(256) NOT NULL DEFAULT '', natoms INTEGER NOT NULL DEFAULT 0, symmetry VARCHAR(16) NOT NULL DEFAULT '', tsstring BLOB NOT NULL DEFAULT '' )3ItableinfoinfoCREATE TABLE info ( id INTEGER PRIMARY KEY, item VARCHAR(512) NOT NULL DEFAULT '', value BLOB NOT NULL DEF # description-'Edate_creationSat May 13 16:55:06 CST 2023 JJ =+K$16.119 9.551 26 90 90 90K6Mg6Cl18O36H72(COD #9000983) (0 1 0) surfaceP1x[ˎɍ]W}o`|N>߼{~[G%;}>ib?ûޝ^N\7m| 9n^3KR2%j:x*1>KI.ׂq ħTkz/JR A$K{E.' 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O$?}:=}ϏNO/sCѭt=~| է4Wnr g0#}goTA 'յO_yR[ _~IkZ:TPM[yy:x}:%P=j~G5y:??ޞo}>ٿw{,=ح93̐ͨ: =|DvOZnBی'v#F OûvnjNjߍi7fbL ٍy7f`~6f({/5fwnF:.nyUvK;J|./nE9[&˛uD@ʖV *%  jaEArX>+PVO`nJGIܭH 㷥VczaiZyZ᰼y[tXΎʇUY Ų!9d;6_Lgf,v&nÍ*M׎[ӵ3TLv0j.y0q{5aF;4.w7 /SA3;3.d;33^LoGmf)v~ff͑7x*aͫ?˚ wT3ǣ퓿 ˷!mY\#8\dB)wNlO:xQ''{o'S@9k Y<[]:W&C:WG:W&L:WP:W&U.+رnʥpb\\\\\\8QSCɢe,^+c:W&:WR]LMLuWjsUU_56;=mw m2wYl<3&zgV*BplljMUiu&z&zgMH띉6!;,Yip ɴIiSh3&,{gMbD읙6; mwVڤhG(L<흞6;6;mwFoMWfڤQ(P݁|GqJ]}ob4s?=?}yߢoV˟W!'ݏ]_>)<.Yq.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0}}138 3Ang {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0}}138 3eV/Ang ##0 #' Coordinatesdouble{{0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0  # Eelectronicdouble0.01eV G6 K Celldouble{10.0 10.0 10.0 90.0 90.0 90.0}6Ang. ' Forcesdouble{{0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} 5{[8pZ5# 3  approximateMaterialstring1  Pdouble1GPa  Vdouble1Ang^3( A  FactorEmpiricalToPrimitiveint11 -  FormulaEmpiricalstring1$ 5  FormulaPrimitiveCellstring1  Force_maxdouble1eV/Ang  Efermidouble0.01eV! % EVanderWaalsdouble0.01eV' 1 Eelectronic_sigma0double0.01eVh )w -PartialChargesdouble{{0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.3 ? Stressdouble{0.0 0.0 0.0 0.0 0.0 0.0}6kbarN #i CellVectorsdouble{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}3 3Ang0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0}}138 4electron charges S5 ='  approximateCBMinPositiondouble{0.0 0.0 0.0}35 ='  approximateVBMaxPositiondouble{0.0 0.0 0.0}3+ 9 approximateCenterOfGapdouble0.01eV" 1  approximateGapTypestring1# ) approximateGapdouble0.01eV Hsb83g]j"~4E|Fdoq/h#qkͭs#.bPczjhd'=%7YšIǮF`S9Y(QoveuJ<IAA%ÿ,.>Nމ#}bcCSՂ)YJ>P<\pg:V^iR&ngc ~Ex($b›PxXN _ gФ q]oIn™PB1nnTQA~[#./rSyNd)Q;0 $^ѱ¸fv@ww-(f>Fa6&wl  ki 1EDڅGoل4/ R&QPx P@'Ej*X*" &!|0XG6,yXS+XIB !.UICe"м§nmpm%j1sJh;"I}u&@iM5bdKW=}ȽXVa*<. 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