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 Mar 18 13:34:46 CST 2023 00= k#k9.84252 6.10099 24.1815 97.3336 99.1051 36.2318Mg4S4O40H48magnesium sulfate hexahydrate (COD #2011043)_P1`P1xZM = $ ɪIˎm jVd?Q`a=VƇĶGZ/>;~qG~A?z {o6/^]nnvfs!/zqw/򸿻ǣ/79lսt~8UZdbї.&@ Ks5ԢZSa,@یv.Gz(Gagckhd66T :5_rvK"XuF,Nldl k,SƙR1(uo5q吲,aYXjX"B[c12 Xk2ؔj 5"G}u>G2ԈfcNql!aR%<ܪ'<6!ɶc  |G3 ? 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 3Ang6 K Celldouble{10.0 10.0 10.0 90.0 90.0 90.0}6Anga  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 0.0c # 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   # Eelectronicdo  >>:3ItableinfoinfoCREATE TABLE info ( id INTEGER PRIMARY KEY, item VARCHAR(512) NOT NULL DEFAULT '', value BLOB NOT NULL DEFAULT '' ) 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 '' )|WtableframeframeCREATE TABLE frame ( id INTEGER PRIMARY KEY, sid INTEGER NOT NULL DEFAULT 0 ) *;5F %_indexframe_ix_sidframe CREATE INDEX "frame_ix_sid" ON frame(sid)tablepropertypropertyCREATE TABLE property ( id INTEGER PRIMARY KEY, sid INTEGER NOT NULL DEFAULT 0, name VARCHAR(256) NOT NULL DEFAULT '', type VARCHAR(64) NOT NULL DEFAULT 'string', "default" TEXT NOT NULL DEFAtablepropertypropertyCREATE TABLE property ( id INTEGER PRIMARY KEY, sid INTEGER NOT NULL DEFAULT 0, name VARCHAR(256) NOT NULL DEFAULT '', type VARCHAR(64) NOT NULL DEFAULT 'string', "default" TEXT NOT NULL DEFAULT '', size INTEGER NOT NULL DEFAULT 1, dimensions VARCHAR(128) NOT NULL DEFAULT '1', units VARCHAR(64) NOT NULL DEFAULT '' )S))atableframe_propertyframe_propertyCREATE TABLE frame_property ( id INTEGER PRIMARY KEY, prid INTEGER NOT NULL DEFAULT 0, fid INTEGER NOT NULL DEFAULT 0, value BLOB NOT NULL DEFAULT '' ) A x],7 DI puq1iJ2gubfFMg>,j>g?WdclX3fqΉ7WY+FEJgTbc|>/{S ZJ~%̜{>?k bރlcNyeq<\jGuV}|<'v3}EemKذ\[IsnTBekgO2' 3l0ϸYP9QDzO(>~bmjI7(*E揺ߩͩ˧* >\OAn(0Ueȟt@k7PUӹrCc={BuIhd+Jrȓ/uGE[sC'(D_OEUNG*'jr)7%Fugnjϭ7NB&aG<+sԠt1HjǞMI5S〓;Г< c#u=ooĠ* qMwj84FVwp6 RC fd+ zφ]dQ$`y?"Y􇿨J0* Q$˕[6X%@ E(9ݕlq{B 0X557P: :x55434476 #description' date_creation # Mg4S4O40H48  `                             Xd$x7)indexframe_property_ix_idsframe_propertyCREATE UNIQUE INDEX "frame_property_ix_ids" ON frame_property (prid,fid)k 7)indexframe_property_ix_fidframe_propertyCREATE INDEX "frame_property_ix_fid" ON frame_property(fid)n 9)indexframe_property_ix_pridframe_propertyCREATE INDEX "frame_property_ix_prid" ON frame_property(prid)U -oindexproperty_ix_namepropertyCREATE INDEX "property_ix_name" ON property(name)E%_indexinfo_ix_iteminfo CREATE INDEX "info_ix_item" ON info(item)b5indexstructure_ix_formulastructure CREATE INDEX "structure_ix_formula" ON structure(formula)_3{indexstructure_ix_natomsstructure CREATE INDEX "structure_ix_natoms" ON structure(natoms)F %_indexframe_ix_sidframe CREATE INDEX "frame_ix_sid" ON frame(sid)R +kindexproperty_ix_sidproperty CREATE INDEX "property_ix_sid" ON property(sid) nwl^0E n=approximateCBMinPosition=approximateVBMaxPosition9approximateCenterOfGap1approximateGapType)approximateGap3approximateMaterialPVAFactorEmpiricalToPrimitive-FormulaEmpirical 5FormulaPrimitiveCell Force_max Efermi %EVanderWaals 1Eelectronic_sigma0)PartialCharges Stress#CellVectorsCell Forces#Coordinates# Eelectronic ~~                                 h}voh                           KL`-v0~K^:i9^K,pȮ&*_[mJ@-_P-ZޝE㈃eW#;|tC6ߧ)Xz!Pڒ8ǼCGj.хVXWX ' Lq^5f aGHSw% ,B%r#P&2@7B+/@9+!bʗQ#jkh' -?]%VQ-YϲQZ|9a鍧 189B>` )H-%+Aހ# Zsqf&` 4 ۓr!Av cH}ؑ؂3hW  ;'5TQ4 SLha)(3t'D#B1C1?#%Vp\#FU9ШEN! ^BT bhLP5'`@CF+\5(xkU] =43nCЏX`yQ8,$YF`FTjE( rЖБ5GI<ЈlQY{JZLcS^%K+BYkMfﲅyf0&GJ_q u 8 )@iWXLwrץk͔ I0 lf-X4+A?`\a"YӫmupAseϸ!% )۬2$3WHT/_"FB ][(׈!' 58i R"+.ѫvy9ڶlPtE)Шd [&ޜFɅ$5I%첖 llPu1SW| */ȅJ(T(O >AJXWK4Iч~:#P {>ce!R#<-f-PW0AޘUd_#ʮ"C P EJf[tun؊BKꉇ+HVr)B̂|K,57<$E8hy쐩*%\PϣF:iĎsf*PDI(DM|J)"MoӍz-$smE>cWu0wӨHW- X+غ3S*j‰q,C5#iA_ZfA v=f`+0DaC{%M1ha66'&y 槒ksFY-8שgr$OL!{$FYeyR5'U^`ŶJ$T @}&@cͶ?e q޲h.9Pu`lC@F˘:Eu3ƢH lf tx6]@oHLjdTiŤ ->Z81V#*&enfja(&G5=bUwT1gh1ص ɵ4jz pf#" ` Ŵ+5XT_fxo-}KzI}~n}=lov|GPa?{=nϸon̕䇟&ϣVnbpe^;ow~/t7+wv?Oa|¼'+p  DMF ͐]8{.ifV:Zãqm2<(ȑ>5X7C|@(3Cjgr[.!5xV 3DPcExY|.:5Ŧ=(3r(DčCǜej\MN;$e<)vܻg/{D3Aw ь8I bt:/PⰻvP?_wWoN_ G6"=jēQ'#FvÙ|7dē&#͆4j Ql@YzW,SVydEKQDyB=YY>jUOVVvX:S=J7[x:^D 7[(t~P"' o ]*E *>[NJ2Rhgk)vX~2HG?T~w <|uޮm[pJU׋#t2 u(DH1r?GE?]A7G{`;1WwgY5A|rER5D+fL*0äJcޯ &-C7qE난qP& }o2Tg{z5;$[*eaR3B*gƃfiw~DДI%x3[ZDR4$R54L*ähѯ>SIxt=IhRѻpj\Wƕ q1u5.^3*u-6F].KWgeڸu6H]+QWp5ݸ uq*IUSܟ]lBL`ҫѕԓq5~q 6Sz0F=]sbvv`c\z1D=W~!*qUɸbpU@:ںu Գjk>33VSL=Ù6DŽGd$i!OJӫ~;/o?owsf9?׏?goSda+jb~B/N0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0}}96 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}}96 3eV/Ang 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0}}96 4electron charges Gp|G3 ? 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 3Ang6 K Celldouble{10.0 10.0 10.0 90.0 90.0 90.0}6Anga  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 0.0c # 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   # Eelectronicdouble0.01eV 0xR0 -  FormulaEmpiricalstring1$ 5  FormulaPrimitiveCellstring1  Force_maxdouble1eV/Ang  Efermidouble0.01eV! % EVanderWaalsdouble0.01eV' 1 Eelectronic_sigma0double0.01eVs ) -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 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 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 ='  approximateCBMinPositiondouble{0.0 0.0 0.0}35 ='  approximateVBMaxPositiondouble{0.0 0.0 0.0}3+ 9 approximateCenterOfGapdouble0.01eV" 1  approximateGapTypestring1# ) approximateGapdouble0.01eV# 3  approximateMaterialstring1  Pdouble1GPa  Vdouble1Ang^3( A  FactorEmpiricalToPrimitiveint11Xr@BMBǩ%BpoL-v6Ytm}:ٙBw(a"-7LC(O )Pw( N J ;iYKu kn,Pb0{ƵȍbUHWi dOSn:pV@VƆ<#d|YuѶPa@6bDe"?CM!G(VZMxUEf PO}yeFaW9 .-N2HOfJh="!yuVFO_85'm%U$ >ME ![p) N,Bc:)wmiYHsy|a޾ O,F ^?_X} E4^̆^@ T, oP!0B0 +H,ʻi/dgfWz'zl-i ^RXf3Z*,ڂ~}LsGY pjSe\0<_whFiw?tTiF A x],7 DI puq1iJ2gubfFMg>,j>g?WdclX3fqΉ7WY+FEJgTbc|>/{S ZJ~%̜{>?k bރlcNyeq<\jGuV}|<'v3}EemKذ\[IsnTBekgO2' 3l0ϸYP9QDzO(>~bmjI7(*E揺ߩͩ˧* >\OAn(0Ueȟt@k7PUӹrCc={BuIhd+Jrȓ/uGE[sC'(D_OEUNG*'jr)7%Fugnjϭ7NB&aG<+sԠt1HjǞMI5S〓;Г< c#u=ooĠ* qMwj84FVwp6 RC fd+ zφ]dQ$`y?"Y􇿨J0* Q$˕[6X%@ E(9ݕlq{B 0X557P: :x55434476044 (A(\ 6xA Ыxgk#t1&tnڦ/ip]PI@ec^OyQW M+!酦xj^ El [%A!]lj9' >>ś$,M[wx7Eo:TT/46X"MO mC ]~˄pSM)Ҵ˩9>_+18 px534040P2- !L#c C @@F `&T t fx=0 [IXV*`; pF+GK-[<!M`L7cDZ fiOV mdG-^$]taj~} ',Y 0x ˹U`ϖIBR6c23WU/t#McDŽ(,whByk Tx[n! Эdڢ(&+_#NcWZ,{"2;U?EB3C0ew)b1SVWsLoӠ*s3EWj甙ވSb:YO8F5d[)3NCj}.fJ<2qjHSjıT蕻Wm3w} ]p"2hnj"䶂:[}(/I[zkc2Sv5Rs֝cr o=q`-{_*y0U0&JrDcQ!OEmG;+uu {־)S.6m֗2]'Scp\{%?VPuNu==:*r|Ě')(n)γ"9[2ͣT-V0D0ew"44W`1SuX[P hWA* &x6PZ!- Zx63]=CKCsKT]Cs#=ssSSS 6f ,x3311152 ,xK,JM.S ,x3304542 .x+.I,/Y *x33057  (x0131\: x355  . xM7404 6c  2 xM7 6710N  , x33040  * x5302Q[  , x5ճ4310 6x554344760