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_creationWed May 10 10:43:34 CST 2023 C Q# 9.90059 25.2797 22.3 90 90 81.1842Mg8S8O80H96magnesium sulfate hexahydrate (COD #2011043)_P1 (0 1 1) surfaceP1xK%qӿ"m|?v(X#YT^aϨy=MCĀ߉7´<̉{++'Ή/{xzw߽pO=ݻ?oM!~[ s|/>>믞>y?^?x߼>~_Ͽr_|=vw+{WOsÇQy?o|Ӄ:>|yᇛ/{ }1Jm1|n_CL5Xs[o F/JzbǬkK|^.Zʩ6썵# | _ܫK=B㳔K7?!o.oz<55&k 닝:S!0gHO Dֶ<'WBUC ;XJ*6}5Ր cJo1SeJ>-mqc#ۄ=h#j.,zm91P>$~Bki>dLq L;Rb  $$ # 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  # Eelectro# >>: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 '' )/m Xx5k)8@Opκ Hx'2bs?cϾ8m~=}g_gww;9ϝh}Q_9nkcg7o~Ʒj7f>D =n;=NMYvf-;]yt}3O=2=|cR笹>lz֪y]E]mg;.qՈq꾜rEA=Q3g̞qg~NJ)Ffm|=r7r}g}WMV|h5Ƿjo_\ |m7^I-父1|EZ}Fdv݌]F@Ќ 2fs=_7=H @ }QOͮdD{ŲMw;-׌x;y;圧3 ru6'prvrvW$/Ü%08qrFޤzUgĚj2KVpt&Q8 xdT"$,p5 wY l$50o^}Ip68Bx Q¹|r88$LK~Pj% . 񸄱5;G,!@/ [ŅtZ Ok%4\EYCs/oaAe.&o#8kВmAI-/9<y[uKNB"ۨ<]ǷwHĘ +ںA@avXRȽLhy:}F`nxGU!pt=va \m,=B HG/dp:4b;P> l!Ê0\9PV2FX BN_"tñbgC>Ys5 Ɛ[ ^1:H3Njg%NJ JA+16yL'=0Q9^OXHY @$&`MBV#=ˆ%1mAm(UTK 1FQanT|bL3+v!gmB0bC1 6h1(~BU˞Z2h[jb$Ó8cֺG0ɆVKG|1}QT93}9A[, ex؛w `\B(f.THM#@0`=UttFtvi}Jja6Ҵ xG:"Tm#1"{:ã>M,鄋|RFp3KԾ[ٳQqlߑ #7c'LU8fgM\e@R$ tv蠟d]:b#@L.bÒeT\#HEΘ$e _LGwd,Ȉ,? 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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}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 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0."0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0} {0.0 0.0 0.0 0.0}}192 4electron charges =9g=%t=5 ='  approximateVBMaxPositiondouble{0.0 0.0 0.0}3+ 9 approximateCenterOfGapdouble0.01eV" 1  approximateGapTypestring1# ) approximateGapdouble0.01eV# 3  approximateMaterialstring1  Pdouble1GPa  Vdouble1Ang^3( A  FactorEmpiricalToPrimitiveint11 -  FormulaEmpiricalstring1$ 5  FormulaPrimitiveCellstring1  Force_maxdouble1eV/Ang  Efermidouble0.01eV! 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