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0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {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 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"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) $qCXPVAFactorEmpiricalToPrimitive -FormulaEmpirical 5FormulaPrimitiveCell Force_max Efermi %EVanderWaals1Eelectronic_sigma0 Stress#CellVectorsCell Forces#Coordinates# Eelectronic                                               O=$|B3wZ)=&qnq|<ɉ%w[~ ]v7َ۞!5X |Y/.|=ws N;IcI^HFhBڂqZD,ыҜ\L^Ȁ\[`)7 Vt~|Pr&dDR%F򿬿 VZp'tg=0EG}{~"XHGFpY;`2Ajc4O#:y̨=e~X",cx Ph7-  G A*SVs28x+#@8 C ˅<3a<@V:P>W|$ 1TɀQet!7p`Ŏ)˦$Ybs q&`0I䤜.F " -S $"zM6 20\:B5@-j)`5II I܁ODNSd6,sEP* x+A:ɢZ&.Hk U`@R 091[vN2#:ޭ2?m$L`*2%:÷rY`:1q2< 3DG$FY@-O-Rg P5!N|bQȈƅ]5 O,!SYs*0 X|I 1E<a@Bxp3D,!Pi0 o?.&chnd (g"ďHpD@8?\KM@b2'\A@f咷Tr!'m$RC7f,bҫTJF%Mه?JtJh]9٢zd(A4+϶j4Ar|㿬{veɌzJ$ٕ+Az6v& 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0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0} {0.0 0.0 0.0}}130 3eV/Ang @ #G 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  # Eelectronicdouble0.01eV //N #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> G 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} 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