SQLite format 3@ .  ? ^ B 8Ed\%/sindexnumber_indexnumber_key_valuesCREATE INDEX number_index ON number_key_values(key)T!+kindextext_indextext_key_valuesCREATE INDEX text_index ON text_key_values(key)<Sindexkey_indexkeysCREATE INDEX key_index ON keys(key)H ']indexspecies_indexspeciesCREATE INDEX species_index ON species(Z)W -uindexcalculator_indexsystems CREATE INDEX calculator_index ON systems(calculator)Q )mindexusername_indexsystems CREATE INDEX username_index ON systems(username)H #aindexctime_indexsystems CREATE INDEX ctime_index ON systems(ctime)T +qindexunique_id_indexsystems CREATE INDEX unique_id_index ON systems(unique_id)[##tableinformationinformation CREATE TABLE information ( name TEXT, value TEXT)*//tablenumber_key_valuesnumber_key_valuesCREATE TABLE number_key_values ( key TEXT, value REAL, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems v(MD\{\lw 3842ecd9e19805184810f1325acb39a3@7~ V@9$B hecc////////////////////////////////////////////////////// vy? vy?LJ'@{w?D!T@$bJ$ѫ'@ vy?0GT@LJ'@D!T@{w?$bJ$ѫ'@D!T@D!T@v28J^'@D!T@hU@$bJ$ѫ'@0GT@ vy?LJ'@hU@D!T@$bJ$ѫ'@0GT@0GT@LJ'@Grw@]P2#@H0[w@]P2#@.9#@}y@}y@ #@}y@-[닄v@ #@Grw@]P2#@-[닄v@}y@ #@-[닄v@-[닄v@ #@H0[w@]P2#@Kvlu?Kvlu?u@pUjv?D!T@ަ?@Kvlu?ٱU@u@D!T@pUjv?ަ?@D!T@D!T@EB[@D!T@hsU@ަ?@ٱU@Kvlu?u@hsU@D!T@ަ?@ٱU@ٱU@u@ N]y@fk}v@fav@fk}v@ʡEs@Pkw@Pkw@u@Pkw@vӂw@u@ N]y@fk}v@vӂw@Pkw@u@vӂw@vӂw@u@fav@fk}v@w?w?R!5 @w?D!T@R!5 @w?LTo lU@R!5 @D!T@w?R!5 @D!T@D!T@R!5 @D!T@LTo lU@R!5 @LTo lU@w?R!5 @LTo lU@D!T@R!5 @LTo lU@LTo lU@R!5 @HȰw@^o%;?HȰw@^o%;?^o%;?HȰw@HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@^o%;?QI.@g!@g!@7@@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}a_1(a_J #9vZ9vZZ H/U+C?c#W?9vZ9vZ?Z H/U+C?c#W?f,p?U+Cc#W?9vZ?9vZZ H/U+Cc#W?9vZ?9vZ?Z H/O!WY@GO!WY@?G2|s?G 6u^G 6u^X|[TgG 6u^G 6u^?X|[TgO!WY@GG 6u^?G 6u^X|[TgG 6u^?G 6u^?X|[TgO!WY@?G\*p?\*p?_>Y1\ yk?}e_?\*p?\*p_>Y1\ yk?}e_?JCB? yk}e_?\*p\*p?_>Y1\ yk}e_?\*p\*p_>Y1\scJ!Kls?cJ!Klun?g,{"?g,{"?h㈵g,{"?g,{"h㈵scJ!Klg,{"g,{"?h㈵g,{"g,{"h㈵s?cJ!Klti ti ps+,?nfc%ti ti ?ps+,?nfc%,zm+,??nfc%ti ?ti ps+,??nfc%ti ?ti ?psVF?8Oyt#,*?VF?8?Oyt#,*?ɵ? =EQ? =EQ?)x R϶? =EQ? =EQ)x R϶?VF?8Oyt#,*? =EQ =EQ?)x R϶? =EQ =EQ)x R϶?VF?8?Oyt#,*?7QKs+u?%,Ry?%,Ry?D]QI??%ho{"str_E": -138.9748, "slab_E": -138.95552, "atom_E": -0.0125517, "ads_E": -0.006728299999980645, "distance": 3.44385, "Dipole_val": -0.0132686, "plane_index": 100, "ads_site": "2f"}{}7?BCJ?yRã,%@-+Jl@ #M 3842ecd9e19805184810f1325acb39a3   systems   /6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site2f rr# plane_indexd! Dipole_val,Xx distance@ : ads_E{"GRM atom_E! slab_Ea^Ց str_Ea_1  version9 #M 3842ecd9e19805184810f1325acb39a3   @7~ V  hecc  vasp   /  ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E   ads_site #plane_index!Dipole_val distance ads_E atom_E slab_E str_E