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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems n(MD\{\lg ba8c986242c006d3fe22a81a5500485e@7~r @8z6uhecc oG8-x@mscz@/4i,@h|?@lIF@e'@(@V@K'@6 r@Ɏ@?7Ou'@Ե@n@ m9'@vi@V@K'@!q@*g\8P?G'@C4!@lIF@e'@oG8-x@-9(@>'@wJ\?*g\8P?G'@6 r@T:X?#@C6@Z![ @Qf#@g?@A`@H#@ezF@cz?3d#@Ե@sFZ* @H#@~tg@A`@H#@d`@cz?3d#@E!@Z![ @Qf#@v$@<8b-@yS #@-&6׆?K;?*-9@6 r@9@@ ^@ΪV@&kC@@K;?*-9@@p:@pZ@OIҵ@g@%u@Ե@?uYLl>@9d@p:@pZ@:}k!@ΪV@&kC@yt@B=@(\@R?o*@80@+ٱ@OIҵ@:ǀ@g?R@Ե@VHI@1Bxq@}b@80@+ٱ@?!@{@@f!@B=@(\@v$@58EG@[ A@t{I#'@{@@6 r@9b->?镲 @ 1@ @镲 @S!u@UD@镲 @oG8-x@9b->?镲 @Ե@ @镲 @ 1@UD@镲 @ 1@9b->?镲 @:H!@ @镲 @v$@UD@镲 @6 r?9b->?{,}?6 r@9b->@{,}? 1@g~5@{,}? 1@9b->?{,}?S!u@9b->@{,}?OIҵ@g~5@{,}?Ե@9b->?{,}? 1@9b->@{,}?:H!@g~5@{,}?1@ 1@9y @ ;@@[{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}]vasp{}h`tK+whgA|Qc#G?mQQfL2rf?$xC%g?_Q;V?Zo?oӟHI?V&5m?5Vo?_Q;?V?Zo??̔?z>.8_f?QfL2rf$xC%g?6w\Fym??̔z>.8_f?ޏ/H?b[>N?Tqs*)dC?DAc&q?ZQfC?En1/iu?C8 !?u6Ir}x?صݒL?Wyax?ZQfCEn1/iu?C8 !u6Ir}x?Tqs*)?dC?DAc&q?S!uq[}zlˀt?_&mDe?f I'R?$jd?wb֋l?9̗(֩=#Q?yZ?_&m?De?f I'R?m77M]?صݒ?֦F?Tqs*龡[;Qb?~oӟHQ?-YU?m77M]صݒ?֦F?9̗?(֩=#Q?yZ?9?DYc@z?DAS?wGo?/nB?Pl?2tb?'>Yc@z?RC P?fLgQ[?oX?E;??N?A>򚼯H{"str_E": -195.01837, "slab_E": -192.84492, "atom_E": -0.225, "ads_E": -1.9484500000000025, "distance": 2.38444, "Dipole_val": -4.5131, "plane_index": 111, "ads_site": "1b"}{}7?y&k?;E@ #@ #M ba8c986242c006d3fe22a81a5500485e   systems  6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site1b rr# plane_indexo! Dipole_val jOv distance@UGZ1 ads_E,>Bf atom_E slab_Eh  str_Eh`|H  version9 #M ba8c986242c006d3fe22a81a5500485e   @7~r  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