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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems (MT<{>tAM @@6{$@^FR @(\@nl$@^FR @Q%@nl$@4ctv?D@2!@kC4? @[ ,!@4ctv? x#)@2!@f6 @D@2!@g @ @[ ,!@f6 @ x#)@2!@rCQ@E@;!@rCQ@ @Hh+!@rCQ@vꭁr?;!@ K [_?ܠ[;Qb{ [_?i[a)aܠ[;Qb?{> [_?ܠ[;Qb?{ [_?W>IӠh^uaD? rhqW>IӠh^?uaW>?IӠh^uaD rhqW>?IӠh^?ua{ qi/J_aW9y{ qi?/J_aRb.9?DXPX?.9DXPX?5f fLgsIaLc?uBYz? !p$pIaLc?uBYz !p$p5f? fLgsIaLcuBYz? !p$pIaLcuBYz !p$p?̔?dWZF=eQ,Rkt=q?,Vp??̔?dWZF=e?Q,R?̔dWZF=eQ,Rkt=q,Vp??̔dWZF=e?Q,R}f 'ix|yq}f? 'ixp>?@%Ί>_ aR?%Ί>_? aR?Tqs*9ɐcY¾DQGR{QF̱^¾DQGR{Q?F̱^Tqs*9?ɐcY¾DQ?GR{QF̱^¾DQ?GR{Q?F̱^x7N n@_Kl$ ]E~U?i-'x7N n@_K?l$ x7N n?@_Kl$ ]E~Ui-'x7N n?@_K?l$ 4wo?ޫV&߿ K߿4wo??ޫV&߿w(?{/hGOqN?{/hG?OqN?*ø[Ԟsb?LT#kK`N?LT#kK`?N?*ø[?Ԟsb?LT#k?K`N?LT#k?K`?N?𑢲b?UF~?G?5`?! v{"str_E": -221.77941, "slab_E": -218.52697, "atom_E": -0.29886761, "ads_E": -2.9535723900000073, "distance": 1.23917, "Dipole_val": -1.99638, "plane_index": 110, "ads_site": "2f"}{}I?s4?b@Y@˶D8K