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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems `'M<@oB!@Z@^) @([Z?^) @46<@)D/@^) @czh@_@!vy?rCQ@Ӥt{@C9ѮB@> Y@&pn?ypw@_@Nz1@bX9@bh?L7A`@[Ӽ@Gɫs@#EdX@^) @!vy@([Z?^) @C8@^) @@ 0@ŏ1w@([Z?wJ@4@ŏ1w@.R\UV@^)?bհ@6[ ?xqZ!@L7A`@+?:@#EdX@^)?@z!@zk`?70@C9ѮB@v7OuM?D!T!@ypw@4@([Z?ŏ1w@VC@}@Z@^) @ŏ1w@([Z?^) @oŏ@)D/@^) @ŏ1w@W/'@_@bհ@bX9@xqZ!@L7A`@[Ӽ@:@#EdX@_@@z!@rCQ@70@C9ѮB@> Y@D!T!@ypw@^) @4@([Z?^) @ŏ1w@}:3P@^) @ ^@ 0@^) @ŏ1w@:ǀ5 @o@q?w$@,. 6l5@vasp{}fl Ffl Fht3ѿD$]H_t  QF\j?,%I(31]?*5{x?{G 1?k$ 5$?0`ɥywd6'z[rPL{?gG?4($u??f5{:fӜ?(&2sg񁵿Hi׿=)[$~:es~ѿՑ#_s0jMStQF\j,%I(31]?*5{x{G 1?k$ 5$??0`ɥywd6'z?[rPL{?gG?4($u?f5{:?fӜ?(&2sne2nSտ3KԤ)=4a/\sGͿD$]?H_tPֱ'z[rPL{gG?4($u??f?5{:fӜ(&2sQF\j?,%I(?31]?*5{x?{G 1k$ 5$?0`ɥ?ywd6g?Hi׿mIF¶?~:?es~EҿՑ#?_s0aq6'z?[rPL{gG?4($u?f?5{:?fӜ(&2sQF\j,%I(?31]?*5{x{G 1k$ 5$??0`ɥ?ywd6ne2?nSտ.[T.$|%absorped_pos 'absorped_atom index #dipole_hirf /delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy %absorped_pos'absorped_atom index .e>T.|#dipole_hirf /delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy