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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems `'M<"Db?s@h:; @PN?hn?W[$@KTo?C+ @vöE?],σ?Gɫs @&䃞!@ ףp=@~nض@70?:ǀ @@+@Zd@Gɫs @@yS@\wT@z@w;S?"@c]K@ؙB@_L @ AJ@d?L$@bbq@%#gaO@̴++'@q?w$@Y jƄ@V|9@vasp{}h.%u!h.%u!8TԴi?r ?*A*Ş?s//? "Dti?{ʄe6|?c:⮦?h,{p\M 4o{m]!sePmp?Lg?kծ?P( ?w'-\?ur !`?Vf\?ÜM7w?ti?NtsV{ c:⮦?9*7QKs{b*ߣ{m]X!6>4a?Ap-NLnA@JޮuJói?ZF=~?jq?;%8R ( 4\&{G\~l?:œ?̿?=x ~{ڕ6\䞮?)h?ߠ?K?wt? ?kM.ާ?yCn[? x#O?Z.S\E^Ӄr?@Û5x_e?"[DA'K툿m㛿{b?0-a? y?k?"tu?Q¿BBjLT?#sx#{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -193.454, "absorption_energy": -21.515, "layer_distance": 1.459, "delta_charge_bader": 0.688, "dipole_bader": 4.82, "delta_charge_hirf": 0.625, "dipole_hirf": 4.381, "index": "(111)", "absorped_atom": "F", "absorped_pos": "h2"}{}1?Ӑ+?Z<@5b#@i #M 1a0341bbfa95f6803efdda35a25ae31c   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posh2' absorped_atomF index(111) jN. # dipole_hirf@$// delta_charge_hirf?% dipole_bader@GzH1 delta_charge_bader?tj) layer_distance?XbM/ absorption_energy5 =p(E absorption_structural_energyh.+ J$= adsorption_atomic_energy"`A%? adsorption_surface_energyepn  version9 #M 1a0341bbfa95f6803efdda35a25ae31c   @5 *w  hecc  vasp    e>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