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<@Zd@Gɫs @`vO@A4F@?@mJ@7d?)A&@XV@|,}肺@Q @5o@x $(~?F$@$\K@a4o@;%.'@q?w$@Y jƄ@V|9@vasp{}h. Yh. Y ~쁦}!?Qԙ{H bk%"ܼ:6U+mz`d%TpxA?8c?ۢ?$?z"0֧?SVӵ?4)?]P2?9#J{iVy˅?Tqs*y?HO?a)?vrs?`5!}"Or?Fҿ$e?\$??ڧ1e?/CX?R M]/MA"`泿 ѧ@H0FT=ǿN*kg؞Y?B!J?St,_??aQ¿!J.?ƟlX?j1xͥ_:Ts\mOd*g?(?H.ٖg)Y?g uJ>YUp$`S?m6VbB!J?p?zюaQ¿0H?E^Ӄrj1xͥ`VCK_?d*g?@Pvۅ?ٖg)Y?`=[:Ru?YU mnJy|?ۻѓ2?T1ÿ1$' X歺Մ=e5]Ot)7Ӆ?= NP|?&P"?l#fF?"ߚ?p\M 4?>?5>?lBZc ׻??v?^?ڮp?~jtc?bT4֎ 8KrB_L5 Z+ڸ?/lV^?Xۼq?(r\?bFx{P?9x&4IMbX?TC?^I\ǿBF7vݑڴ?2?֪}?YvQ?$' bĿ\qqTnfS?+mqdY?Zy?bJ$(fI'1闈?DJ?˻󸿇5Ea? Q?Wel访2?.ҥ?u]$' bĿ Rr?̲'9+mqdCpy?y?7n"1A ߢ?1闈?z0q3bb?5Ea?cz(k [_EJC?w??"?yI6s?RH1L?##E8{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -193.439, "absorption_energy": -21.647, "layer_distance": 1.106, "delta_charge_bader": 0.067, "dipole_bader": 0.354, "delta_charge_hirf": 0.943, "dipole_hirf": 5.01, "index": "(111)", "absorped_atom": "B", "absorped_pos": "h2"}{}1?S@\6?wÊ@5b#@ 7Kƨ #M f5e65b6df5efaa4dfdb9f7b5b8397d6f   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posh2' absorped_atomB index(111) jN. # dipole_hirf@ =p / delta_charge_hirf?-V% dipole_bader?֧-1 delta_charge_bader?&x) layer_distance?-V/ absorption_energy5(E absorption_structural_energyh. I^5$= adsorption_atomic_energyѩlD%? adsorption_surface_energyepn  version9 #M f5e65b6df5efaa4dfdb9f7b5b8397d6f   @5 *C  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