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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems a'M<"@^)?gj+!@.4W@4@([Z?S:X?kHc@Ӈ.o@t//@@L2r@rß@^) @ŏ1w@([Z?@j @|@Ӈ.o@R@x@ٔ@rß@_@bհ@_@x!@(rw@_@bհ@3ı.n@_@@z!@_@bհ@i!@_@Q,"@O#-C@^) @4@([Z?@j @kHc@Ӈ.o@R@L2r@rß@_@bհ@t{Ic@o@q?w$@,. 6l5@vasp{}gR=gR=Am ?OUڿ"ڎ?L1%ϛTXM?QF\?@T⶿}?5^?{mm? F%uj?du*Քd?ю~7?A]P8'0Am OUڿ"ڎ?L1%?ϛTXM?QF\@T⶿Am? ?OUڿ"ڎL1%ϛTXMQF\?@T⶿??,;c~ƅ!Y?^W?m5 ?n+?_wēN ^Am? OUڿ"ڎL1%?ϛTXMQF\@T⶿p?nM- !ڿ_^}t? h'?GȰ[a/ฌ;B?X:%?{mmቿ F%uj?Ip*?Քd?pt?A]P?8'0p?nM- ?!ڿ_^}t? h'GȰ[a/ฌ?;B?pnM- !ڿ_^}tꚿ h'?GȰ[a/?ฌ;B?6>4?,;c?~ƅ!Y?F#W<m5? ?\O?_wē?N ^pnM- ?!ڿ_^}tꚿ h'GȰ[a/?ฌ?;B?x#ȞY?iBD֎?5~J'x? 3{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -184.198, "absorption_energy": -18.364, "layer_distance": 2.048, "delta_charge_bader": 1.008, "dipole_bader": 9.915, "delta_charge_hirf": 1.288, "dipole_hirf": 12.667, "index": "(110)", "absorped_atom": "O", "absorped_pos": "f"}{}1? E@?Y@@il #M ee3d7cec96f36cad686cf8632055b3b8   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_posf' absorped_atomO index(110) jN. # dipole_hirf@)U$// delta_charge_hirf?S% dipole_bader@#zG1 delta_charge_bader? ěT) layer_distance@bM/ absorption_energy2]/w(E absorption_structural_energygVu$= adsorption_atomic_energynP%? adsorption_surface_energydl  version9 #M ee3d7cec96f36cad686cf8632055b3b8   @5 *G3=  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