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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems ^'M<@BBu?3Mg' @x&@3Mg' @BBu?x&@+ @+ @,.@^)?^)?^)?_@_@^)?_@_@;f?;f?ۧ1 @8b->?!<8b@  @!<8b@8b->?  @b@b@bE ! @C9ѮBJ?C9ѮBJ?=>@[Z ?@j@x&@@j@[Z ?x&@p>@p>@,.@^)??_@?^) @^)??^) @_@?dm?RQ?y;i@DԷ @L1@(a_@Ù @x,?(a_@Op @@ʾ+@ı.n?T㥛Ġ??x "@.s,&6?)@H.!"@72 @1?H.!"@9W @Z)@`MEJ"@^)??^)?^) @?_@?_@^) @?RQ?dm?y;i@x,?Ù @(a_@L1@DԷ @(a_@@Op @ʾ+@T㥛Ġ?ı.n??x "@1?72 @H.!"@)@.s,&6?H.!"@Z)@9W @`MEJ"@"~*@"~*@0ACt$@o@o@ME8@vasp{}h/Odh/OdH5C?H5C?Ũk}?噗 x#ȏ?,? x#ȏ噗?,?Pi4?Pi4?RC ?0 O0 O#c40&=!7 N}=!7 40&N}ua?ua?K %vmo?){K9_썿){K9_썿R||Bvޮrrg&zUb?B@ Pl?xeǿPlB@ ?xeǿD4ؙD4ؙ?JnIcc?\Va3Է鲘xHĔH?DŽKk?HĔHԷ鲘x?DŽKk??Vb[?x $(~?x $(~AvĿDKKƁ>>tA}?5vꭹ>>tA}DKKƁ?5vꭹ6T76T7?w ۷p71$'sp71$'s?>Ub?B@ ?PlxeǿPl?B@ xeǿD4ؙ?D4ؙJnIc?c\Va3Է鲘x?HĔHDŽKk?HĔH?Է鲘xDŽKk??Vb[?x $(~x $(~?AvĿDKKƁ?>>tA}5vꭹ>>tA}?DKKƁ5vꭹ6T7?6T7w ۷-q-ے?q-ے?_E>?b#V?>r{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -193.479, "absorption_energy": -21.14, "layer_distance": 1.083, "delta_charge_bader": 0.756, "dipole_bader": 3.934, "delta_charge_hirf": 1.11, "dipole_hirf": 5.776, "index": "(100)", "absorped_atom": "N", "absorped_pos": "b"}{}1?כ7M?M?۞-q@g"@nzH #M 4a904ca65ae029000faaa599f3b22353   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_posb' absorped_atomN index(100) jN. # dipole_hirf@vȴ/ delta_charge_hirf?\(% dipole_bader@xF1 delta_charge_bader?1&x) layer_distance?S/ absorption_energy5# =p(E absorption_structural_energyh/S$= adsorption_atomic_energyE%? adsorption_surface_energye&+  version9 #M 4a904ca65ae029000faaa599f3b22353   @5 *0  hecc  vasp   e>T.$|%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