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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems ^'M<"D?#b@?Ŋ@ySh @@Dl@D!T?{/L @ek?m4@9}$@h㈵%#gaO?[Ɏ@Zd@Gɫs @̌@oӟHY??Ŋ@ K@Zd@Gɫs @( <@'"@^K=@n/i@Υ?B"@S.@/񝘵@ @N#E@L2r? %@eM@%q@od&@q?w$@Y jƄ@V|9@vasp{}hYghYgh.KR7ܘu]?>tA}˴E2+A:vٯ"X q75?4?_ ?Þvk?.5?/ ?"4?cϞˬ?9ȱF??ȷw {?"DR? PS?9x&4I}гYzȮԋaq6? [v?W"$wDf?^1 O!}Z?[1е)nE?s)*?hUMN@ao%;6?^9x&4IhȎd?HR?aq6?efb10&?$wDf?&br} ~1[&pn v?N1n/iTN{Ŀ ^" l; Ln?\{?J= By?e~?o& ?8ㆿc?0/>:u?(N>_v?Oyt#,*?^sa?vS? Tƿϸ?RcB%Uڐfx_Qk ]?nRa|(Bvuʣ[OՐǶOVΆ\Bt*]? 2t?u>+?u:꫿PĿ=@̆?_>Yю~78c"[Aӂ?+pW?gzL\¤? ?u6N?V/'?^o%;?Zm?n;2V6D??b`#B&?# _ ?s ~?Q$+M?҆{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -194.8, "absorption_energy": -22.038, "layer_distance": 0.92, "delta_charge_bader": 0.625, "dipole_bader": 2.763, "delta_charge_hirf": 1.592, "dipole_hirf": 7.036, "index": "(111)", "absorped_atom": "C", "absorped_pos": "h2"}{}1???@5b#@p ě #M ec4051423905e4d703daf276273baaf6   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_atomC index(111) jN. # dipole_hirf@$// delta_charge_hirf?xF% dipole_bader@vȴ1 delta_charge_bader?) layer_distance?p =q/ absorption_energy6 ^5?}(E absorption_structural_energyhY$= adsorption_atomic_energyE%? adsorption_surface_energyepn  version9 #M ec4051423905e4d703daf276273baaf6   @5 *  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