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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems _'M<nheccKTo@%#gaO?h㈵?Zd@Gɫs @vR~@`vO@ e@1%@Բ? .V`@`Y~?%;6@J_{ @ۅ:?m2{?ę_$@KTo?C+ @vöE?],σ?Gɫs @CVzN!@@ e@,Ԛ?[K @ .V`@yt?xZ?J_{ @mnL AJ@ę_$@!vyC+ @uT5A@],σ?Gɫs @q>??>d@2 {@a-ʬ @hU @z@9]?t{Ic @~j?]zk@ʄ_$@h㈵%#gaO?[Ɏ@Zd@Gɫs @Mb@\4@ ҌEӹ@/ ҌEi:;?iƢ @F?@(yu@]ʻ @XV/@?'I$@ܝ.@%#gaO?vꭁ@Zd@Gɫs @˄_@[tY@[%Xμ@i5$@^x?4@@SW@W}W @+ݓG@ܝ.??m %@pӰ@C+ @uݰ@],σ?Gɫs @N(D!@>x@[%Xμ@҇@!Y @4@bbq@1_^}t?W}W @K@:H?@?m %@Nz1@C+ @!@],σ?Gɫs @]wb֫@;S@ec]@,}@ī @x @ T!@mnL?- @VC@6v@W}W$@bbq@%#gaO?=>@Zd@Gɫs @0|DL@|'f@<,Ժ@҇@=Ͻ?t// @cE a@k)@%̴+ @"u@^T? .V%@_YiR@Uy @Ͻ7'@q?w$@Y jƄ@V|9@vasp{}ho8vHܓho8vHܓJU?JƢ?l?I ?|?SW>BwIQc5k?xF[Dr?%:z(XQi?{ȭRxФْU?O9&Ke%˶ֈME*-?'*tl?Am?[d8?SW>l\|?F}{xF[DuʣkՔd}?(XQi?T[rq!FVْU?=M qv˶ֈp>;ສ_`ݞ)Xl?Q+?聏?S?>[{c?;~V?qR8?f}?;2t?=UO;5YnɋLa+Xڠ;ŪAۍם Yݚ?{ȭ?JCB?~tgy?eÿ~P)dU6o|? Į햿PۆQplf UܸŌ?3KԂr#D}Az|?30&"Twݗ3?k=߆f\ ?F"4mrrJ@L±֦V#fF?J$`tysvuoEbJY+>O'S.9(acḌhx1!? ҅?dwWͿND~Zd;?%I(}!?z6>?o +?GR{QZa/D Y٦?*T7ۃ? Įv?piݦeS.?  ?5D ovp?a/? %S;ÄĖMd? 4\?ó@|?戣?!8?F%D?pmQ?MaV?>2E1{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -195.476, "absorption_energy": -22.428, "layer_distance": 1.069, "delta_charge_bader": 0.929, "dipole_bader": 4.77, "delta_charge_hirf": 1.08, "dipole_hirf": 5.546, "index": "(111)", "absorped_atom": "O", "absorped_pos": "h1"}{}1?Ku?|@@5b#@il #M caa0727757d17959805308edc0b72536   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posh1' absorped_atomO index(111) jN. # dipole_hirf@/v/ delta_charge_hirf?GzH% dipole_bader@zG1 delta_charge_bader?^5?|) layer_distance?vȴ/ absorption_energy6mhr!(E absorption_structural_energyho;dZ$= adsorption_atomic_energynP%? adsorption_surface_energyepn  version9 #M caa0727757d17959805308edc0b72536   @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