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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems a'M< @HQ @xZ@ep:?v @J +?C+@0$@h㈵%#gaO?[Ɏ@Zd@Gɫs @Tt$@MbP?-Ľ@iUMu?F=D?٬\ @Zd;@eN@k) @=s@ʾ+$@ܝ.@%#gaO?vꭁ@Zd@Gɫs @d@*g\8`?@ޫV&@4@5l? B @H|@6~@ @IK@SW>@C9Ѯ%@pӰ@C+ @uݰ@],σ?Gɫs @,)@ B@@ޫV&@=@=U @ B @q>?@g?RD? @\m~@B=@C9Ѯ%@Nz1@C+ @!@],σ?Gɫs @hU@u7Ou@_{fI@ @}"O @Oz1@a!@ ҌE? y @Nz1@Mb@~T$@bbq@%#gaO?=>@Zd@Gɫs @ y@ D @ʸ@U+@G?d,@/'@GȰ@}yѹ @{ʄ?@s)*?H%@$]3&@ @&@q?w$@Y jƄ@V|9@vasp{}hi_Bhi_B4)^?,?qŦ?e9 /l͑_?kMG7vq -`~@?|~!De?F?F ek=&R͓?OsL`R||B?SͬP>¡2t젶y?01"Qh?qŦ?]?49AkMG76` ?q_!|~!ºȈ ({?=&R͓?mXw?O9& fLj?2t젶eYJ zeȱ ?g٢?Õ?/$e?)wʼn|}Ң>?=?y7v?vSDzu݁ѭtaod^4GV~QMqEgE( ؞?=x?뉮??b (BveW\YʩajK]?hK6l?+t?ap$ -*샜^HTkaډ?-s}?3˿ iA'?ynU?JbI?Xo ?~sanr+hZbe4?7wt&m!O!Wꉿ1|z?'OYM?CM^H?Ie9:z?S?HK?,{ؤ?JbI?p?uRz?anr _?; ?t&mRG -'OYM?0&>wd6Ie9:z?d!:Z_$匿?ܙ s̯4}vu?֍wGj?iwak?5Φ#o +]px)W{Vp?㊋rc?ppN\WX\T%RBè? [?bʿCi:Ȣ?"tuǢ?h#M)? zR&5?58EGroa}HQ?U]o?m?>*xgw?*wk?\7?܃/?oB!?obHN&n&{%9`Wё\C$A|6?<??D&qtB?@]_=P?#b.:??){"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -195.283, "absorption_energy": -22.521, "layer_distance": 0.971, "delta_charge_bader": 0.617, "dipole_bader": 2.876, "delta_charge_hirf": 1.559, "dipole_hirf": 7.269, "index": "(111)", "absorped_atom": "C", "absorped_pos": "h1"}{}1?9B: ?6|A$@5b#@p ě #M 2262a8a67aeb33e8e5aa8caa5882ecde   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posh1' absorped_atomC index(111) jN. # dipole_hirf@tj~/ delta_charge_hirf?l% dipole_bader@ I^51 delta_charge_bader?vȴ9X) layer_distance?nO/ absorption_energy6`A7L(E absorption_structural_energyhiV$= adsorption_atomic_energyE%? adsorption_surface_energyepn  version9 #M 2262a8a67aeb33e8e5aa8caa5882ecde   @5 *U|  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