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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems a'M<tA}@\m@vi?W> @@9d?Ϡ?B @֭7%P6@9]$@!vyC+ @uT5A@],σ?Gɫs @&6׆?ϽK@@j'@nhW @KTo @@@YB?*Wx @HIOG?Q@x $(~$@h㈵%#gaO?[Ɏ@Zd@Gɫs @t^c:?m@@j'@"uqt//?KTo @_@ @*Wx @rZ| y]@x $(~$@ܝ.@%#gaO?vꭁ@Zd@Gɫs @:}k@/nR?wJ@9]@ƅ!Y?iƢ @@"2@G`@u @/@7qrC@k)$@pӰ@C+ @uݰ@],σ?Gɫs @JY8@YLl>@7l[@YLl>@vۅ @UD @m@:M ?(IL @8P@T5A}@%@Nz1@C+ @!@],σ?Gɫs @Z!@`<@3.@%@P}: @y#@g?R!@ y?= @d@)\@n2d%@bbq@%#gaO?=>@Zd@Gɫs @}˜.@)3@3.@{专@47?y#@K@(,񀲩@= @M@ ?n2d%@( @s`@4ctF'@q?w$@Y jƄ@V|9@vasp{}hl $hl $ل!Ugْi2?ɋL? >?jQL?FT=oN)]bt?Et?$,h?h>nKF@?]9s?ӹph>?TN?{,}肪F]kSU.S?ާА'@jqWs`U~>qxԘsIF$ -?R{mDŽ?rkr]?IVяv5yjPeo)?{jg렿?L!%oFW?1cg]J]27n1?7GjW^"kfW~?q„q?rSrNg)YNr5+-#EKOΤ?Tb?fIZ̿6=((E+eM.Cp\M ?F\?SV?^a?+`pmJ4a-?"ualXSYT_vj.7XV&5m?`?sf1?74ex)u8FJCBbyS ?xcAaPqM?%Z?q{c?MG7ÿq@H&Q?! .Ћ6h?EJY?FENՕ º}F?9z~dJ>Ȣ?]~p?Gsd嗡?M?u? ?? `-MG7ÿɧǶ ?/-|!릔w?-vEJY??74e;f_}F?\56?>Ȣ?τ&%妿,oX|[Td-3?f@? u~C?wIdD?b_ R?C{\)V??I {"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -195.376, "absorption_energy": -22.328, "layer_distance": 1.102, "delta_charge_bader": 0.936, "dipole_bader": 4.955, "delta_charge_hirf": 1.011, "dipole_hirf": 5.349, "index": "(111)", "absorped_atom": "O", "absorped_pos": "h2"}{}1?Wk?3-d@5b#@il #M 8216d2cba17533f871731eea10c9c807   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_atomO index(111) jN. # dipole_hirf@e`A7L/ delta_charge_hirf?-V% dipole_bader@R1 delta_charge_bader?E) layer_distance?o/ absorption_energy6S(E absorption_structural_energyhl1&y$= adsorption_atomic_energynP%? adsorption_surface_energyepn  version9 #M 8216d2cba17533f871731eea10c9c807   @5 *Q  hecc  vasp   e>T.$|%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