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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems `'M<W[@^) @!vy@([Z?ʦ @vk@Pn @2b"@ݵ|S@ŏ1w@([Z?&S@&@4i@8*5{?ŏ1w@:zަ@^)?bհ@^)?jHc!@LH@^)?j>"@7d@^)?@z!@^)?-l@9ߡ(@^)?S!u"@B[Υ@4@([Z?_L @ŏ1w@';@eX?K @ݵ|S@^) @ŏ1w@([Z?V/' @&@4i@IOc @ŏ1w@:zަ@_@bհ@_@[!@P@_@v@>W[@_@@z!@_@.9@].;@_@!@Ji@^) @4@([Z?QI @ŏ1w@';@Pn @K @ݵ|S@_@ŏ1w@mscz2@o@q?w$@,. 6l5@vasp{}g6g6(]?Muѿ~oӟHa"[AӒ?}"O?ek}?>z}֬<.ED1?eI)?MLbGx?Ku/3l%j?9l奿NA~6r?N@C#tub7P|z?6y?3?O&B?Pҿͮ{+b?qdP?QnHy'Lh乿(]Muѿ~oӟHa?"[AӒ?}"O?ek}>z}֬e-?*?2g@Y?|#gqN`:?wiai࿿VΆϞ$x?F$aNIQ,CƣT?W\TK?3?O?&B?Pҿͮ{+bqdP?QnH?y'Lh乿jv/=;k]տ~oӟHa"[AӒ}"O?]~p>B`"۵l?NA~6r?N@C?#tub7P|z6y?<.ED1eI)?MLbGxKu/3l%j򔭿93?O&BPҿ1>~?t?QnHy'Lh?乿jv/?=;k]տ~oӟHa?"[AӒ}"O?]~p>?B`"۵VΆ?Ϟ$x?F$aN?IQ,CƣTW\TK?e-*?2g@Y|#gqN`:wiai࿿3?O?&BPҿ1>~t?QnH?y'Lh?乿x&4I,)CWXV?l͊?LDYY|??2~[C{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -184.995, "absorption_energy": -19.161, "layer_distance": 1.581, "delta_charge_bader": 1.007, "dipole_bader": 7.644, "delta_charge_hirf": 0.993, "dipole_hirf": 7.54, "index": "(110)", "absorped_atom": "O", "absorped_pos": "b1"}{}1?ߑ}AQ?VXWC@@il #M d2627b925e39b81c398721194b8800ec   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_posb1' absorped_atomO index(110) jN. # dipole_hirf@(\)/ delta_charge_hirf?Ƨ-% dipole_bader@tj~1 delta_charge_bader?1&) layer_distance?KƧ/ absorption_energy3)7KƧ(E absorption_structural_energyg =p$= adsorption_atomic_energynP%? adsorption_surface_energydl  version9 #M d2627b925e39b81c398721194b8800ec   @5 *MW  hecc  vasp   e>T.$|%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