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 D(MT<C@E@J + @Ji@E@z@Ji@E@+5{@c('UH@iW!' @KqU@c('UH@,)@KqU@M֨G@b->@ rh?G|?OIҵ @ rh?u@OIҵ @ rh?( ."@OIҵ @ٱ׵ @G|?OIҵ @ٱ׵ @u@OIҵ @ٱ׵ @( ."@OIҵ @K;#@G|?OIҵ @K;#@u@OIҵ @K;#@( ."@OIҵ @ 1?G| @ 1? 1?M@ 1? 1? 1?E@G| @ 1?E@M@ 1?E@ 1?gH@G| @ 1?gH@M@ 1?gH@ 1? rh?G|?ek}? rh?u@ek}? rh?( ."@ek}?ٱ׵ @G|?ek}?ٱ׵ @u@ek}?ٱ׵ @( ."@ek}?K;#@G|?ek}?K;#@u@ek}?K;#@( ."@ek}? rh? K<*@1@C%@\n0Ե9@[{"name": "FixAtoms", "kwargs": {"indices": [45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71]}}]vasp{}oUhTosF'eRC?D-ͭPp?'eRC?D-ͭP?p?_Le?8ߡ(p?0ACWq4GV~9?0ACW?q4GV~9?X+?'eRCD-ͭPp?'eRCD-ͭP?p?_Le8ߡ(p?n/iq?1zn+170p?n/iq1zn+1|8G]S%RWvEp?]E~?\4 _|8G]S%RW?vEp?|8G]?S%RWvEp?]E~\4 _|8G]?S%RW?vEp?Q+R?vrc{?p>?pOʤ6[?{?p>?p?Oʤ6[?SKwMbPvk )?MbP?vk )?Q+Rvrc{p>?pOʤ6[?{p>?p?Oʤ6[?3ۃ0MPD?zUgc?3ۃ0?MPD? E8nf 2&WVbk?g 2*\? E8nf? 2&W E?8nf 2&WVbkg 2*\? E?8nf? 2&WOs"c?!c?_ZtOs"c?!c_Zt0!ZGĔHwMۿҤD?O=rMۿҤDO=r؜gBcOs"c!c?_ZtOs"c!c_Zt0!Z?GĔHwGjދ/ڣ3KԤGj?ދ/ڣܚt["7?-sMG,ģ9̗G>ܚt["7?-sM?G,ģܚt["7-sMG,ģ9̗G?>ܚt["7-sM?G,ģ FiUMu>.rOWw׿ FiUMu.rOWw׿Os"OIV׿a2U0*?>[{׿a2U0*>[{׿u7Ou׿ F?iUMu>.rOWw׿ F?iUMu.rOWw׿Os"?OIV׿-C6>ZxZ~?@m?-C6ZxZ~?R\U]1?1]a?M3{?#Rrd?! v{"str_E": -252.13547, "slab_E": -252.09409, "atom_E": 0.0017485894, "ads_E": -0.04312858940000375, "distance": 3.76183, "Dipole_val": -0.0155757, "plane_index": 110, "ads_site": "3b"}{}I?+X?^3&@5-X*@PA