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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  ]&MlLLl; e566e834e866595322ab17ef9892f438@5STPw@8yȣhyangxbOOOOOOOO7A`P?eS@$@@j@o!?$@@ȓ$@lV}6?$@@ؙB@$@e`TR'@m@$@?t)*.?$@>٬|@,`w@$@*@ZӼ@$@ُae?Qi>b @$@HP, @xZy@$@Qy@ >@@$@sr@NE*-t @$@i- @@6Y;!@4@vasp{}E>FbE=S?؜gBs?=S؜gBs? ?8:vjdrjgh ?8:v?jdrjgh%S;f?Ah:;I?%S;fAh:;I?+H3faq6m?+H3f?aq6m?kC8SClpb?kC8S?Clpb?yUgn[yUgn?[[6|( B?{"E": 0.2936269641666665, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}{} ?>@f?B (@y)xe@`JKM #M e566e834e866595322ab17ef9892f438   systems  O    Si_rate  Au_rate E   Si_rate?UUUUUU Au_rate?UUUUUU  E?tE  version9 #M e566e834e866595322ab17ef9892f438   @5STPw   yangxb  vasp O   Si_rate Au_rate E   Si_rate Au_rate E