SQLite format 3@ .° ø° ?É í ^ é B • 8â˜Eì¢d°\%/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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  h h‰'M † † l 3e56b6aae8f8eb6572bb928a030f45a3@5STP]öö@8ûvêìíØyangxbOOOOOOOOOO¼³vÛ…æ@q¬‹Ûh @$@–x@Ù”ë@€$@]›ëó¿ÿç0_^@@$@;ü5Y£@[”Ù “l@$@Ëóà@€$@¯BÊOª½ÀùÚ3KÔ@$@$@7àóÃ!ÀÚ‘aõ@$@f½ʉvõ?-!ôl–@$@/Ý$!@€$@÷äa¡Öt@‰”M¹b@äNé`ýÿ#@ÙwEð¿5@qZ𢯠þ?äNé`ýÿ#@ŽÙëÝ@–¨©ek@äNé`ýÿ#@×L¾ÙæÆø? m9—â @±Ÿ$@Û§ã1•×¿ç½ÞÝ@±Ÿ$@ožê›áò¿Õ h"l˜@±Ÿ$@™çƒ&î$@€™çƒ&îÀ¼êµdK "@4@vasp{}ÀM×JìwâæÀMßÑIž¯ƒÉÇî%¿„d#¿î[­—ã%?€ÉÇî%¿„d#?÷”œ{ho¿ì†m‹2{¿˜‰"¤ng?€÷”œ{ho¿ì†m‹2{?CÅ8 A¿’ËH¿}M?CÅ8 A¿’ËH¿}M¿CÅ8 Q?€ù×òÊõ¶i¿8’Làv¿f‡ø‡-=z?«ZÒQf?Ò6þDeÃj¿ÎÆJ̳’v?€Ò6þDeÃj¿ÎÆJ̳’v¿€ù×òÊõ¶i¿8’Làv?f‡ø‡-=z?«ZÒQf¿€É o“ÍL¿É o“ÍL¿D3äͪA?€€€{"E": 0.30274725062499996, "Au_rate": 0.625, "Si_rate": 0.375}{}?gÜY²?AªÍä3D@£´ÑÞné@ ´Yô (x ÜÜ#M 3e56b6aae8f8eb6572bb928a030f45a3 ôô  systems ðøð O   âúîâ  Si_rate  Au_rate E  ÇñÜÇ Si_rate?Ø Au_rate?ä  E?Ó`6ÙÀ óó version9 ÜÜ#M 3e56b6aae8f8eb6572bb928a030f45a3 ôô  @5STP]öö öö  yangxb øø vasp õûõO  ãïûã Si_rate Au_rate E  ãïûã Si_rate Au_rate E