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 p(MD\{\lk b8d938be8069d67ded2013c3f001c6ee@7~ +@99/,hecc//////////////////////////////////////////////////////w?>\r)?ڧ'@w?D!T@Y/r'@w?\8@ڧ'@f@iUMu?'@x@@D!T@Sr3'@f@ V@'@ +Y@iUMu?'@U@D!T@Sr3'@ +Y@ V@'@3.\??ܵ|@P#@3.\?Ll> u@P#@P}:3?48#@Jt@?ܵ|@P#@Jt@Ll> u@P#@,&6W@48#@HȰw@Sg@m2#@HȰw@ @m2#@HȰw@~:3P#@w?c]F?gп@w?D!T@@w?vR~R@gп@WL@ُa?pn@\].@D!T@}t@WL@Z@pn@X9V@ُa?pn@dL@D!T@}t@X9V@Z@pn@.!@.n|@z):k@.!@u7Ou@z):k@!@sr@]m{@.n|@z):k@]m{@u7Ou@z):k@s{@sr@HȰw@W>n@<,t@HȰw@@0G{@<,t@HȰw@6Ts@w?w?R!5 @w?D!T@R!5 @w?LTo lU@R!5 @D!T@w?R!5 @D!T@D!T@R!5 @D!T@LTo lU@R!5 @LTo lU@w?R!5 @LTo lU@D!T@R!5 @LTo lU@LTo lU@R!5 @HȰw@^o%;?HȰw@^o%;?^o%;?HȰw@HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@^o%;?w?b)*@g!@g!@7@@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}aa)K'eRC8*5{%?ZӼm'eRC>8*5{%?3ۃmi*Y?9 Q?k]/M? %S;t3ۃmi*Y9 Q?k3ۃ?mi*Y?9 Q?k]/M %S;t3ۃ?mi*Y9 Q?kK?oӟHIK?oӟHIӹ@IӠhnKoӟHIKoӟHIӹ@?IӠhnIZW? EoIZW EotϺFˁ~a0enS]ԱJia0e?nS]uRzX?qU?o_qFn1`?{&J?uRzX?qUo_quRzXqU?o_qFn1`??{&J?uRzXqUo_q!Vab+,/?Ÿ:?!Vab+,/Ÿ:?d< H? 8@dq!Vab?+,/?Ÿ:?!Vab?+,/Ÿ:?d< H 8@dq1i4aO?1i?4aO?EƟlx?衶 ?=! 衶 =?O崧䜘#ӡӷ'>V??O崧䜘?#ӡӷO崧䜘#ӡӷ'>VO崧䜘?#ӡӷ6^?t?46?6^t?46?2Pl?>?2Pl>?QF\?2tr^F%x? t?PD÷Q?>#t{"str_E": -143.25032, "slab_E": -138.95552, "atom_E": -1.2476334, "ads_E": -3.047166599999981, "distance": 1.20285, "Dipole_val": 1.2353, "plane_index": 100, "ads_site": "1b"}{}7?~Ft?x%F^@-+Jl@* #M b8d938be8069d67ded2013c3f001c6ee   systems   /6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site1b rr# plane_indexd! Dipole_val? distance?>ߤ? ads_E` atom_ENp[I slab_Ea^Ց str_Ea  version9 #M b8d938be8069d67ded2013c3f001c6ee   @7~ +  hecc  vasp  /  ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E   ads_site #plane_index!Dipole_val distance ads_E atom_E slab_E str_E