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 s(MD\{\lq 2783b66bd569da12fd6c317e4b8852e5@7~ @9&>G 2hecc////////////////////////////////////////////////////// 9]?9]? ['@Py?D!T@NP'@9]?C,@ ['@D!T@Py?NP'@D!T@D!T@| '@D!T@0' U@NP'@C,@9]? ['@0' U@D!T@NP'@C,@C,@ ['@j+W@*D/#@[wT@*D/#@m#@Gg@Gg@ZB>#@Gg@=U@ZB>#@j+W@*D/#@=U@Gg@ZB>#@=U@=U@ZB>#@[wT@*D/#@M-[닄?M-[닄?NE*-@+0dug?D!T@ 7@M-[닄?V-R@NE*-@D!T@+0dug? 7@D!T@D!T@iW!'@D!T@a+eY@ 7@V-R@M-[닄?NE*-@a+eY@D!T@ 7@V-R@V-R@NE*-@\='o|@Pq@0*u@Pq@JiWv@od@od@J8y@od@4 r@J8y@\='o|@Pq@4 r@od@J8y@4 r@4 r@J8y@0*u@Pq@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%;?6X+*@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{}amaquʣaQQ?uʣaQQ?. Lt_F&5@uʣaQQ?uʣaQQ. Lt_F&5@5Y?_F?&5@uʣaQQuʣaQQ?. Lt_F?&5@uʣaQQuʣaQQ. Lt]/MQgv]/MQ?gvmHSȕzV?HSȕzV?JΉ=EHSȕzV?HSȕzVJΉ=E]/MQgvHSȕzVHSȕzV?JΉ=EHSȕzVHSȕzVJΉ=E]/MQ?gv&z,?&z,?h:;l5l/Bx!]&z,?&z,h:;l5l/Bx!]}<ݭ,5l/B?x!]&z,&z,?h:;l5l/B?x!]&z,&z,h:;l"uQ?]E~E"uQ]E~E7h>n;f?;f?u;ʃT;f?;fu;ʃT"uQ?]E~E;f;f?u;ʃT;f;fu;ʃT"uQ]E~EP?P?@x=\ W`?sczP?P@x=\ W`?scz2vKp껿 W`sczPP?@x=\ W`sczPP@x=\qn?`o`r?qn`o`r?  R?/^|?/^|?1闈?/^|?/^|1闈?qn?`o`r?/^|/^|?1闈?/^|/^|1闈?qn`o`r?m77MM?J w?J w?|Ŧ;Q?>uMUi{"str_E": -143.43145, "slab_E": -138.95552, "atom_E": -0.42381475, "ads_E": -4.052115250000005, "distance": 1.22849, "Dipole_val": 0.967813, "plane_index": 100, "ads_site": "2f"}{}7?Y5?w ŖJ@-+Jl@ᖇ7 #M 2783b66bd569da12fd6c317e4b8852e5   systems   /6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site2f rr# plane_indexd! Dipole_val?R distance?!Wh ads_E5]9} atom_E slab_Ea^Ց str_Eap:  version9 #M 2783b66bd569da12fd6c317e4b8852e5   @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