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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems o(MD\{\li b006fae167afc81e0879b30c4e89da43@7~TH@8z^ @d'@wE@@9 {'@镲 "@2r@W&R?'@t@V @^ @^@eS.@u7@c AJ?!A @H@@@_@OIҵ@Ԛ@G.@Ե@Z*oG8-?,g@`5!@@@_@?!@^@eS.@ +@H@@;1Ő@QN@7A`@OIҵ@죳@nض@Ե@sK!q@k @@QN@7A`@!@?@#EdX@խ?H@@v$@f1@mn@V@?@#EdX@6 r@9b->?镲 @ 1@ @镲 @S!u@UD@镲 @oG8-x@9b->?镲 @Ե@ @镲 @ 1@UD@镲 @ 1@9b->?镲 @:H!@ @镲 @v$@UD@镲 @6 r?9b->?{,}?6 r@9b->@{,}? 1@g~5@{,}? 1@9b->?{,}?S!u@9b->@{,}?OIҵ@g~5@{,}?Ե@9b->?{,}? 1@9b->@{,}?:H!@g~5@{,}?oG8-x@@)@1@ 1@9y @ ;@@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}h Pxh$JsnYk(g? XrDC=e?]N Ip?R poJybTqs*>zU_ZtC=e]N Ip?R p}rT?iSuljLx$^~Js?nYk(g? XrD$ xeIB}rTiSuljLx$^~bc^GL? vöEi?CYZj?*T73mrS?nHJzH3ۃ0W:oW\i?àLH?֩=#ZْUQmYg|_|nHJzH?3ۃ0W:oW\iàLH?֩=#ZCYZj*T73mrS?{Gzdr}xyxρ9?$EdXi? 'ixf.pyi?$xCzàL(?`$_?#=ryxρ9$EdXi? 'ixx Rςp?>UWdJʽp2`=joӟHi[a/}x Rςp>UWdJʽpàL(`$_?#=r};l"37 LnT?=E~[T8T]fLg?H[`?֪]j?Y,EuBt\?M(D!t?T8T]?fLg?H[`?>V`!>@P?!JN};l"37? LnT?=E~[*wkհS>V`?!>@P?!JN$@a?=UWmUb? 0,-x?ӃRr 2&W?v_wPF ^/x?t? ?[~QBnHJzz?5磌 2&Wv_wPF ^/xt? ?[~QBWmUb 0,-x?ӃRr.h?c#w~9踊?XyV? m9⪲?cώAc&Q/?Z HO?| lmsp?9踊XyV? m9⪲?'Q|_>Y1\mN@?Fr?*t^c? ĭ(-Ӿ?'Q|?_>Y1\mN@?Z HO| lmsp?t&mq?V`v?tNk?oZ?_,Z\?S/>uMUi{"str_E": -197.69144, "slab_E": -192.84492, "atom_E": -0.349, "ads_E": -4.497519999999998, "distance": 0.833751, "Dipole_val": 0.322123, "plane_index": 111, "ads_site": "1b"}{}7?Ǽ?Zңo@ #@䖇+ #M b006fae167afc81e0879b30c4e89da43   systems   6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site1b rr# plane_indexo! Dipole_val?ԝɒ distance?; ads_Eult atom_EVt slab_Eh  str_Eh Fd  version9 #M b006fae167afc81e0879b30c4e89da43   @7~TH  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