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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems b(MT<  U @ -@A+0du&@Ll> U @d #M 48b00c3bcfd9d73451ad2abfb078ac75   systems   /H   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site1b rr# plane_indexn! Dipole_val@{~$ distance@٩T ads_E 15L atom_Eq2C slab_EfPH str_Egd/D*  version9 #M 48b00c3bcfd9d73451ad2abfb078ac75   @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_Eu礗 @A+0du&@̒ @y*'@J_{f@ ܺ@$&@J_{f@`TR' @$&@J_{f@ʡ&@D!T@?M@K8E$@D!T@M@wT$@D!T@}kϼ$@K8E$@O0@rw@̯P$@P1@M@0BX$@O0@$@̯P$@% @rw@̯P$@9d @M@0BX$@% @$@̯P$@4hb?VI@mC!@4hb?f @mC!@o?<.9^!@{fIZ @VI@mC!@{fIZ @f @mC!@,eXW @<.9^!@J_{f@1PN@ E!@J_{f@`Vϙ @ E!@J_{f@t{IC!@D!T@*|@䠄@D!T@M@X@D!T@ %$@䠄@ [@ܵ|@X@}˜.@M@B!@ [@9ֿ$@X@OjM# @ܵ|@X@X! @M@B!@OjM# @9ֿ$@X@(rw?@ʦ\@(rw?  @ʦ\@(rw?ʦ\@KqU @@ʦ\@KqU @  @ʦ\@KqU @ʦ\@J_{f@@ʦ\@J_{f@  @ʦ\@J_{f@ʦ\@D!T@Ji@ v@D!T@M@ v@D!T@u$@ v@*t^c@Ji@ v@*t^c@M@ v@*t^c@u$@ v@5l/" @Ji@ v@5l/" @M@ v@5l/" @u$@ v@(rw?@A}˜.K@(rw?  @A}˜.K@(rw?A}˜.K@KqU @@A}˜.K@KqU @  @A}˜.K@KqU @A}˜.K@J_{f@@A}˜.K@J_{f@  @A}˜.K@J_{f@A}˜.K@D!T@Ji@IF?D!T@M@IF?D!T@u$@IF?*t^c@Ji@IF?*t^c@M@IF?*t^c@u$@IF?5l/" @Ji@IF?5l/" @M@IF?5l/" @u$@IF?D!T@**+@g!@(@߉Y/"@@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71]}}]vasp{}gd5gd`5V?;PVP?"~ f ^)P?Z H/]J]2a>VP?"~ f? ^)P?>VP"~ f ^)P?Z H/?]J]2a>VP"~ f? ^)P?k$ %t_T30&V?k$ %t_T?30&V?+H3V?IӠh?k$ %?t_T30&V?k$ %?t_T?30&V?+H3VIӠh?4 ;?̔2?4 ;??̔2?({t?t><,z%6? F?^ PjdIӠh<,z^ PjdIӠh><,z%6 F?>?TG噿>TG噿t|8cCyCnK,!*C?yCnK?,lFT,;s?OS{FCRAEulFT,;sOS{FlFT?,;s?OS{FC?RAEulFT?,;sOS{F{\&k?Gv?=~п{\&k?Gv=~пuݑ?dȱ п{\&kGv?=~п{\&kGv=~пuݑdȱ п@_?| ѿ@_| ѿ{hпs4Bx?RT?$ӡn?s4BxRT?g|_\vyGsdw?jT?Mdч?9x&4I?g|_\vyGsdwjT?g|_\v?yGsdw?jT?Mdч9x&4I?g|_\v?yGsdwjT?]E~?dWHs?%̆k?.8T?3{"str_E": -187.14492, "slab_E": -183.62805, "atom_E": -0.24284194, "ads_E": -3.2740280600000116, "distance": 2.00033, "Dipole_val": 2.3103, "plane_index": 110, "ads_site": "1b"}{}I?y\Xg@A?sHWd@ -@y?