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 fd00d3ae20656a4555dc99ac0c5c1312@7~ [@9 Rhecc////////////////////////////////////////////////////// w?w? B'@w?]@|'@w?3}ƅC@|'@]@w?|'@UwE@UwE@''@UwE@:;%O@''@3}ƅC@w?|'@:;%O@UwE@''@:;%O@:;%O@''@iQ?vۅf@P1#@׆q&d?HȰw@1#@iQ?iQ?P1#@vۅf@vۅf@P1#@',r@HȰw@1#@vۅf@iQ?P1#@HȰw@',r@1#@HȰw@HȰw@݆#@HȰw@׆q&d?1#@w?w?&jjٺ@w?X9v@[Ӽ@w?8ܘP@[Ӽ@X9v@w?[Ӽ@m@m@}i@m@cE aX@}i@8ܘP@w?[Ӽ@cE aX@m@}i@cE aX@cE aX@}i@(~k!@Fžvx@{p@"Ɩ!@HȰw@Aȓk@(~k!@(~k!@{p@Fžvx@Fžvx@{p@Pn@HȰw@Aȓk@Fžvx@(~k!@{p@HȰw@Pn@Aȓk@HȰw@HȰw@_vo@HȰw@"Ɩ!@Aȓk@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?w?5+@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{}a0Q0a_Q?nSM{ԗm?nSM?{ԗm?nSM{ԗm?VL0VL01|z?VL0VL0?1|z?nSM?{ԗm?VL0?VL01|z?VL0?VL0?1|z?sb?sb:YXhk~E}r9Zsb?sb?:YXhsbsb:YXhk~E}r?9Zsbsb?:YXhk~E}r?9Z"jGYk~E}r9ZAȗp? C*q]v$j? C*q]?v$j? C*q]v$j? I'b? I'b?.r? I'b? I'b.r? C*q]?v$j? I'b I'b?.r? I'b I'b.r?$xCE$xCE?խn?}zlˀdb`$xCE$xCEխn?$xCE?$xCE?խn?}zlˀd?b`$xCE?$xCEխn?}zlˀd?b`-;F?}zlˀdb`Y8m&P"mnlvη&P"m?nlvη&P"mnlvη}V}Va1ソ}V}V?a1ソ&P"m?nlvη}V?}Va1ソ}V?}V?a1ソ[r[r? ^?͑_cbg ?[r[r ^?[r?[r? ^?͑_c?bg ?[r?[r ^?͑_c?bg ?#KX޵?͑_cbg ? cuGSHPu?GSHPu?bjaG?>?{"str_E": -142.84971, "slab_E": -138.95552, "atom_E": -0.42381475, "ads_E": -3.4703752499999805, "distance": 2.07411, "Dipole_val": 3.14015, "plane_index": 100, "ads_site": "0t"}{}7?zJGl?uPHSG@-+Jl@ᖇ7 #M fd00d3ae20656a4555dc99ac0c5c1312   systems   /6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site0t rr# plane_indexd! Dipole_val@ Ft distance@s ads_E T\, atom_E slab_Ea^Ց str_Ea0  version9 #M fd00d3ae20656a4555dc99ac0c5c1312   @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