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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems p(MD\{\lk 3e3f855a474d1bec2a9afd044206e2a6@7~ ,@9&<*hecc//////////////////////////////////////////////////////w?cE ax?"D'@w?D!T@9'@w?~7@"D'@Pn@7ُ?[%Xά'@@D!T@B5v'@Pn@P6 O@[%Xά'@$SL@7ُ?[%Xά'@|a2U@D!T@B5v'@$SL@P6 O@[%Xά'@VC~?m2d@!'>#@VC~?oB@!'>#@ƊL?#~j#@>h@m2d@!'>#@>h@oB@!'>#@2U0*S@#~j#@HȰw@i>"f@3}ƅ#@HȰw@ >@3}ƅ#@HȰw@#@w?Ǻp?QI@w?D!T@-l@w?eNW@QI@HcC@e6$#g?G|@B @D!T@|y@HcC@?Y@G|@G8-xW@e6$#g?G|@ S@D!T@|y@G8-xW@?Y@G|@ۗ!@ %t@V`o@ۗ!@)?x@V`o@}b!@s@;6~@ %t@V`o@;6~@)?x@V`o@ 'x@s@HȰw@4i@a|y@HȰw@Բ~@a|y@HȰw@{w@w?w?R!5 @w?D!T@R!5 @w?LTo lU@R!5 @D!T@w?R!5 @D!T@D!T@R!5 @D!T@LTo lU@R!5 @LTo lU@w?R!5 @LTo lU@D!T@R!5 @LTo lU@LTo lU@R!5 @HȰw@^o%;?HȰw@^o%;?^o%;?HȰw@HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@^o%;?w?"7 <*@g!@g!@7@@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}aOta܌PW\l?\phޏ/HPW\l\ph%IDW)dqaaR\U]a8*5{E%IDW)dqa?a%IDW?)dqaaR\U]a?8*5{E%IDW?)dqa?a1zn+Q268a:pΈr1zn+Q268a?:pΈr+~7U?獓¼i1zn+Q?268a:pΈr1zn+Q?268a?:pΈr+~7U獓¼iYo+6[Y?o+6[yxeu [_?.s,&6o4LmN? [_.s,&6o FCg,{2yxρY?,Ip`?ii? FCg,{2?yxρY? FC?g,{2yxρY?,Ip`ii? FC?g,{2?yxρY?nSM?yxρY?-smnSM?yxρY-smXj0(@4nSMyxρY?-smnSMyxρY-smXj0?(@4iܛ0q?=ԶaDiܛ0q=ԶaDiz ,)?D]L3{h+m ,)D]L3og_y?n4r ÷bGP?Z&og_y?n4r? ÷og_yn4r ÷bGPZ&og_yn4r? ÷tp?A*Ŏơ?$\#?tp?A*Ŏơ$\#?RT:#?tpA*Ŏơ?$\#?tpA*Ŏơ$\#?RT:?#?.9v?`ӹ?.9v`ӹ?qGRü?E>'IwY;by?ծ}jwt?hxP??, K\ђ{"str_E": -143.71171, "slab_E": -138.95552, "atom_E": -3.123956, "ads_E": -1.6322340000000035, "distance": 1.2192, "Dipole_val": 1.64944, "plane_index": 100, "ads_site": "1b"}{}7?zߵi?yb;Y@-+Jl@ #M 3e3f855a474d1bec2a9afd044206e2a6   systems   /6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site1b rr# plane_indexd! Dipole_val?d2m distance? ads_Ef^ atom_Eܤ$ slab_Ea^Ց str_EaT Ǐ  version9 #M 3e3f855a474d1bec2a9afd044206e2a6   @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