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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems B(MT<C ?#-# @K;#@u@>$@M @K;#@W/'/"@#-# @ 1?[;@ 1?,&6 @\U]<@ 1?gj+@\U]<@WI@ N]9@@1* @e19@@HPs@e19@҇.H@ N]9@ϽG@1* @e19@ϽG@HPs@e19@ׁsF?,eX?u-@?u@Wc#/@ׁsF?=If-"@u-@D @,eX?u-@8* @u@Wc#/@D @=If-"@u-@K;#@9]? %,@K;#@u@Ù_-@K;#@CVz."@ %,@ 1?eF ^ @ @ 1? @ @ 1?D4@s,&6@֋h @(A&@s,&6@%@(A&@D )@cՐ@PH@֋h @(A&@PH@%@(A&@*Ral!H@cՐ@ rh?G|?OIҵ @ rh?u@OIҵ @ rh?( ."@OIҵ @ٱ׵ @G|?OIҵ @ٱ׵ @u@OIҵ @ٱ׵ @( ."@OIҵ @K;#@G|?OIҵ @K;#@u@OIҵ @K;#@( ."@OIҵ @ 1?G| @ 1? 1?M@ 1? 1? 1?E@G| @ 1?E@M@ 1?E@ 1?gH@G| @ 1?gH@M@ 1?gH@ 1? rh?G|?ek}? rh?u@ek}? rh?( ."@ek}?ٱ׵ @G|?ek}?ٱ׵ @u@ek}?ٱ׵ @( ."@ek}?K;#@G|?ek}?K;#@u@ek}?K;#@( ."@ek}? 1? )@1@C%@\n0Ե9@[{"name": "FixAtoms", "kwargs": {"indices": [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{}onWGo"#9% &B^?N ^E?9% &B^N ^E?45{9)9'pvW?6lgu?9)9'pvW6lgu?fHU?pDkL?9)9'p?vW?6lgu?9)9'p?vW6lgu?fHUpDkL?b)rׁsFt?Ƣdpd?4 ;X?i:M?b)rׁsFtƢdpd?b)r?ׁsFt?Ƣdpd?4 ;Xi:M?b)r?ׁsFtƢdpd? 9n?@Fx?AFc? 9n@Fx? !lMqJst%mMqJ?st%mN ^U-X6Y]]K=k?$xC56Y]]K=k$xC5N ^U?-X6Y]?]K=k?$xC56Y]?]K=k$xC5>+NV6w\&2#R LukՔdM>+NV6w\&?2#R>+NV?6w\&2#R Luk?ՔdM>+NV?6w\&?2#R=`2Cp?mf?v5yjn?=`2Cpmf?uʣaQQ@mhuʣaQQ?@mhkgE|'fHV\``E|'fHV\?``,;cGR{QE|'fH?V\``E|'fH?V\?``,;c?GR{Q~tgyN?8*5{U?Ttf.pyI?噗~tgyN?8*5{UTt~tgyN8*5{U?Ttf.pyI噗~tgyN8*5{UTt[X7Y?q:VS"[X7Yq:VSTqs*> ؿTqs* ؿXؿyCn-C6*1ؿyCn-C6>*1ؿH}- BؿyCn?-C6*1ؿyCn?-C6>*1ؿH}-? BؿמY29̗'?bod?FSwe7VL?מY29̗'bod?מY2?9̗'?bod?FSwe7?VL?מY2?9̗'bod? W(?UC?+2: ? W(UC?!k~?r<i?y2?Ua?DT{"str_E": -252.13847, "slab_E": -252.09409, "atom_E": -0.0125517, "ads_E": -0.03182830000001807, "distance": 3.44074, "Dipole_val": -0.0291176, "plane_index": 110, "ads_site": "0t"}{}I?~k!?i