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 a(MT< b@-ʌ@@&@Qi>b@W @@&@Qy@nQfL2'@ۧ1@L~@$0K$@{ʄ@M@D Y$@ۧ1@ΪV$@$0K$@*t^c@M(D@@#g$@*t^c@M@uV$@*t^c@2%$@#g$@O;5Y# @L~@$0K$@m4 @M@D Y$@O;5Y# @ΪV$@$0K$@(rw? x@F!@(rw?y): @F!@(rw?7!@J +V @TgА@$K!@J +V @ϽK @$K!@ɰ72O @c&X!@gDioe@TgА@$K!@gDioe@ϽK @$K!@($i@c&X!@^2@b('@K!q@Vc@M@B 3m@^2@5l$@K!q@*t^c@xN@ @*t^c@M@ 1@*t^c@q$@ @hUM @b('@K!q@Ve @M@B 3m@hUM @5l$@K!q@(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?(rw?HGŧ*@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{}gg$gi1ZGUCK|%R?1ZGUC?K|%R?Zg|_\r?yxρ9Sr/0+TwِfP?yxρ9Sr/0+T?wِfP?=3?-X?yxρ9?Sr/0+TwِfP?yxρ9?Sr/0+T?wِfP?=3-X?1GH'=?Ly HS?vꭁ2?h㈵T?1GH'=Ly HS?ZrL_?r#Df3O ZrL_r#Df1G?H'=?Ly HS?vꭁ2h㈵T?1G?H'=Ly HS?k$ %y]k$ %?y]}HF8*5{%3ۃ@?eO7p8*5{%3ۃ@eO7pǺ&?^q8*5{%?3ۃ@?eO7p8*5{%?3ۃ@eO7pǺ&^qGJ?8FGI?̔ꫫXVDׅ?GJ?8FGI??̔k*.>?cM*Z*6u![?k*.>cM*ZGJ8FGI?̔ꫫX?VDׅ?GJ8FGI??̔Z_&`;ŪAۍZ_&`?;ŪAۍ*8w?~?ZMv?8w?~ZMv?gBb?n3x?8w~?ZMv?8w~ZMv?gBbn3x?;P)7qrCQ7k*G?;P)uRzXYUDKKƁuRzX?YU;P)7qrCQ?7k*G?;P)\7e?BϿ\7eBϿ[A+п;%΁I*SAЁ?RϿ;%΁I*SAЁRϿ&"dTSп;%΁?I*SAЁ?RϿ;%΁?I*SAЁRϿ&"dT?Sп3FYgej2?$9"?_Q;?i?3FYgej2$9"?q:V.5#?"^?q:V?.5#?3FY?gej2?$9"?_Q;i?3FY?gej2$9"?)l\r>v?fo?"`'U?? n~{"str_E": -187.2423, "slab_E": -183.62805, "atom_E": -3.123956, "ads_E": -0.49029399999999823, "distance": 1.72944, "Dipole_val": 2.59646, "plane_index": 110, "ads_site": "0t"}{}I?l)?v>r\@ -@dtS