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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems x(MD\{\l{ 595d4c13b40505314ed4d66471c18ede@7ł?@8y6hecc >"D?PN?@j'$@>"D?{fI@@j'$@_$\?OIҵ@q$@ 1@jt?q$@ 1@fa@q$@ 1@OIҵ@B5v$@*5{@PN?@j'$@*5{@{ #M 595d4c13b40505314ed4d66471c18ede   systems   6 vi\OB5(   no_equ_15  no_equ_14  no_equ_13  no_equ_12  no_equ_11  no_equ_10  no_equ_9  no_equ_8  no_equ_7  no_equ_6  no_equ_5  no_equ_4  no_equ_3  no_equ_2  no_equ_1  ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  l*d" [  N Cy no_equ_15ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666Bw no_equ_14ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769Au no_equ_13ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801A u no_equ_12ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889A u no_equ_11ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125A u no_equ_10ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287@ u no_equ_9ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006@ u no_equ_8ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537@u no_equ_7ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138@u no_equ_6ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859@u no_equ_5ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212@u no_equ_4ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335@u no_equ_3ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090@u no_equ_2ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637Aw no_equ_1ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084  ads_sitef rr# plane_indexd! Dipole_val?\90 distance?ͩ>! ads_E 76 atom_E slab_Egϕ str_Ehh'(  version9 #M 595d4c13b40505314ed4d66471c18ede   @7ł?  hecc  vasp     wj]PC6) no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10 no_equ_9 no_equ_8 no_equ_7 no_equ_6 no_equ_5 no_equ_4 no_equ_3 no_equ_2 no_equ_1 ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E +qcUG9+ no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10 no_equ_9 no_equ_8 no_equ_7 no_equ_6 no_equ_5 no_equ_4 no_equ_3 no_equ_2 no_equ_1  ads_site #plane_index!Dipole_val distance ads_E atom_E slab_E str_EfI@@j'$@Pk@OIҵ@q$@g@ / ?Ȱ72!@\mr@6 r@u-!@g@ r@Ȱ72!@CO}@ / ?Ȱ72!@ B@6 r@u-!@CO}@ r@Ȱ72!@;)t?u-!@6 r@gs!@5Ry;@u-!@3ı.n?ʾ+? $(~@3ı.n?Pc*@ $(~@Jh?OIҵ@X@ 1@=D;?X@ 1@q&@X@ 1@OIҵ@/>:u%@HV@ʾ+? $(~@HV@Pc*@ $(~@bg ׸@OIҵ@X@ZB>@.!@n4@0@6 r@k&߬@ZB>@KԲ@n4@=@.!@n4@xZ@6 r@k&߬@=@KԲ@n4@KqU@k&߬@6 r@s@d`T@k&߬@ek}?ek}?_@ek}? 1@_@ek}?OIҵ@_@ 1@ek}?_@ 1@ 1@_@ 1@OIҵ@_@OIҵ@ek}?_@OIҵ@ 1@_@OIҵ@OIҵ@_@6 r@\wT\?6 r@6 r@\wT\?6 r@oG8-x@\wT\?oG8-x@\wT\?oG8-x@6 r@\wT\?oG8-x@oG8-x@\wT\?\wT\?6 r@\wT\?oG8-x@\wT\?6 r@Tr3@'@1@1@4}=@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}hh)Jhi.l^1ZGUC?1ZGUC6pt1ZGUC?1ZGUC?6pt`x%s}OWw`x%s}O?Ww`x%s}OWww1ZGUC1ZGUC6pt1ZGUC1ZGUC?6pt`x%s}O?WwQ\Q\?lTO_MVnʆ5eQ\Q\lTO_Q\?Q\?lTO_MV?nʆ5eQ\?Q\lTO_MV?nʆ5et>6lge?6lge?g,{r6lge?6lgeg,{rWN?3fCQ\Q\?Ǻ6VDׅOpzgQ\Q\Ǻ6Q\?Q\?Ǻ6VDׅO?pzgQ\?Q\Ǻ6VDׅO?pzg˵hvVDׅOpzg5_% d5_% d?l\Ϝſ5_% d5_% dl\Ϝſ0H?h㈵Ŀ0Hh㈵Ŀ0H?h㈵Ŀ070Qȿ5_% d?5_% d?l\Ϝſ5_% d?5_% dl\Ϝſ0Hh㈵Ŀk?kdT8?#&?u<?k?k?dT8?kkdT8?#&u<?kk?dT8?#&u<?Ũk}?#&?u<? ~K?_#E?_#E?\Xjf?Y{"str_E": -195.27956, "slab_E": -190.59214, "atom_E": -0.42381475, "ads_E": -4.263605250000003, "distance": 1.23771, "Dipole_val": 0.677168, "plane_index": 100, "ads_site": "f", "no_equ_1": "ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084", "no_equ_2": "ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637", "no_equ_3": "ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090", "no_equ_4": "ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335", "no_equ_5": "ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212", "no_equ_6": "ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859", "no_equ_7": "ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138", "no_equ_8": "ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537", "no_equ_9": "ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006", "no_equ_10": "ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287", "no_equ_11": "ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125", "no_equ_12": "ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889", "no_equ_13": "ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801", "no_equ_14": "ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769", "no_equ_15": "ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666"}{}7?wm"*L?E#_@ ^@!#