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_indexsystemsCREATE INDEX username_index ON systems(username)H #aindexctime_indexsystemsCREATE 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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-A indexsqlite_autoindex_systems_1systems 2( MD\ {\l o 33e76b44fbbb19b265a4458a691630a6@7ł&@@8xhecc 6 r@"m(@"u?y?^cު$@"u? 3h@^cު$@T[?OIҵ@Ϡ$@ 1@CB?Ϡ$@ 1@b@Ϡ$@ 1@OIҵ@S"$@?@ #M 33e76b44fbbb19b265a4458a691630a6 systems 6 vi\OB5( no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10 no_equ_9 no_equ_8 no_equ_7 no_equ_6 no_equ_5 no_equ_4 no_equ_3 no_equ_2 no_equ_1 ads_site# plane_index ! Dipole_val distance ads_E atom_E slab_E str_E n,i( a W Au no_equ_16ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058Au no_equ_15ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066@s no_equ_14ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084Au no_equ_13ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126@ s no_equ_12ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165Au no_equ_11ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244Au no_equ_10ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582@ u no_equ_9ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744@ u no_equ_8ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940?s no_equ_7ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290@u no_equ_6ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776@u no_equ_5ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040=o no_equ_4ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141@u no_equ_3ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949@u no_equ_2ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567?s no_equ_1ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ads_sitef r r # plane_indexd! Dipole_val` distance?+ ads_EƎE atom_E ' slab_Egϕ str_Eh#^J82 version9 #M 33e76b44fbbb19b265a4458a691630a6 @7ł&@ hecc vasp wj]PC6) no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10no_equ_9no_equ_8no_equ_7no_equ_6no_equ_5 no_equ_4no_equ_3no_equ_2 no_equ_1 ads_site#plane_index!Dipole_valdistance ads_E atom_E slab_E str_E qcUG9+ no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10no_equ_9 no_equ_8 no_equ_7no_equ_6no_equ_5no_equ_4no_equ_3no_equ_2no_equ_1 ads_site #plane_index!Dipole_valdistance ads_E atom_E slab_E str_E y?^cު$@?@ 3h@^cު$@c@OIҵ@Ϡ$@HcC@>'I@n2d"!@x@6 r@Ș!@HcC@N^@n2d"!@@>'I@n2d"!@A+0du@6 r@Ș!@@N^@n2d"!@ ܝ.@Ș!@ 6 r@zS c!@ )Wx@Ș!@9]?n?'K@9]?9z@'K@?OIҵ@Gz@ 1@LH?Gz@ 1@ dF@Gz@ 1@OIҵ@rt@k&l@n?'K@k&l@9z@'K@ՐDz@OIҵ@Gz@PN@W8?cZB>@ǘ@6 r@9@PN@7ُ@cZB>@ۑ@W8?cZB>@VF@6 r@9@ۑ@7ُ@cZB>@ yCn;?9@ 6 r@mn@ 8 @9@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\?1@ 1@ 4}=@[{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}]vasp{}h#bKh#= SKwi:Mi:M?8fٓli:Mi:M8fٓl*g\8@? O!WYp *g\8@O!WYp *g\8@?O!WYp ¾DA?i:M?i:M?8fٓli:M?i:M8fٓl*g\8@ O!WYptX?tX?̔[Ob? ȗPatX?tX??̔tXtX?̔[Ob ȗPatXtX??̔ [ObȗPa ({t [Ob?ȗPar&"@r&"@?)hmr&"@r&"@)hmI" :̗`} I"?:̗`} I":̗`} ,amr&"@?r&"@?)hmr&"@?r&"@)hmI"? :̗`}: vQ: vQ?Bl`/"U %