SQLite format 3@ .° ø° ?É í ^ é B • 8â˜Eì¢d°\%/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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems ‰‰št(MƒD”\{”\l‚s 4477ec82cb370bf7dcebaf62a8f24c55@7Å~SW¤@91½UžQhecc6å ïr‘@™Gþ`À&@xEð¿•lõ?fI€šZ¶ó?|~!<º$@xEð¿•lõ?+j0 ÃG@|~!<º$@‹2d’‘ô? OäIÒµ@»DõÖÀ¦$@ º½¤1Ú@S\Uö]‘ô?»DõÖÀ¦$@ º½¤1Ú@µàE_AÚ@»DõÖÀ¦$@ º½¤1Ú@ OäIÒµ@Ë-­†¤$@¬¨Á4 @fI€šZ¶ó?|~!<º$@¬¨Á4 @+j0 ÃG@|~!<º$@gí¶ Íµ@ OäIÒµ@»DõÖÀ¦$@ʦ\á@¤ÇïmúÓ@œ¢#¹ü!@û–9]“@6å ïr‘@^h®ÓH!@ʦ\á@¹ˆïĬ—@œ¢#¹ü!@Ujö@‹@¤ÇïmúÓ@œ¢#¹ü!@î v¦@6å ïr‘@^h®ÓH!@Ujö@‹@¹ˆïĬ—@œ¢#¹ü!@(a¦í_Ù@^h®ÓH!@6å ïr‘@©MœÜ/!@Q OäI’@^h®ÓH!@ÑèbgŠô? ¦aøˆ˜ô?œmnLOø@ÑèbgŠô?Ø»?Þ«Ö@œmnLOø@0 ÃGÄ”ô? OäIÒµ@B•š=Ðê@ º½¤1Ú@®­,Žô?B•š=Ðê@ º½¤1Ú@ÏkìÕÛ@B•š=Ðê@ º½¤1Ú@ OäIÒµ@|~!Ü@Öÿ9Ì—·@ ¦aøˆ˜ô?œmnLOø@Öÿ9Ì—·@Ø»?Þ«Ö@œmnLOø@¾öÌ’µ@ OäIÒµ@B•š=Ðê@’"2¬â@§"Æ‚\?¨:äf¸¡@vöE™@6å ïr‘@}Ëœ.‹©@’"2¬â@æË °@¨:äf¸¡@Á¨¤N@“@§"Æ‚\?¨:äf¸¡@OXâe“@6å ïr‘@}Ëœ.‹©@Á¨¤N@“@æË °@¨:äf¸¡@óÈ <÷^?}Ëœ.‹©@6å ïr‘@%zÅr«@s…w¹ˆ@}Ëœ.‹©@¨©ek}‘ô?¨©ek}‘ô?š_Í‚¹@¨©ek}‘ô? º½¤1Ú@š_Í‚¹@¨©ek}‘ô? OäIÒµ@š_Í‚¹@ º½¤1Ú@¨©ek}‘ô?š_Í‚¹@ º½¤1Ú@ º½¤1Ú@š_Í‚¹@ º½¤1Ú@ OäIÒµ@š_Í‚¹@ OäIÒµ@¨©ek}‘ô?š_Í‚¹@ OäIÒµ@ º½¤1Ú@š_Í‚¹@ OäIÒµ@ OäIÒµ@š_Í‚¹@6å ïr‘@\wóT‡\ô?6å ïr‘@6å ïr‘@\wóT‡\ô?6å ïr‘@oG8-x‘@\wóT‡\ô?oG8-x‘@\wóT‡\ô?oG8-x‘@6å ïr‘@\wóT‡\ô?oG8-x‘@oG8-x‘@\wóT‡\ô?\wóT‡\ô?6å ïr‘@\wóT‡\ô?oG8-x‘@\wóT‡\ô?˜Ùç1Ú@˜Ùç1Ú@Þß4}=@[{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}]vasp{}Àh2»gÀh24H;Øô ß÷o^l¿Zg|_\ªr¿Zg|_\ªr?êAA)Z¹G?Zg|_\ªr¿Zg|_\ªr¿êAA)Z¹G?)ÍæqH¿ 7©0¶P?)ÍæqH? 7©0¶P?)ÍæqH¿ 7©0¶P?ÿæʼn¯vd?Zg|_\ªr?Zg|_\ªr?êAA)Z¹G?Zg|_\ªr?Zg|_\ªr¿êAA)Z¹G?)ÍæqH?€ 7©0¶P?QfƒL2rF?QfƒL2rF¿?«Ì”ÖßR¿VÓõD×…?¿€ðk$ Âe¿QfƒL2rF?QfƒL2rF??«Ì”ÖßR¿QfƒL2rF¿QfƒL2rF¿?«Ì”ÖßR¿VÓõD×…??ðk$ Âe¿QfƒL2rF¿QfƒL2rF??«Ì”ÖßR¿VÓõD×…??ðk$ Âe¿€°¶-Êlp¿VÓõD×…?¿ðk$ Âe¿Úá¯ÉõP¿Úá¯ÉõP?1?74e§??Úá¯ÉõP¿Úá¯ÉõP¿1?74e§??4‚ëßõi?ÿA€ ]¿4‚ëßõi¿ÿA€ ]¿4‚ëßõi?ÿA€ ]¿€d?‹¥H¾2¿Úá¯ÉõP?Úá¯ÉõP?1?74e§??Úá¯ÉõP?Úá¯ÉõP¿1?74e§??4‚ëßõi¿ÿA€ ]¿w0bŸŠq¿w0bŸŠq?á iTàdk? ûrf»B??u;ûʃôT¿w0bŸŠq¿w0bŸŠq¿á iTàdk?w0bŸŠq?w0bŸŠq?á iTàdk? ûrf»B?¿u;ûʃôT¿w0bŸŠq?w0bŸŠq¿á iTàdk? ûrf»B?¿u;ûʃôT¿€MÖ¨‡h„¿ ûrf»B??u;ûʃôT¿ÅW;ŠsÔq¿ÅW;ŠsÔq?§¯çk–ËÈ¿ÅW;ŠsÔq¿ÅW;ŠsÔq¿§¯çk–ËÈ¿é`ýŸÃ|™¿˜„ yÇ¿é`ýŸÃ|™?˜„ yÇ¿é`ýŸÃ|™¿˜„ yÇ¿€®ñ™ìŸ§É¿ÅW;ŠsÔq?ÅW;ŠsÔq?§¯çk–ËÈ¿ÅW;ŠsÔq?ÅW;ŠsÔq¿§¯çk–ËÈ¿é`ýŸÃ|™?€˜„ yÇ¿èKo.’?èKo.’¿‰xëüÛeÇ?S±1¯#y?ú'¸XQÉ?èKo.’?èKo.’?‰xëüÛeÇ?èKo.’¿èKo.’¿‰xëüÛeÇ?S±1¯#y¿ú'¸XQÉ?èKo.’¿èKo.’?‰xëüÛeÇ?S±1¯#y¿ú'¸XQÉ?€À’«Xü¦È?S±1¯#y?ú'¸XQÉ?í Q/ q€?í Q/ q€?`k e²5h?€€€¾ Æ÷ µí{"str_E": -193.56568, "slab_E": -190.59214, "atom_E": -0.039435963, "ads_E": -2.934104036999986, "distance": 1.012, "Dipole_val": -0.0694739, "plane_index": 100, "ads_site": "1f"}{}7?„h‡¨ÖM?€q /Q í@› îÀ˜^©@ªàþ ¶¥ ÜÜ#M 4477ec82cb370bf7dcebaf62a8f24c55 ôô  systems ñùñ 6  öëàÖɺª  ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E ðð ads_site1f ríÙŲœ„r# plane_indexd! Dipole_val¿±É  lòr distance?ð1&éxÔþ ads_EÀy ‰Ïæ atom_E¿¤0óV¾• slab_EÀgÒòÏ•Ôé str_EÀh2 ñ€ óó version9 ÜÜ#M 4477ec82cb370bf7dcebaf62a8f24c55 ôô  @7Å~SW¤ øø hecc øø vasp õûõ  ž»×žáÊ«ì÷ ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ôô  ads_site «»×áÊ«ì÷#plane_index!Dipole_val distance ads_E atom_E slab_E str_E