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 ŠŠšs(MƒD”\{”\l‚q 7f15a1e90c4f3cfd48c9f9c159ce5be7@7Å~ {@91ã; ã=hecc OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOc¹¥Õ¸÷?fË-­6+@ŠY/†r¢ú?c¹¥Õ¸÷?ÞŽpZð¢'@Z/†r¢Ý÷?š_Í‚¹@qÉq§t€'@Z/†r¢Ý÷?bg ·@qÉq§t€'@ K< lÊ@c¹¥Õ¸÷?ö(\Â…'@ K< lÊ@_^€}tÊ@º,&6w'@ K< lÊ@Ic´Žª¦@º,&6w'@•Öÿ9ì@c¹¥Õ¸÷?ÞŽpZð¢'@= ×£p@š_Í‚¹@qÉq§t€'@= ×£p@bg ·@qÉq§t€'@oض(³Á@GrùéÇ!@¢zk`«d#@oض(³Á@ûWVš”Â@¢zk`«d#@ý¤Ú§ã±@c¹¥Õ¸@ˆht±s#@Ü)¬ÿ³@GrùéÇ!@¢zk`«d#@Ü)¬ÿ³@ûWVš”Â@¢zk`«d#@y’tÍä»@c¹¥Õ¸@ˆht±s#@6ŽX‹O¡?W²c##@OjMs@W²c##@c¹¥Õ¸@,Ÿåyp‡#@m9—⪲÷?c¹¥Õ¸÷?°¶-ʬ@ìì†m‹÷?ý0Bx´Ñ@¢ÑÄδ@ìì†m‹÷?¬ò“jŸ@¢ÑÄδ@ K< lÊ@c¹¥Õ¸÷?2rö´£@ K< lÊ@…BBÕ@Žé K< @ K< lÊ@$0ðÜ›@Žé K< @¹ÇÒ‡.¨@c¹¥Õ¸÷?°¶-ʬ@üÞ¦?û±@ý0Bx´Ñ@¢ÑÄδ@üÞ¦?û±@¬ò“jŸ@¢ÑÄδ@OGÉ«³@|í™%Ê!@¦›Ä °r@OGÉ«³@`Í‚9º@¦›Ä °r@c@öz·@c¹¥Õ¸@´å\Š«j@Ða¾¼»@|í™%Ê!@¦›Ä °r@Ða¾¼»@`Í‚9º@¦›Ä °r@)³A&¹@c¹¥Õ¸@´å\Š«j@ <÷.É!@€Ô&Nîw@!“Œœ…½@€Ô&Nîw@c¹¥Õ¸@Ù™Bç5v@c¹¥Õ¸÷?c¹¥Õ¸÷?2rö´ƒ @c¹¥Õ¸÷? K< lÊ@2rö´ƒ @c¹¥Õ¸÷?Ÿvøk²¦@2rö´ƒ @ K< lÊ@c¹¥Õ¸÷?2rö´ƒ @ K< lÊ@ K< lÊ@2rö´ƒ @ K< lÊ@Ÿvøk²¦@2rö´ƒ @Ÿvøk²¦@c¹¥Õ¸÷?2rö´ƒ @Ÿvøk²¦@ K< lÊ@2rö´ƒ @Ÿvøk²¦@Ÿvøk²¦@2rö´ƒ @*Wx—‹¸@–[Z ‰{÷?*Wx—‹¸@*Wx—‹¸@–[Z ‰{÷?*Wx—‹¸@c¹¥Õ¸@–[Z ‰{÷?c¹¥Õ¸@–[Z ‰{÷?c¹¥Õ¸@*Wx—‹¸@–[Z ‰{÷?c¹¥Õ¸@c¹¥Õ¸@–[Z ‰{÷?–[Z ‰{÷?*Wx—‹¸@–[Z ‰{÷?c¹¥Õ¸@–[Z ‰{÷?@ÀZµkÊ!@@ÀZµkÊ!@ãý¸ýòÅ@@[{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}]vasp{}Àe-DyÀe—PŽ¸À€€ùNÌz1”S¿„ó©c•Òƒ?€–—üOþî]¿oöÊmûn¿ã©GÜÖV¿×3ÂÛƒ¿oöÊmûn¿ã©GÜÖV?×3ÂÛƒ¿€€¢a1êZ{o?€—=Ô¶a4?ìNwžxÎF¿€—=Ô¶a4¿ìNwžxÎF¿„ó©c•Òƒ¿€–—üOþî]¿oöÊmûn?ã©GÜÖV¿×3ÂÛƒ¿oöÊmûn?ã©GÜÖV?×3ÂÛƒ¿]‰@õ"Y¿•Öÿ9Ìg?M.ÆÀ:Ž_?]‰@õ"Y¿•Öÿ9Ìg¿M.ÆÀ:Ž_?l=C8fÙs¿€ ¼“Om)¿]‰@õ"Y?•Öÿ9Ìg?M.ÆÀ:Ž_?]‰@õ"Y?•Öÿ9Ìg¿M.ÆÀ:Ž_?l=C8fÙs?€ ¼“Om)¿€lxz¥,C\¿¨©ek}q¿€lxz¥,C\?¨©ek}q¿€€Ô¬§V_}¿ïô¥·?W¿€ÍXä׿+~©Ÿ7e¿EœN²Õåd¿`Xþ|[°t¿+~©Ÿ7e¿EœN²Õåd?`Xþ|[°t¿€€J˜iûWv¿€ÁÉ6pêt?äM~‹N–z¿€ÁÉ6pêt¿äM~‹N–z¿ïô¥·?W?€ÍXä׿+~©Ÿ7e?EœN²Õåd¿`Xþ|[°t¿+~©Ÿ7e?EœN²Õåd?`Xþ|[°t¿÷Ý—3ÛE?/ö^|Ñ^¿óWÈ\T;¿÷Ý—3ÛE?/ö^|Ñ^?óWÈ\T;¿ï‘ÍUóq?€Tâ:Æe¿÷Ý—3ÛE¿/ö^|Ñ^¿óWÈ\T;¿÷Ý—3ÛE¿/ö^|Ñ^?óWÈ\T;¿ï‘ÍUóq¿€Tâ:Æe¿€œÜïPèc?Š’HÛøs¿€œÜïPèc¿Š’HÛøs¿€€uª)É:\?å ZHÀè‚?€å™—ÃîÏ¿ö LnY›¿ú`ºy¿÷x!Âпö LnY›¿ú`ºy?÷x!Âп€€OqN`п€,GÈ@ž}?ŒKUÚâÒ¿€,GÈ@ž}¿ŒKUÚâÒ¿å ZHÀè‚¿€å™—ÃîÏ¿ö LnY›?ú`ºy¿÷x!Âпö LnY›?ú`ºy?÷x!ÂпAG«ZÒ?.ŽÊMÔÒŒ¿ö›‰éB¬Ñ?AG«ZÒ?.ŽÊMÔÒŒ?ö›‰éB¬Ñ?z8é´n“?€BµÁ‰è×Ð?AG«ZÒ¿.ŽÊMÔÒŒ¿ö›‰éB¬Ñ?AG«ZÒ¿.ŽÊMÔÒŒ?ö›‰éB¬Ñ?z8é´n“¿€BµÁ‰è×Ð?€J´äñ´Œ¿û`­Ú5Ñ?€J´äñ´Œ?û`­Ú5Ñ?€€bjKäõÑ?Ö»Uá7é„?`ˆœÕo/ˆ?3D’÷y–a?€€€¾®2ðîE1{"str_E": -168.66178, "slab_E": -165.0637, "atom_E": -0.29474202, "ads_E": -3.3033379799999816, "distance": 1.78856, "Dipole_val": -1.32735, "plane_index": 100, "ads_site": "1b"}{}7?„,22]¶Ø?ˆ/oÕœˆ`@¤¼âÁ=Õ@ÄÓ–ÕËy ÜÜ#M 7f15a1e90c4f3cfd48c9f9c159ce5be7 ôô  systems ñùñ O6 öëàÖɺª  ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E ðð ads_site1b ríÙŲœ„r# plane_indexd! Dipole_val¿õ<ÓZ…‡” distance?üñ.ð® ads_EÀ m