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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  & &¥O(MƒD”\{”\l˜) 235979d05f8d430e2e5a7d26d20ed3b1@7Å‚é*V.@8kÉ¢â«hecc6å ïr‘@™Gþ`À&@xEð¿•lõ?fI€šZ¶ó?|~!<º$@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!@ ÜÜ#M 235979d05f8d430e2e5a7d26d20ed3b1 ôô  systems ñùñ 6  ªöëàÖɺªƒvi\OB5( þðâÔƸª  no_equ_18  no_equ_17  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  §ñ§^Ë7 î ¥ \  Å z . â “ E õ §L no_equ_18ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761N no_equ_17ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613L no_equ_16ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696M no_equ_15ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774J no_equ_14ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448J no_equ_13ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465I  no_equ_12ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632J  no_equ_11ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313I  no_equ_10ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501G  no_equ_9ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653G  no_equ_8ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327G no_equ_7ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799H no_equ_6ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506H no_equ_5ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935G no_equ_4ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616H no_equ_3ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237G no_equ_2ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415H no_equ_1ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046  ads_sitef 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 235979d05f8d430e2e5a7d26d20ed3b1 ôô  @7Å‚é*V. øø hecc øø vasp õûõ  «»×žáÊ‘ ÿñãÕǹ«„wj]PC6)«ì÷ no_equ_18 no_equ_17 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 ôçqcUG9+ÚÍÀ³¦™Œ no_equ_18 no_equ_17 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 «»×áÊ«ì÷#plane_index!Dipole_val distance ads_E atom_E slab_E str_E6å 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": "f", "no_equ_1": "ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046", "no_equ_2": "ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415", "no_equ_3": "ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237", "no_equ_4": "ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616", "no_equ_5": "ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935", "no_equ_6": "ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506", "no_equ_7": "ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799", "no_equ_8": "ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327", "no_equ_9": "ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653", "no_equ_10": "ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501", "no_equ_11": "ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313", "no_equ_12": "ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632", "no_equ_13": "ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465", "no_equ_14": "ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448", "no_equ_15": "ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774", "no_equ_16": "ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696", "no_equ_17": "ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613", "no_equ_18": "ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761"}{}7?„h‡¨ÖM?€q /Q í@› îÀ˜^©@ªàþ ¶¥