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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  H#m$M26c42f34c065d39d5c6df9c1bac9cea5 $Mf9b2345461155cfb1443ae5378f7eba2 $M4aebd9afaed8c195363e5ef1c57a91d9$M98492a3793c9ebb69af677d0c30d5218$M45c9d7477f3e06c1b5ce21c868217d97$M3c75c0d926160da61c88075311e9231f$M765eddbd14413f63391735523b288ffb$M430645af93902daf3f9599aa1593ee9a$M3617d9667e7ec6ed099c57279c7916d1#M 9583b59cb5bf262c16588b868011c603  systems {ri`WNE<3*!                         |kbVE<0 #mean_energy C_rate gap #mean_energy C_rate gap #mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rate gap #mean_energy C_rate gap #mean_energy C_rategap#mean_energy C_rategap# mean_energy  C_rate gap   yoZ@.}kV<* y#mean_energy?XA3QP C_rate? gap?eр #mean_energy? Lmˆ C_rate? gap?&U #mean_energy?؊rfϰC_rate?gap?z#mean_energy?#߃2C_rate?gap?Zݠ#mean_energy?᠗=ɺC_rate?gap?=)V:#mean_energy?J(10C_rate? gap?Vx #mean_energy?k C_rate? gap?mZ #mean_energy?ƭMLC_rate?gap@({Q#mean_energy?ѸzאC_rate?gap?FsB# mean_energy?S C_rate? gap?~`Ï6h  version9 H#m$M26c42f34c065d39d5c6df9c1bac9cea5 $Mf9b2345461155cfb1443ae5378f7eba2 $M4aebd9afaed8c195363e5ef1c57a91d9$M98492a3793c9ebb69af677d0c30d5218$M45c9d7477f3e06c1b5ce21c868217d97$M3c75c0d926160da61c88075311e9231f$M765eddbd14413f63391735523b288ffb$M430645af93902daf3f9599aa1593ee9a$M3617d9667e7ec6ed099c57279c7916d1#M 9583b59cb5bf262c16588b868011c603  @4sLD @4sLS @4sL @4sL}L( @4sLQ @4sL)i) @4sKڼ @4sK  @4sK  @4sKT  mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc  mse-gucc vasp vasp vaspvaspvaspvaspvaspvaspvasp vasp M}kYweSq_M       b?mJ'uR/ #mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap #mean_energy C_rate gap #mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rate gap  b?mJ'uR/ #mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap #mean_energy C_rate gap #mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rate gap  U'M  l 430645af93902daf3f9599aa1593ee9a@4sK @9W>뤾,t?W>뤾,t?W>| E?GnM-q?GnM-q?뤾,t?W>W>GnM-q?| E?GnM-q?GnM-q?GnM-q?| E?'*t?'*t?'*t?_ @?_ @?eav_ @?eav_ @?/nR?%]3fk%]3fkeav_ @?_ @?%]3fk/nR?%]3fk%]3fk%]3fk/nR?-Rl-Rl-Rl}Aq}Aq}Aq4I4I4Ipmpmpm{"gap": 2.394767, "C_rate": 0.875, "mean_energy": 0.17717400812499928}{}? xˁ>I4@W @hnP('M  l+ 3617d9667e7ec6ed099c57279c7916d1@4sK@9Y1\_>Y1\_>Y1\>_>Y1\_>Y1\>_>Y1\>b[>Nb[>Nb[>Nb[>N?b[>N?b[>Nb[>N?b[>Nb[>N?aP?aPaPb[>Nb[>N?b[>N?aPaP?aPaPaPaP?aP?aP?aP?}O3?}O3?}O3?{"gap": 1.3814150000000005, "C_rate": 0.875, "mean_energy": 0.2768847837499999}{}?[U?3O}@W3e@hnP('M  l+ 9583b59cb5bf262c16588b868011c603@4sKT@9Y1\>#-#F'eRC;ͮ{+bՔd] 3mJc_>Y1\>'eRC;#-#Fͮ{+bàL(àL(jIG9h? fh @b-> @}\*?˹W}?֋hW?}\*?֋hW?˹W}?.R\Uv @˹W}?˹W}?al!A ? Tƿ? Tƿ?67?K= @ Tƿ?67? Tƿ?K= @Hm @vR~ @vR~ @^x?NP?NP?JFžv@ ԏ@NP?JFžv@NP? ԏ@X?wӂ}@wӂ}@^}t@o%;@ۅ:t@^}t@ۅ:t@o%;@Sy;i@o%;@o%;@0[w@!vy@!vy@YU [f- @f- @*SѮ @*SѮ @*SѮ @*SѮ @vasp{}aJ faJ fa2U0*Sa2U0*S?a2U0*S?eS?eS bGpeS? bGpeS bGp?eSeSᱟr?)_?)_?)_ᱟr)_?)_)_?ᱟr3O,3O,?3O,?מYRMnK?MnK?MnKמYR?MnK?MnKMnK?מYR?I%riI%ri?I%ri?Oʤ6Oʤ6?4J?Oʤ64J?Oʤ6?4JOʤ6?Oʤ6?LnQ?LnQLnQJ !?J !?J !?!,ҏ!,ҏ?!,ҏ?{"gap": 1.3543519999999987, "C_rate": 0.875, "mean_energy": 0.2651206568749993}{}?vNu?! J@W.23@hnP  Z' 'M  l) f9b2345461155cfb1443ae5378f7eba2@4sLS@9W[?V-?, @>W[?_L@_L@7 @MJA @MJA @7 @x@?x@?ZӼ?@@@bՐ@@+0d@g u?@@+0d@bՐ@=>@@+0d@@@s,&6@.@.@U 7 @E_A@.n @d;O?.n @E_A@d;O?-|f`V@K @ax @V@K @-|f`ax @H @H @vasp{}a*/a,WJ'L5f?J'L5f??{&jJ'L5fJ'L5f?{&jA 1?A 1!9U`A 1A 1?!9U`A_zsq?A_zsq?qUA_zsqA_zsqqUZ(i ҌEy?J]2A?-sM?-X?-sMJ]2A-X?-sM?J]2A?-X?J]2A-sM-X?_% $?|W4GV~Q4GV~Q?hxd?4GV~Q?4GV~Qhxd?{@p?{@p?7%&a1){"gap": 0.9262879999999996, "C_rate": 0.75, "mean_energy": 0.5015012881249996}{}?yE ?)1˺a@W/@h8n'M  l 4aebd9afaed8c195363e5ef1c57a91d9@4sL@9<+i7d?Vc#P?L1%b?Vc#P<+i7dL1%b?Vc#P?<+i7d?L1%b?<+i7dVc#PL1%b?=mG?V_]U?GJ ƾ ƾ|X ) {"gap": 1.069604, "C_rate": 0.75, "mean_energy": 0.38345012687500013}{}?mab? )@Wtٰץ@h8n#'M  l! 98492a3793c9ebb69af677d0c30d5218@4sL}L(@9&zl`?`UN@S0&^?BB*Ŏơ~W?BB?0&^*Ŏơ~W?C8 1?C8 1VL`?ƒf׽eƒf׽e? o37p37pC8o?&&?&&Y{"gap": 0.42740000000000045, "C_rate": 0.75, "mean_energy": 0.44959351375}{}?}ѹT?o8C@W nX@h8n  a a 'M  l 26c42f34c065d39d5c6df9c1bac9cea5@4sLD@9@s?Wc#?T˜@"A@6q@$@"A@fffff@ytͤ@5l@bg @($ @5l@6!݁@3k??@"@EV@?@j Vvr=]6j @_' @zý @J ?W: @W @W @vasp{}a>sea> !` !`?'>I? !` !`?'>I?kC8C?kC8C$Di=kC8C?kC8C$Di=_ @?_ @6q?_ @?_ @6q?cJU?cJUV*e?cJU?cJUV*e? @=? @=0 "r @=? @=0 "r8j338j33?0ef8j338j33?0efِf/?ِf/臭S?ِf/?ِf/臭S?4 ;H4 ;H?eV4 ;H4 ;H?eV~ -t~ -teQ?MR?MR2{Y&{"gap": 1.212358, "C_rate": 0.75, "mean_energy": 0.380386638750001}{}?rQ_?Qe@WqA}OJ@h8n