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$M3617d9667e7ec6ed099c57279c7916d1#M 9583b59cb5bf262c16588b868011c603  @4sLD @4sLS @4sL @4sL}L( @4sLQ @4sL)i) @4sKڼ @4sK  @4sK  @4sKT  mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc  mse-gucc vasp vasp vaspvaspvaspvaspvaspvaspvasp vasp M}kYweSq_M       b?mJ'uR/ #mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap #mean_energy C_rate gap #mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rate gap  b?mJ'uR/ #mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap #mean_energy C_rate gap #mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rate gap  U'M  l 430645af93902daf3f9599aa1593ee9a@4sK @96|+mse-guccYѝ@Yѝ@Yѝ@o?o?ض(A&y?o?ض(A&y?o?oG8-x @lC8?lC8?ض(A&y?o?o?lC8?oG8-x @lC8?lC8?lC8?oG8-x @ g @ g @ g @b֋h@b֋h@$+?b֋h@$+?b֋h@W 3@duw@duw@$+?b֋h@b֋h@duw@W 3@duw@duw@duw@W 3@K7@K7@K7@J?J?J?/|݂t @݂t @݂t @/|݂t @݂t @݂t @/|vasp{}amamm77M=m77M=m77M=W>W>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@96{mse-guccsh|?sh|?WL?sh|?WL?sh|?o%;6 @sh|?sh|?WL?sh|?sh|?sh|?o%;6 @sh|?sh|?sh|?o%;6 @|y?|y?|y?72@72@|y?72@|y?72@WL@l!A s@l!A s@|y?72@72@l!A s@WL@l!A s@l!A s@l!A s@WL@WL@WL@WL@sh| @sh| @sh| @f~ @f~ @f~ @f~ @f~ @f~ @vasp{}aWtaWt_>Y1\_>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@96uomse-gucc@ޫV& @@ޫV& @.4ש@D?T[r??EB @l[??T[r?D??l[?EB @?|~!?|~!?c=y @@ޫV& @@ޫV& @:K @=~oӟ?=~oӟ?QQ?Nz1@Nz1@QQ?Mt@H}?}@B 3m@M@:#J{o@H}?Mt@}@M@B 3m@:#J{o@g,N@g,N@ꭁ@ ^@ ^@ꭁ@|~!?|~!?k&l?ꊓC+e @"$ @+e @ꊓC"$ @ % @ % @vasp{}awaw-ayTb.aۥ _? ;f?ۥ _Tb.a? ;f?ۥ _?Tb.a ;f?Tb.a?ۥ _ ;f?BYZg? !G? d d [O? d? d? 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J@W.23@hnP  Z' 'M  l) f9b2345461155cfb1443ae5378f7eba2@4sLS@96cmse-guccL2r @L2r @[[%X?V+~?V+~?[[%X?, @V-?>W[?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?_% $?|W4GV~Q4GV~Q?hxd?4GV~Q?4GV~Qhxd?{@p?{@p?7%&a1){"gap": 0.9262879999999996, "C_rate": 0.75, "mean_energy": 0.5015012881249996}{}?yE ?)1˺a@W/@h8n'M  l 4aebd9afaed8c195363e5ef1c57a91d9@4sL@96mse-gucc @ @kC4?,?,?kC4?H}x@` @Tƿϸp?K; @?FB[Υ?` @H}x@Tƿϸp??K; @FB[Υ?'XQ@'XQ@ v @j@+0 @j@+0 @ v @N@@N@@?"^F@:KT?9ѮBʏ@nض@`Vω@9ѮBʏ@:KT?"^F@9ѮBʏ@`Vω@nض@9ѮBʏ@Q,@Q,@ PS@N»\?N»\?ǘ?N@@N@@@Fau_ @c"a @_ @Fauc"a @<+i7d?Vc#P?L1%b?Vc#P<+i7dL1%b?Vc#P?<+i7d?L1%b?<+i7dVc#PL1%b?=mG?V_]U?GJ ƾ ƾ|X ) {"gap": 1.069604, "C_rate": 0.75, "mean_energy": 0.38345012687500013}{}?mab? )@Wtٰץ@h8n#'M  l! 98492a3793c9ebb69af677d0c30d5218@4sL}L(@96mse-gucc1* @Wf, @J$(?d?U? h"lx?,`n?"lxz,?Xni5?Qy @rCQO?Xni5?3K @U@?E 2I?\U] @?(\ @@z @xZ @p= ף?A4F?<?1Z@ٙB5@<?ea@@j'?Q@O],σ?7@`@M@ @+j0@r@H@t)*@vlu@d@I @vlu@^ D?Q?6qr @S?o*R@<@o|홥@ۅHg0( @wCY] @q @$A&zl`?`UN@S0&^?BB*Ŏơ~W?BB?0&^*Ŏơ~W?C8 1?C8 1VL`?ƒf׽eƒf׽e? o37p37pC8o?&&?&&Y{"gap": 0.42740000000000045, "C_rate": 0.75, "mean_energy": 0.44959351375}{}?}ѹT?o8C@W nX@h8n  a a 'M  l 26c42f34c065d39d5c6df9c1bac9cea5@4sLD@96mse-guccni5$ @g?@؞Y& @e ?B&9 @؞Y& @h?RDU?N?&K?(A& @m2d?&K?}R @3@p $ ?1%e?̯ @p $ ?WLx?oTA?#2 @{Ic @scz @#2 @UB?^)?s?Qy@b->@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