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    d d  H# j gm E  B  $M19f82aa9cbcac24177dd46be5cacf363$Md4ed8b80ee834d98905b34604fab81c1$M79d8428964ccdb24e07569fc61a223c7$M5812eca22e5cc9d1a311fc53826a9429$M5a1d50e69a46efe3e7f6cb0cd1bddf98$M5efe366ed96deba87766464f56fad509$Mae7292501915293b204543118e86ae2e$M6a55444c2dae9069702631025076a448$M8a4b6268a394c6a683b67a75598f6e8b$Mf4d80d0f66cf0ad5aada9c0d6962f063$M2ba644956d7075aab290dc51e5fece77$M1ec548f94183f35a85f60a3c554f73cb$Medefa80b03248151f58a3d199330c531 $M79dd94f2957e711edb950aba837ec091 $M68aaeaf59e4130a180bef7a2416d6c29 $M26c42f34c065d39d5c6df9c1bac9cea5 $Mf9b2345461155cfb1443ae5378f7eba2 $M4aebd9afaed8c195363e5ef1c57a91d9$M98492a3793c9ebb69af677d0c30d5218$M45c9d7477f3e06c1b5ce21c868217d97$M3c75c0d926160da61c88075311e9231f$M765eddbd14413f63391735523b288ffb$M430645af93902daf3f9599aa1593ee9a$M3617d9667e7ec6ed099c57279c7916d1#M 9583b59cb5bf262c16588b868011c603  systems K h{ri`WNE<3*!vmd[RI@7.%  z q hKJ IHG FED CBA @?> =<; :98 765 432 10/ .-, +*) (' & % $ # " !                             K M|kbVE<0 ~raXL;2&  } t h W N B 1 (   s j ^ MK#mean_energy JC_rateIgapH#mean_energy GC_rateFgapE#mean_energy DC_rateCgapB#mean_energy AC_rate@gap?#mean_energy >C_rate=gap<#mean_energy ;C_rate:gap9#mean_energy 8C_rate7gap6#mean_energy 5C_rate4gap3#mean_energy 2C_rate1gap0#mean_energy /C_rate.gap-#mean_energy ,C_rate+gap*#mean_energy )C_rate(gap'#mean_energy &C_rate %gap $#mean_energy #C_rate "gap !#mean_energy C_rate gap #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  K oZ@.}kV<* y g R 8 &  u c N 4 " q _ J 0  m [ F ,   K#mean_energy?VzՠJC_rate?Igap?: ˠH#mean_energy?ڢ"@GC_rate?Fgap?ӄvE#mean_energy?vDC_rate?Cgap?L B#mean_energy?ހNAC_rate?@gap?-t*0?#mean_energy?ܞQp>C_rate?=gap?@x<#mean_energy?@}X`;C_rate?:gap@ID#9#mean_energy?Re8C_rate?7gap?d?6#mean_energy?FI:5C_rate?4gap?d3#mean_energy?d h2C_rate?1gap?N= @0#mean_energy?ձBP/C_rate?.gap@O|L-#mean_energy?DOK,C_rate?+gap?~*#mean_energy?Y.)C_rate?(gap?]eD'#mean_energy? &C_rate? %gap@?z8 $#mean_energy?J3u #C_rate? "gap?y_ !#mean_energy?dP  C_rate? gap?}z@ #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  d d  H# j gm E  B  $M19f82aa9cbcac24177dd46be5cacf363$Md4ed8b80ee834d98905b34604fab81c1$M79d8428964ccdb24e07569fc61a223c7$M5812eca22e5cc9d1a311fc53826a9429$M5a1d50e69a46efe3e7f6cb0cd1bddf98$M5efe366ed96deba87766464f56fad509$Mae7292501915293b204543118e86ae2e$M6a55444c2dae9069702631025076a448$M8a4b6268a394c6a683b67a75598f6e8b$Mf4d80d0f66cf0ad5aada9c0d6962f063$M2ba644956d7075aab290dc51e5fece77$M1ec548f94183f35a85f60a3c554f73cb$Medefa80b03248151f58a3d199330c531 $M79dd94f2957e711edb950aba837ec091 $M68aaeaf59e4130a180bef7a2416d6c29 $M26c42f34c065d39d5c6df9c1bac9cea5 $Mf9b2345461155cfb1443ae5378f7eba2 $M4aebd9afaed8c195363e5ef1c57a91d9$M98492a3793c9ebb69af677d0c30d5218$M45c9d7477f3e06c1b5ce21c868217d97$M3c75c0d926160da61c88075311e9231f$M765eddbd14413f63391735523b288ffb$M430645af93902daf3f9599aa1593ee9a$M3617d9667e7ec6ed099c57279c7916d1#M 9583b59cb5bf262c16588b868011c603 reXK>1$  @4sOs @4sOCp @4sO| @4sO@z @4sOs @4sNq @4sNB9 @4sNdp @4sNy! @4sN4V @4sNE @4sMR @4sM @4sMaU @4sM1$  mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc mse-gucc  mse-gucc  zqh_VMD;2) vaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvasp vasp vasp vasp vasp vaspvaspvaspvaspvaspvaspvasp vasp K?}kYG5#o]KweSA/ {iWEq_M;)ucQ?KJIHGFEDCBA@?>=<;:9876543210/.-,+*)('&%$#"!        K b?mJ' x U 2  mJ'xU2 ` =  uR/ ]: h E " #mean_energyK C_rateJgapI#mean_energyH C_rateGgapF#mean_energyE C_rateDgapC#mean_energyB C_rateAgap@#mean_energy? C_rate>gap=#mean_energy< C_rate;gap:#mean_energy9 C_rate8gap7#mean_energy6 C_rate5gap4#mean_energy3 C_rate2gap1#mean_energy0 C_rate/gap.#mean_energy- C_rate,gap+#mean_energy* C_rate)gap(#mean_energy' C_rate&gap%#mean_energy$ C_rate#gap"#mean_energy! C_rate gap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_rategap#mean_energy C_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  K b?mJ' x U 2  mJ'xU2 ` =  uR/ ]: h E " #mean_energyK C_rateJgapI#mean_energyH C_rateGgapF#mean_energyE C_rateDgapC#mean_energyB C_rateAgap@#mean_energy? 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C_rate gap#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 @9MFmse-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@$+?b֋h@b֋h@duw@W 3@duw@duw@duw@W 3@K7@K7@K7@J?J?J?/|݂t @݂t @݂t @/|݂t @݂t @݂t @/|vasp{}amamm77M=m77M=m77M=W>W>뤾,t?W>뤾,t?W>| E?GnM-q?GnM-q?뤾,t?W>W>GnM-q?| E?GnM-q?GnM-q?GnM-q?| E?'*t?'*t?'*t?_ @?_ @?eav_ @?eav_ @?/nR?%]3fk%]3fkeav_ @?_ @?%]3fk/nR?%]3fk%]3fk%]3fk/nR?-Rl-Rl-Rl}Aq}Aq}Aq4I4I4Ipmpmpm{"gap": 2.394767, "C_rate": 0.875, "mean_energy": 0.17717400812499928}{}? xˁ>I4@W @hnP('M  l+ 3617d9667e7ec6ed099c57279c7916d1@4sK@9M"mse-guccsh|?sh|?WL?sh|?WL?sh|?o%;6 @sh|?sh|?WL?sh|?sh|?sh|?o%;6 @sh|?sh|?sh|?o%;6 @|y?|y?|y?72@72@|y?72@|y?72@WL@l!A s@l!A s@|y?72@72@l!A s@WL@l!A s@l!A s@l!A s@WL@WL@WL@WL@sh| @sh| @sh| @f~ @f~ @f~ @f~ @f~ @f~ @vasp{}aWtaWt_>Y1\_>Y1\_>Y1\>_>Y1\_>Y1\>_>Y1\>b[>Nb[>Nb[>Nb[>N?b[>N?b[>Nb[>N?b[>Nb[>N?aP?aPaPb[>Nb[>N?b[>N?aPaP?aPaPaPaP?aP?aP?aP?}O3?}O3?}O3?{"gap": 1.3814150000000005, "C_rate": 0.875, "mean_energy": 0.2768847837499999}{}?[U?3O}@W3e@hnP('M  l+ 9583b59cb5bf262c16588b868011c603@4sKT@9M?mse-gucc@ޫV& @@ޫV& @.4ש@D?T[r??EB @l[??T[r?D??l[?EB @?|~!?|~!?c=y @@ޫV& @@ޫV& @:K @=~oӟ?=~oӟ?QQ?Nz1@Nz1@QQ?Mt@H}?}@B 3m@M@:#J{o@H}?Mt@}@M@B 3m@:#J{o@g,N@g,N@ꭁ@ ^@ ^@ꭁ@|~!?|~!?k&l?ꊓC+e @"$ @+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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