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_indexsystemsCREATE INDEX username_index ON systems(username)H #aindexctime_indexsystemsCREATE 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)-A indexsqlite_autoindex_systems_1systems #mH $M7eb55b93620057c199bf69aaf580c616$M595d4c13b40505314ed4d66471c18ede$M300141b0449449af0b566fa3f6b40fb8$M60a978082364e2a3881d78c2d8135e32$M5b9ec0af3c1903a2daf5fb3877a2bae5$M9b00394556c76fd7950050ca57892315$M235979d05f8d430e2e5a7d26d20ed3b1#M 33e76b44fbbb19b265a4458a691630a6 systems z z 6 6 6 6 6 66 6 vi\OB5(zi[M?1# t e V K ? 3 ( {m^O@1"|n`RD6( v g X M A 5 * } o ` Q B 3 $ qbSD5&{k_RE9*qaQA1!qbSD5&wgWG7' Yno_equ_31 Xno_equ_30 Wno_equ_29 Vno_equ_28 Uno_equ_27 Tno_equ_26 Sno_equ_25 Rno_equ_24 Qno_equ_23 Pno_equ_22 Ono_equ_21 Nno_equ_20 Mno_equ_19 Lno_equ_18 Kno_equ_17 Jno_equ_16 Ino_equ_15 Hno_equ_14 Gno_equ_13 Fno_equ_12 Eno_equ_11 Dno_equ_10Cno_equ_9Bno_equ_8Ano_equ_7@no_equ_6?no_equ_5>no_equ_4=no_equ_3<no_equ_2;no_equ_1:ads_site9#plane_index8!Dipole_val7distance 6ads_E 5atom_E 4slab_E 3str_E 2no_equ_15 1no_equ_14 0no_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$no_equ_1#ads_site"#plane_index!!Dipole_val distance ads_E atom_E slab_E str_E no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10no_equ_9no_equ_8no_equ_7no_equ_6no_equ_5no_equ_4no_equ_3 no_equ_2no_equ_1ads_site #plane_index !Dipole_valdistance ads_E atom_E slab_E str_E no_equ_19 no_equ_18 no_equ_17 no_equ_16 no_equ_15 ~no_equ_14 }no_equ_13 |no_equ_12 {no_equ_11 zno_equ_10yno_equ_9xno_equ_8wno_equ_7vno_equ_6uno_equ_5tno_equ_4sno_equ_3rno_equ_2qno_equ_1pads_siteo#plane_indexn!Dipole_valmdistance lads_E katom_E jslab_E istr_E hno_equ_21 gno_equ_20 fno_equ_19 eno_equ_18 dno_equ_17 cno_equ_16 bno_equ_15 ano_equ_14 `no_equ_13 _no_equ_12 ^no_equ_11 ]no_equ_10\no_equ_9[no_equ_8Zno_equ_7Yno_equ_6Xno_equ_5Wno_equ_4Vno_equ_3Uno_equ_2Tno_equ_1Sads_siteR#plane_indexQ!Dipole_valPdistance Oads_E Natom_E Mslab_E Lstr_E Kno_equ_17 Jno_equ_16 Ino_equ_15 Hno_equ_14 Gno_equ_13 Fno_equ_12 Eno_equ_11 Dno_equ_10Cno_equ_9Bno_equ_8Ano_equ_7@no_equ_6?no_equ_5>no_equ_4=no_equ_3<no_equ_2;no_equ_1:ads_site9#plane_index8!Dipole_val7distance 6ads_E 5atom_E 4slab_E 3str_E 2no_equ_18 1no_equ_17 0no_equ_16 /no_equ_15 .no_equ_14 -no_equ_13 ,no_equ_12 +no_equ_11 *no_equ_10)no_equ_9(no_equ_8'no_equ_7&no_equ_6%no_equ_5$no_equ_4#no_equ_3"no_equ_2!no_equ_1 ads_site#plane_index!Dipole_valdistance ads_E atom_E slab_E str_E 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 v ; 8_ r^I4 t[H4 u a J 1 u`K7 r_ 8#plane_indexd7!Dipole_valϲZ6distance@05ads_E?U@4atom_E3slab_Egϕ2str_EgKC1#plane_indexd0!Dipole_val?\90/distance?ͩ >!.ads_E 76-atom_E,slab_Egϕ+str_Ehh'(*#plane_indexd)!Dipole_val?>˳(distance?$9,A'ads_Ek*E&atom_E:W%slab_Egϕ$str_EhR-###plane_indexd"!Dipole_val?Цv !distance?ك+ a ads_EeNJmatom_Eܤ$slab_Egϕstr_Eh~|#plane_indexd!Dipole_val?ۗ"5distance?Лl3/ads_EkQatom_ENp[Islab_Egϕstr_Eh.#plane_indexd!Dipole_val?(distance?%iads_EX|satom_EQ%lK,slab_Egϕstr_Eh6&,s#plane_indexd !Dipole_val lrdistance?1&xads_Ey atom_E0V slab_Egϕstr_Eh2 # plane_indexd! Dipole_val` distance?+ ads_EƎE atom_E ' slab_Egϕ str_Eh#^J82 version9 #mH $M7eb55b93620057c199bf69aaf580c616$M595d4c13b40505314ed4d66471c18ede$M300141b0449449af0b566fa3f6b40fb8$M60a978082364e2a3881d78c2d8135e32$M5b9ec0af3c1903a2daf5fb3877a2bae5$M9b00394556c76fd7950050ca57892315$M235979d05f8d430e2e5a7d26d20ed3b1#M 33e76b44fbbb19b265a4458a691630a6 @7łC @7ł?@7ł;@7ł7@7ł3mb@7ł.@7ł*V. @7ł&@ hecchecchecchecchecchecchecc hecc vaspvaspvaspvaspvaspvaspvasp vasp y + c` G ~d FA Q : r pW 9v3 C I }5 : o' + a S x E }i 7 nZ ) _K q P< A-J ,h% w= Zyj0 L ]# >Px 0C k t"6 ^ f) Q Xq SO \ * g 6 no_equ_31 no_equ_30 no_equ_29 no_equ_28 no_equ_27 no_equ_26 no_equ_25 no_equ_24 no_equ_23 no_equ_22 no_equ_21 no_equ_20 no_equ_19 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 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 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 no_equ_19 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_10zno_equ_9yno_equ_8xno_equ_7wno_equ_6vno_equ_5uno_equ_4tno_equ_3sno_equ_2rno_equ_1qads_sitep#plane_indexo!Dipole_valndistancem ads_El atom_Ek slab_Ej str_Ei no_equ_21h no_equ_20g no_equ_19f no_equ_18e no_equ_17d no_equ_16c no_equ_15b no_equ_14a no_equ_13` no_equ_12_ no_equ_11^ no_equ_10]no_equ_9\no_equ_8[no_equ_7Zno_equ_6Yno_equ_5Xno_equ_4Wno_equ_3Vno_equ_2Uno_equ_1Tads_siteS#plane_indexR!Dipole_valQdistanceP ads_EO atom_EN slab_EM str_EL no_equ_17K no_equ_16J no_equ_15I no_equ_14H no_equ_13G no_equ_12F no_equ_11E no_equ_10Dno_equ_9Cno_equ_8Bno_equ_7Ano_equ_6@no_equ_5?no_equ_4>no_equ_3=no_equ_2<no_equ_1;ads_site:#plane_index9!Dipole_val8distance7 ads_E6 atom_E5 slab_E4 str_E3 no_equ_182 no_equ_171 no_equ_160 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_valdistance ads_E atom_E slab_E str_E no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10no_equ_9no_equ_8no_equ_7no_equ_6no_equ_5 no_equ_4no_equ_3no_equ_2 no_equ_1 ads_site#plane_index!Dipole_valdistance ads_E atom_E slab_E str_E a ) q q c c c U qUq qU G c~Gc cqG 9 Uo9U Uc9 + F`+G GU+ 7Q9 9G B+ +93+$ pa ~ q no_equ_31 no_equ_30 no_equ_29 no_equ_28 no_equ_27 no_equ_26 no_equ_25 no_equ_24 no_equ_23 no_equ_22 no_equ_21 no_equ_20 no_equ_19 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 no_equ_15 no_equ_14 no_equ_13 no_equ_12~ no_equ_11} no_equ_10|no_equ_9{no_equ_8zno_equ_7yno_equ_6xno_equ_5wno_equ_4vno_equ_3uno_equ_2tno_equ_1sads_siter no_equ_16q no_equ_15p no_equ_14o no_equ_13n no_equ_12m no_equ_11l no_equ_10kno_equ_9jno_equ_8ino_equ_7hno_equ_6gno_equ_5fno_equ_4eno_equ_3dno_equ_2cno_equ_1bads_sitea no_equ_19` no_equ_18_ no_equ_17^ no_equ_16] no_equ_15\ no_equ_14[ no_equ_13Z no_equ_12Y no_equ_11X no_equ_10Wno_equ_9Vno_equ_8Uno_equ_7Tno_equ_6Sno_equ_5Rno_equ_4Qno_equ_3Pno_equ_2Ono_equ_1Nads_siteM no_equ_21L no_equ_20K no_equ_19J no_equ_18I no_equ_17H no_equ_16G no_equ_15F no_equ_14E no_equ_13D no_equ_12C no_equ_11B no_equ_10Ano_equ_9@no_equ_8?no_equ_7>no_equ_6=no_equ_5<no_equ_4;no_equ_3:no_equ_29no_equ_18ads_site7 no_equ_176 no_equ_165 no_equ_154 no_equ_143 no_equ_132 no_equ_121 no_equ_110 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% 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_10no_equ_9no_equ_8no_equ_7no_equ_6no_equ_5no_equ_4no_equ_3no_equ_2no_equ_1ads_site no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10no_equ_9 no_equ_8 no_equ_7no_equ_6no_equ_5no_equ_4no_equ_3no_equ_2no_equ_1 ads_site 8 Q ec a+) }53 tr pUS Q@> KI #plane_index8!Dipole_val7distance6 ads_E5 atom_E4 slab_E3 str_E2#plane_index1!Dipole_val0distance/ ads_E. atom_E- slab_E, str_E+#plane_index*!Dipole_val)distance( ads_E' atom_E& slab_E% str_E$#plane_index#!Dipole_val"distance! ads_E atom_E slab_E str_E#plane_index!Dipole_valdistance ads_E atom_E slab_E str_E#plane_index!Dipole_valdistance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_valdistance ads_E atom_E slab_E str_E y?^cު$@?@ 3h@^cު$@c@OIҵ@Ϡ$@HcC@>'I@n2d"!@x@6 r@Ș!@HcC@N^@n2d"!@@>'I@n2d"!@A+0du@6 r@Ș!@@N^@n2d"!@ ܝ.@Ș!@ 6 r@zS c!@ )Wx@Ș!@9]?n?'K@9]?9z@'K@?OIҵ@Gz@ 1@LH?Gz@ 1@ dF@Gz@ 1@OIҵ@rt@k&l@n?'K@k&l@9z@'K@ՐDz@OIҵ@Gz@PN@W8?cZB>@ǘ@6 r@9@PN@7ُ@cZB>@ۑ@W8?cZB>@VF@6 r@9@ۑ@7ُ@cZB>@ yCn;?9@ 6 r@mn@ 8 @9@ek}?ek}?_@ek}? 1@_@ek}?OIҵ@_@ 1@ek}?_@ 1@ 1@_@ 1@OIҵ@_@OIҵ@ek}?_@OIҵ@ 1@_@OIҵ@OIҵ@_@6 r@ \wT\?6 r@6 r@\wT\?6 r@oG8-x@\wT\?oG8-x@ \wT\?oG8-x@6 r@\wT\?oG8-x@oG8-x@\wT\? \wT\? 6 r@\wT\? oG8-x@\wT\?1@ 1@ 4}=@[{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}]vasp{}h#bKh#= SKwi:Mi:M?8fٓli:Mi:M8fٓl*g\8@? O!WYp *g\8@O!WYp *g\8@?O!WYp ¾DA?i:M?i:M?8fٓli:M?i:M8fٓl*g\8@ O!WYptX?tX?̔[Ob? ȗPatX?tX??̔tXtX?̔[Ob ȗPatXtX??̔ [ObȗPa ({t [Ob?ȗPar&"@r&"@?)hmr&"@r&"@)hmI" :̗`} I"?:̗`} I":̗`} ,amr&"@?r&"@?)hmr&"@?r&"@)hmI"? :̗`}: vQ: vQ?Bl`/"U %