SQLite format 3@ 2 .  ? ^ 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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems210/.-,)('$!       d  d Bm  jEH g #$M3d4c4e1d9eb00d31063a9ecd511758c2$Mee3d7cec96f36cad686cf8632055b3b8$Me8ff6bd3266d1099cbcd2a34a5ee664b$M76030edc9576046407e00bbc92e1fa60$M2cdf2606c85d4e135e685b8fbd2e0838$M75065ae98986e896473dfa102f2478f0$M457f0c6f5eda2f9d228aa86de92aa40c$Md11b650ac078f92599cf59cdbef0d019$M71dd5a7857cd97687727dd42ad913bd5$M62976566c6bc1b122955aa3ded973d6e$Me6b6f886563786c196c164d403e92071$Mced324e233ef61b2fb59f61eed70c680$M2ef8fb7b92674bd12df79be923791c67 $M8e5e94d9d188a6247b0afd2fdb59819e $M7b8489ef1fa339903906cba204dcd080 $M61ab2ef4d540ef7dc190824c89aef4cf $M2ed5c25719401a83c54defcf1a5eb7f8 $M77548839947764a134a816aac3838684$Mf79f773d7b04435a13d0ca855dd17094$Mff99c82f887bf969c32841f323d78039$M94dfc8147efa6b97b81d2a5d590280fc$M5818fefd2d23bc14cfb1d05aaffd9265$M4a904ca65ae029000faaa599f3b22353$M1f444fae6388cdc5057f896e5a5ffb71#M a3e129101ae812c140b0c012552207a8  systems 2Yzqi`XOG>6-% {rjaY2 100 /0.  -0,  +0*  )0(  '0& %0$ #0" !0  0 0 0  0   0   0   0   0  0  0    0    0  0 0 0  0#"& K U~iUD/ m\G3" t _ K : %  w c R = (   z i T ? .    j UK%absorped_posb2J'absorped_atomOIindex(110)H%absorped_posfG'absorped_atomOFindex(110)E%absorped_postD'absorped_atomFCindex(110)B%absorped_posb1A'absorped_atomF@index(110)?%absorped_posb2>'absorped_atomF=index(110)<%absorped_posf;'absorped_atomF:index(110)9%absorped_posh8'absorped_atomN7index(110)6%absorped_post5'absorped_atomN4index(110)3%absorped_posb12'absorped_atomN1index(110)0%absorped_posf/'absorped_atomN.index(110)-%absorped_posb,'absorped_atomC+index(100)*%absorped_post)'absorped_atomC(index(100)'%absorped_posf &'absorped_atomC %index(100) $%absorped_posb #'absorped_atomB "index(100) !%absorped_post  'absorped_atomB index(100) %absorped_posf 'absorped_atomB index(100) %absorped_posb 'absorped_atomO index(100) %absorped_post'absorped_atomOindex(100)%absorped_posf'absorped_atomOindex(100)%absorped_posb'absorped_atomFindex(100)%absorped_post'absorped_atomF index(100) %absorped_posf 'absorped_atomF index(100) %absorped_posb'absorped_atomNindex(100)%absorped_post'absorped_atomNindex(100)% absorped_posf' absorped_atomN index(100) s  version9  d  d Bm  jEH g #$M3d4c4e1d9eb00d31063a9ecd511758c2$Mee3d7cec96f36cad686cf8632055b3b8$Me8ff6bd3266d1099cbcd2a34a5ee664b$M76030edc9576046407e00bbc92e1fa60$M2cdf2606c85d4e135e685b8fbd2e0838$M75065ae98986e896473dfa102f2478f0$M457f0c6f5eda2f9d228aa86de92aa40c$Md11b650ac078f92599cf59cdbef0d019$M71dd5a7857cd97687727dd42ad913bd5$M62976566c6bc1b122955aa3ded973d6e$Me6b6f886563786c196c164d403e92071$Mced324e233ef61b2fb59f61eed70c680$M2ef8fb7b92674bd12df79be923791c67 $M8e5e94d9d188a6247b0afd2fdb59819e $M7b8489ef1fa339903906cba204dcd080 $M61ab2ef4d540ef7dc190824c89aef4cf $M2ed5c25719401a83c54defcf1a5eb7f8 $M77548839947764a134a816aac3838684$Mf79f773d7b04435a13d0ca855dd17094$Mff99c82f887bf969c32841f323d78039$M94dfc8147efa6b97b81d2a5d590280fc$M5818fefd2d23bc14cfb1d05aaffd9265$M4a904ca65ae029000faaa599f3b22353$M1f444fae6388cdc5057f896e5a5ffb71#M a3e129101ae812c140b0c012552207a8 reXK>1$  @5 *JQ< @5 *G3= @5 *D @5 *@2 @5 *= @5 *:? 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Lu?)Xl: Lu?6ʪ?1%?6ʪ1%?x $(~2{?x $(~?2{?5'/2?d?5'/2d?@fg;t=ѭ@fg;?t=ѭW?@N0ǿW@N0ǿ)Xl: Lu?6ʪ1%?)Xl:? Lu?6ʪ?1%?x $(~?2{?5'/2d?x $(~2{?5'/2?d?@fg;?t=ѭW@N0ǿ@fg;t=ѭW?@N0ǿT#V 3?V 3?-\n0¿;ޔ?;ޔ?NT\7˿TTb('ڹ@ޫV&?@ޫV&P\ǿ@ޫV&?@ޫV&?P\ǿ@ޫV&@ޫV&P\ǿ@ޫV&@ޫV&?P\ǿwLݕ]0?wLݕ]0!K?wLݕ]0?wLݕ]0?!K?wLݕ]0wLݕ]0!K?wLݕ]0wLݕ]0?!K?si+Insi+In?˼Uסsi+Insi+In˼Uסsi+In?si+In?˼Uסsi+In?si+In˼UסjjҠ?LG?LG?R7??"{,g{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -191.257, "absorption_energy": -21.619, "layer_distance": 1.842, "delta_charge_bader": 0.647, "dipole_bader": 5.723, "delta_charge_hirf": 0.656, "dipole_hirf": 5.803, "index": "(100)", "absorped_atom": "F", "absorped_pos": "t"}{}1?}c]?GĆL@g"@i ^'M<ur~p>urxM̿Oz1Oz1]1#=??Û5x?3z9?ۊe?3z9??Û5x?ۊe?8WV8WV8 Q? N? N?ZQfs&o?-ur?~p>ur?xM̿E4frE4fr?tBK?VIddYti?x>ƿtiVIddY?x>ƿKe%?Ke%tBK¿ʦ|ʦ|?0^|Քd]?<͌~4?g`eM,<͌~4Քd]g`eM,^+$Κ^+$Κ?Iطc?ʉv?ʉvfh<ǿOqI~įX?g67I~įXOq?g67lZ)rlZ)r?b('E4fr?E4frtBK?VIddY?tix>ƿti?VIddYx>ƿKe%Ke%?tBK¿ʦ|?ʦ|0^|Քd]<͌~4g`eM,<͌~4?Քd]?g`eM,^+$Κ?^+$ΚIطc?ʉvʉv?fh<ǿOq?I~įXg67I~įX?Oqg67lZ)r?lZ)rb('k, P6aW?6aW?Vk]?}p!?ިc^t{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -191.759, "absorption_energy": -22.121, "layer_distance": 1.43, "delta_charge_bader": 0.69, "dipole_bader": 4.743, "delta_charge_hirf": 0.661, "dipole_hirf": 4.541, "index": "(100)", "absorped_atom": "F", "absorped_pos": "b"}{}1?)BO<?Wa6@g"@i `'M<Y1\?0 X?0 X?ުPMIv#070?#070?!U?#070?#070!U?#070#070?!U?#070#070!U?\7v\7v~^\7v\7v?~^\7v?\7v~^\7v?\7v?~^C.lvC.lv-R|C.lvC.lv?-R|C.lv?C.lv-R|C.lv?C.lv?-R|o{Ė x#οo{Ė? x#ο t 腋?xgͿ t 腋xgͿ}:3Py%Zx}:3Py?%Zx<;kG<;k?G'0aX5ÿ'0?aX5ÿE`o`iј?E`o`?iј?o{Ė x#ο t 腋?xgͿo{Ė? x#ο t 腋xgͿ}:3Py%Zx<;kG}:3Py?%Zx<;k?G'0aX5ÿE`o`iј?'0?aX5ÿE`o`?iј?E฿4?4?LjY}?>ۮ/{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -192.145, "absorption_energy": -21.399, "layer_distance": 2.705, "delta_charge_bader": 1.05, "dipole_bader": 13.64, "delta_charge_hirf": 1.406, "dipole_hirf": 18.264, "index": "(100)", "absorped_atom": "O", "absorped_pos": "f"}{}1?)m?4@g"@il _'M<'I @>'I @ @Nё\@Nё\@A@מY@OXe @xN,@OXe @מY@xN,@7d* @7d* @sK!q/@^)?^)?^)?_@_@^)?_@_@.?.?G8-x @7ُ?@e@ ܺ @@e@7ُ? ܺ @a_Y@a_Y@ @Nё\C?Nё\C?A@k]hS?zrK@xN,@zrK@k]hS?xN,@):˿@):˿@sK!q/@^)??_@?^) @^)??^) @_@?~jtH?Ǻ ?%e@~@*@37@ @~R?37@&" @#2@gy@ ?}R?.R\U"@hn?ę_@""@WL @n?""@uT5 @t{Ic@MX"@^)??^)?^) @?_@?_@^) @?Ǻ ?~jtH?%e@~R? @37@*@~@37@#2@&" @gy@}R? ?.R\U"@n?WL @""@ę_@hn?""@t{Ic@uT5 @MX"@"~*@"~*@D$@o@o@ME8@vasp{}h(y^h(y^Lk^?Lk^?⪲?BA)ZsƗ:u<?sƗBA)Z:u<?%xC8?%xC8?B:"@2?E @D/X>"@Nzړ@!7 @D/X>"@Nzړ@E @D/X>"@^) @_@ʉvb%@o@o@ME8@vasp{}g`xg`xM Ot66?M Ot?66?^)Ǫ?4 S?^)Ǫ4 S?HPRW[?w gͿr>s֧r>s֧b;?;뤿z΅ȿ;?;?z΅ȿ;뤿;뤿z΅ȿ;뤿;?z΅ȿIv|Ӭ?Iv|Ӭ[ M?Iv|Ӭ?Iv|Ӭ?[ M?Iv|ӬIv|Ӭ[ M?Iv|ӬIv|Ӭ?[ M?w+KtYw+KtY?;k]hw+KtYw+KtY;k]hw+KtY?w+KtY?;k]hw+KtY?w+KtY;k]h׻[`Ҙ?[`Ҙ?)?1,f{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -190.274, "absorption_energy": -20.784, "layer_distance": 1.835, "delta_charge_bader": 0.039, "dipole_bader": 0.344, "delta_charge_hirf": 0.664, "dipole_hirf": 5.851, "index": "(100)", "absorped_atom": "B", "absorped_pos": "t"}{}1?6OU?`[@g"@ 7Kƨ _ 'M< @ @t^@^)?^)?^)?_@_@^)?_@_@bqm?bqm?-# @}"?"@^)??^)?^) @?_@?_@^) @?9d?$EdXy?b@kHcC?Z! @-l@b(@3@-l@Zd;O@(\ @0[w@M?i?|гY"@Mg'd?Q1߄B @s4"@,σ@k@s4"@If@` @XL>"@"~*@"~*@m#@o@o@ME8@vasp{}gg=bBW?=bBW?2zp?CQO䡿eI)쟧?eI)CQO䡿쟧?ฌ?ฌ?Cl?CX%CX%m2K?A^2+?.+=)s2+?A^.+=)sAvsAvsX?%"d%"dq89@lpdF ^8L㩿dF ^lp8L㩿^_>y^_>yh^`Vʿ=bBW=bBW2zp?CQO?eI)?쟧?eI)?CQO?쟧?ฌฌCl?CX%?CX%?m2K?A^?2+.+=)s2+A^?.+=)sAvs?Avs?X?%"d?%"d?q89@lp?dF ^?8L㩿dF ^?lp?8L㩿^_>y?^_>y?h^`VʿGz?GzFxxҢ?N=jy!?m)Ŀy!N=j?m)ĿM΢wM΢w?G>x¿'ݖg'ݖg?jex¿'ݖg?'ݖgje! v{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -191.672, "absorption_energy": -22.182, "layer_distance": 0.835, "delta_charge_bader": 0.021, "dipole_bader": 0.084, "delta_charge_hirf": 1.15, "dipole_hirf": 4.611, "index": "(100)", "absorped_atom": "B", "absorped_pos": "b"}{}1?~F5s?ۢ@g"@ 7Kƨ ` 'M</delta_charge_hirf?~"=%dipole_bader@+GzH<1delta_charge_bader?;)layer_distance@ =p:/absorption_energy5f$/)9Eabsorption_structural_energyh =q%8=adsorption_atomic_energynP&7?adsorption_surface_energye&+6#dipole_hirf@)lD5/delta_charge_hirf?&x4%dipole_bader@F31delta_charge_bader?zG2)layer_distance?Gz1/absorption_energy6")0Eabsorption_structural_energygI^5?%/=adsorption_atomic_energy"`A&.?adsorption_surface_energye&+-#dipole_hirf@6E,/delta_charge_hirf?E+%dipole_bader@Z1*1delta_charge_bader?9XbN))layer_distance?xF(/absorption_energy5vȴ9X)'Eabsorption_structural_energyg9XbN%&=adsorption_atomic_energy"`A&%?adsorption_surface_energye&+$#dipole_hirf@/w#/delta_charge_hirf?`A7K"%dipole_bader@j~!1delta_charge_bader?`A7 )layer_distance?+/absorption_energy4;dZ)Eabsorption_structural_energygQ%=adsorption_atomic_energy"`A&?adsorption_surface_energye&+#dipole_hirf@vȴ/delta_charge_hirf?\(%dipole_bader@xF1delta_charge_bader?1&x)layer_distance?S/absorption_energy5# =p)Eabsorption_structural_energyh/S%=adsorption_atomic_energyE&?adsorption_surface_energye&+#dipole_hirf@Õ$/delta_charge_hirf? I^5?%dipole_bader@-V1delta_charge_bader?r ě)layer_distance?GzH /absorption_energy3dtj) Eabsorption_structural_energyg\(% =adsorption_atomic_energyE& ?adsorption_surface_energye&+ # dipole_hirf@8stj~/ delta_charge_hirf@1&x% dipole_bader@'`A7K1 delta_charge_bader?dZ1) layer_distance@x/ absorption_energy5:G{(E absorption_structural_energyh2-V$= adsorption_atomic_energyE%? adsorption_surface_energye&+ nOwL,qI  d ;  j I 5 y W ;  a C !  x L + jBx]4 cB'kI- tS5j>\4jOa#dipole_hirf@zG{`/delta_charge_hirf?ffffff_%dipole_bader@=p ^1delta_charge_bader?S])layer_distance?E\/absorption_energy2KƧ)[Eabsorption_structural_energyghr!%Z=adsorption_atomic_energynP&Y?adsorption_surface_energydlX#dipole_hirf@)U$/W/delta_charge_hirf?SV%dipole_bader@#zGU1delta_charge_bader? ěTT)layer_distance@bMS/absorption_energy2]/w)REabsorption_structural_energygVu%Q=adsorption_atomic_energynP&P?adsorption_surface_energydlO#dipole_hirf@TEN/delta_charge_hirf?bMM%dipole_bader@W =pL1delta_charge_bader?bMK)layer_distance?333333J/absorption_energy2}/w)IEabsorption_structural_energyf+%H=adsorption_atomic_energy"`A&G?adsorption_surface_energydlF#dipole_hirf@ $/E/delta_charge_hirf?~"D%dipole_bader@GzC1delta_charge_bader?=p =B)layer_distance?+ JA/absorption_energy2Z1)@Eabsorption_structural_energyfƧ%?=adsorption_atomic_energy"`A&>?adsorption_surface_energydl=#dipole_hirf@8Q</delta_charge_hirf?E;%dipole_bader@ I^5:1delta_charge_bader?M9)layer_distance?O;dZ8/absorption_energy2~")7Eabsorption_structural_energyfn%6=adsorption_atomic_energy"`A&5?adsorption_surface_energydl4#dipole_hirf@ r Ĝ3/delta_charge_hirf?S2%dipole_bader@ hr 11delta_charge_bader?O;dZ0)layer_distance@1&x//absorption_energy1e).Eabsorption_structural_energyf-%-=adsorption_atomic_energy"`A&,?adsorption_surface_energydl+#dipole_hirf@3 */delta_charge_hirf@zG)%dipole_bader@%hr (1delta_charge_bader?Ƨ-')layer_distance?$/&/absorption_energy1x)%Eabsorption_structural_energyg"ȴ9X%$=adsorption_atomic_energyE&#?adsorption_surface_energydl"#dipole_hirf@2-V!/delta_charge_hirf?+ %dipole_bader@!o1delta_charge_bader?-V)layer_distance?x/absorption_energy/t)Eabsorption_structural_energyf I^%=adsorption_atomic_energyE&?adsorption_surface_energydl#dipole_hirf@*k I^/delta_charge_hirf?nO%dipole_bader@;dZ1delta_charge_bader?Q)layer_distance?-/absorption_energy2M)Eabsorption_structural_energyg=R%=adsorption_atomic_energyE&?adsorption_surface_energydl#dipole_hirf/delta_charge_hirf@ =p %dipole_bader@%=E 1delta_charge_bader?-V )layer_distance?hr  /absorption_energy1lD) Eabsorption_structural_energyg"G{% =adsorption_atomic_energyE&?adsorption_surface_energydl#dipole_hirf@bM/delta_charge_hirf?C%%dipole_bader@vȴ9X1delta_charge_bader?A7Kƨ)layer_distance?E/absorption_energy6)Eabsorption_structural_energyh Z1%=adsorption_atomic_energyE&?adsorption_surface_energye&+~#dipole_hirf@-}/delta_charge_hirf?XbM|%dipole_bader@ + J{1delta_charge_bader? =pz)layer_distance? =py/absorption_energy4zG)xEabsorption_structural_energygO;dZ%w=adsorption_atomic_energyE&v?adsorption_surface_energye&+u#dipole_hirf@@~" t/delta_charge_hirf@ M ^'M<>tA@^)? i@.Q5@_@Uj@+@^)??_@?^) @^)??^) @_@?^)?mIF@_@ h"@^) @^)? h"@^) @_@&S@^)?uT5A4"@_@Q("@^) @^)?Q("@^) @_@E*-!@^)??^)?^) @?_@?_@^) @?/L ?㥛 ?_vO@/L ?fj @_vO@:H@㥛 ?_vO@:H@fj @_vO@R2? {,}@bۢI"@R2?ea @bۢI"@#bJ@ {,}@bۢI"@#bJ@ea @bۢI"@^) @_@)%@o@o@ME8@vasp{}gQ67RgQ67R On&1? On?&1?#+ ƨ?Uܸ?#+ ƨUܸ?$rjt$r?jt i?SYvQ? i젿SYvQ?'RxФ'?RxФ= NP?J yſ= NPJ yſ On?&1?#+ ƨUܸ? On&1?#+ ƨ?Uܸ?$r?jt i젿SYvQ?$rjt i?SYvQ?'?RxФ= NPJ yſ'RxФ= NP?J yſy75| 5| uubTG'¿|\|\MD?~8HϿ9B9BW"PHC=Х?C=Х3ٲ|ǿC=Х?C=Х?3ٲ|ǿC=ХC=Х3ٲ|ǿC=ХC=Х?3ٲ|ǿRE*?RE*i{?RE*?RE*?i{?RE*RE*i{?RE*RE*?i{? Ln? LnՐҧ Ln? Ln?Րҧ Ln LnՐҧ Ln Ln?Րҧx{%Q?Q?Ĝ?>! v{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -191.291, "absorption_energy": -20.83, "layer_distance": 1.74, "delta_charge_bader": 0.435, "dipole_bader": 3.636, "delta_charge_hirf": 0.917, "dipole_hirf": 7.664, "index": "(100)", "absorped_atom": "C", "absorped_pos": "t"}{}1? ?Q@g"@p ě b{dS=-#v^L5$ ~ j R @ )  r ^ F 4   } f R : (  q Z F .   e N : " {YB.oM6" cA*uW5 cD! ~kK, zfS3nb &index%#dipole_hirf$/delta_charge_hirf#%dipole_bader"1delta_charge_bader!)layer_distance /absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy%absorped_pos 'absorped_atom index #dipole_hirf /delta_charge_hirf %dipole_bader 1delta_charge_bader )layer_distance /absorption_energy Eabsorption_structural_energy =adsorption_atomic_energy ?adsorption_surface_energy %absorped_pos 'absorped_atom index  #dipole_hirf  /delta_charge_hirf  %dipole_bader  1delta_charge_bader  )layer_distance /absorption_energy Eabsorption_structural_energy =adsorption_atomic_energy ?adsorption_surface_energy %absorped_pos 'absorped_atom index #dipole_hirf /delta_charge_hirf %dipole_bader ~1delta_charge_bader })layer_distance |/absorption_energy {Eabsorption_structural_energy z=adsorption_atomic_energy y?adsorption_surface_energy x%absorped_pos w'absorped_atom vindex u#dipole_hirf t/delta_charge_hirf s%dipole_bader r1delta_charge_bader q)layer_distance p/absorption_energy oEabsorption_structural_energy n=adsorption_atomic_energy m?adsorption_surface_energy l%absorped_pos k'absorped_atom jindex i#dipole_hirf h/delta_charge_hirf g%dipole_bader f1delta_charge_bader e)layer_distance d/absorption_energy cEabsorption_structural_energy b=adsorption_atomic_energy a?adsorption_surface_energy `%absorped_pos_'absorped_atom ^index]#dipole_hirf\/delta_charge_hirf[%dipole_baderZ1delta_charge_baderY)layer_distanceX/absorption_energy WEabsorption_structural_energyV=adsorption_atomic_energyU?adsorption_surface_energyT%absorped_posS'absorped_atom RindexQ#dipole_hirfP/delta_charge_hirfO%dipole_baderN1delta_charge_baderM)layer_distanceL/absorption_energy KEabsorption_structural_energyJ=adsorption_atomic_energyI?adsorption_surface_energyH%absorped_posG'absorped_atom FindexE#dipole_hirfD/delta_charge_hirfC%dipole_baderB1delta_charge_baderA)layer_distance@/absorption_energy ?Eabsorption_structural_energy>=adsorption_atomic_energy=?adsorption_surface_energy<%absorped_pos;'absorped_atom :index9#dipole_hirf8/delta_charge_hirf7%dipole_bader61delta_charge_bader5)layer_distance4/absorption_energy 3Eabsorption_structural_energy2=adsorption_atomic_energy1?adsorption_surface_energy0%absorped_pos/'absorped_atom .index-#dipole_hirf,/delta_charge_hirf+%dipole_bader*1delta_charge_bader))layer_distance(/absorption_energy 'Eabsorption_structural_energy&=adsorption_atomic_energy%?adsorption_surface_energy$%absorped_pos#'absorped_atom "index!#dipole_hirf /delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy%absorped_pos'absorped_atom index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy ?adsorption_surface_energy % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy w_J1_G2 j G /   q R /   y Y :  t a A " | p \ I ) vdXD1v^L@,q^F4(rYF.oZA.,%absorped_pos+'absorped_atom *index)#dipole_hirf(/delta_charge_hirf'%dipole_bader&1delta_charge_bader%)layer_distance$/absorption_energy #Eabsorption_structural_energy"=adsorption_atomic_energy!?adsorption_surface_energy %absorped_pos'absorped_atom index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy%absorped_pos'absorped_atom index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader )layer_distance /absorption_energy Eabsorption_structural_energy =adsorption_atomic_energy ?adsorption_surface_energy%absorped_pos'absorped_atom index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy~=adsorption_atomic_energy}?adsorption_surface_energy|%absorped_pos{'absorped_atom zindexy#dipole_hirfx/delta_charge_hirfw%dipole_baderv1delta_charge_baderu)layer_distancet/absorption_energy sEabsorption_structural_energyr=adsorption_atomic_energyq?adsorption_surface_energyp%absorped_poso'absorped_atom nindexm#dipole_hirfl/delta_charge_hirfk%dipole_baderj1delta_charge_baderi)layer_distanceh/absorption_energy gEabsorption_structural_energyf=adsorption_atomic_energye?adsorption_surface_energyd%absorped_posc'absorped_atom bindexa#dipole_hirf`/delta_charge_hirf_%dipole_bader^1delta_charge_bader])layer_distance\/absorption_energy [Eabsorption_structural_energyZ=adsorption_atomic_energyY?adsorption_surface_energyX%absorped_posW'absorped_atom VindexU#dipole_hirfT/delta_charge_hirfS%dipole_baderR1delta_charge_baderQ)layer_distanceP/absorption_energy OEabsorption_structural_energyN=adsorption_atomic_energyM?adsorption_surface_energyL%absorped_posK'absorped_atom JindexI#dipole_hirfH/delta_charge_hirfG%dipole_baderF1delta_charge_baderE)layer_distanceD/absorption_energy CEabsorption_structural_energyB=adsorption_atomic_energyA?adsorption_surface_energy@%absorped_pos?'absorped_atom >index=#dipole_hirf</delta_charge_hirf;%dipole_bader:1delta_charge_bader9)layer_distance8/absorption_energy 7Eabsorption_structural_energy6=adsorption_atomic_energy5?adsorption_surface_energy4%absorped_pos3'absorped_atom 2index1#dipole_hirf0/delta_charge_hirf/%dipole_bader.1delta_charge_bader-)layer_distance,/absorption_energy +Eabsorption_structural_energy*=adsorption_atomic_energy)?adsorption_surface_energy(%absorped_pos''absorped_atom _'M< @ZB> @&Nw( @?m@?m@9v@"?&lsc @Fx $@&lsc @"?Fx $@J5o6 @J5o6 @KE@^)?^)?^)?_@_@^)?_@_@eS.?eS.?'1 @Ciq ?Yn@ƿϸp @Yn@Ciq ?ƿϸp @+ @+ @&Nw( @VCb?VCb?9v@%ǝ?9@Fx $@9@%ǝ?Fx $@}\*ƹ@}\*ƹ@KE@^)??_@?^) @^)??^) @_@?r_s?ek?@ vö@g~5@/@u @=?/@T[ @Tg@/@?=$@?D"@^hH @ؙB@j+'"@σv @u&?j+'"@bod @~nx@FžvH"@^)??^)?^) @?_@?_@^) @?ek?r_s?@=?u @/@g~5@ vö@/@Tg@T[ @/@=$@??D"@u&?σv @j+'"@ؙB@^hH @j+'"@~nx@bod @FžvH"@"~*@"~*@}k,$@o@o@ME8@vasp{}h Z Nh Z Nh?RDU?h?RDU?ң?DkE㜿|Bvfyt?|BvfDkE㜿yt?ᱟ?ᱟ?V?EE÷n;ӽNҮRFf/NRFӽNҮf/N LnX? LnX?F!ɬ? % %{&3ޮg'ՉJ`s JPBJ`s g'ՉJPB$`SQ$`SQp0̿h?RDUh?RDUң?DkE?|Bvf?yt?|Bvf?DkE?yt?ᱟᱟV?E?E?÷n;ӽNҮ?RF?f/NRF?ӽNҮ?f/N LnX LnXF!ɬ? %? %?{&3ޮg'Չ?J`s ?JPBJ`s ?g'Չ?JPB$`SQ?$`SQ?p0̿Hu?HuձJ^?vkFY.?]ſY.󓿟vkF?]ſ|?q|?q?#SRR?>DfVDׅ_ \?@d&ޑ? \VDׅ_?@d&ޑ?CgǜCgǜ?U2Tqf?S[?S[/h¿pzl;m?P,cyl;mpz?P,cy7ܘ?7ܘzHuHu?ձJ^?vkF?Y.]ſY.?vkF]ſ|?q?|?q#SR?R>DfVDׅ_? \@d&ޑ? \?VDׅ_@d&ޑ?Cgǜ?CgǜU2Tqf?S[S[?/h¿pz?l;mP,cyl;m?pzP,cy7ܘ7ܘ?zggsZ?gsZ?hr$? 4/b?>hPVY{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -193.011, "absorption_energy": -22.55, "layer_distance": 0.946, "delta_charge_bader": 0.508, "dipole_bader": 2.308, "delta_charge_hirf": 1.159, "dipole_hirf": 5.266, "index": "(100)", "absorped_atom": "C", "absorped_pos": "b"}{}1?y"3d?Zsg@g"@p ě b            \ht}}}} } } } } znb&&&& & & & y(4==== = = = >JV____ _ _ _ 0.. . . . . ...., $$ $ $ $ $ $$$$! || | | | | |||||rfZ/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy 'absorped_atom%absorped_pos'absorped_atom/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy%absorped_pos/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy 'absorped_atom%absorped_pos'absorped_atom/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy%absorped_pos/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy 'absorped_atom%absorped_pos'absorped_atom/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy%absorped_pos/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy! 'absorped_atom%absorped_pos'absorped_atom/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy%absorped_pos/absorption_energy| Eabsorption_structural_energy{=adsorption_atomic_energyz 'absorped_atom%absorped_posx'absorped_atomw/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy%absorped_pos/absorption_energyp Eabsorption_structural_energyo=adsorption_atomic_energyn 'absorped_atom%absorped_posl'absorped_atomk/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy%absorped_pos/absorption_energyd Eabsorption_structural_energyc=adsorption_atomic_energyb 'absorped_atom%absorped_pos`'absorped_atom_/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy%absorped_pos/absorption_energyX Eabsorption_structural_energyW=adsorption_atomic_energyV 'absorped_atom%absorped_posT'absorped_atomS /absorption_energy !Eabsorption_structural_energy =adsorption_atomic_energy %absorped_pos/absorption_energyL Eabsorption_structural_energyK=adsorption_atomic_energyJ 'absorped_atom%absorped_posH'absorped_atomG /absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy%absorped_pos/absorption_energy@ Eabsorption_structural_energy?=adsorption_atomic_energy> 'absorped_atom%absorped_pos<'absorped_atom; /absorption_energy$!Eabsorption_structural_energy#=adsorption_atomic_energy"%absorped_pos /absorption_energy4 Eabsorption_structural_energy3=adsorption_atomic_energy2 $ 'absorped_atom+%absorped_pos0'absorped_atom/ $Y%absorped_pos,/absorption_energy( Eabsorption_structural_energy'=adsorption_atomic_energy&?adsorption_surface_energy%%absorped_pos$'absorped_atom#$k/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy%absorped_pos'absorped_atom$k/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy %absorped_pos 'absorped_atom k/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy jL-Q1aAt]F/ %uU5 u _ I 3   j SlL, | B 1  t bcC# R B 2 "   ~{[;k t j ` V L B 8 . $    pP0` | i V C 0  =mM- index*#dipole_hirf)/delta_charge_hirf(%dipole_bader'1delta_charge_bader&)layer_distance%?adsorption_surface_energy! index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance ?adsorption_surface_energy index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy index#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance})layer_distanceq)layer_distancee)layer_distanceY)layer_distanceM)layer_distanceA)layer_distance5)layer_distance))layer_distance)layer_distance)layer_distance index index index index indexv indexj index^ indexR indexF index: index. index" index index #dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirfu#dipole_hirfi#dipole_hirf]#dipole_hirfQ#dipole_hirfE#dipole_hirf9#dipole_hirf-#dipole_hirf!#dipole_hirf#dipole_hirf %dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_baders%dipole_baderg%dipole_bader[%dipole_baderO%dipole_baderC%dipole_bader7%dipole_bader+%dipole_bader%dipole_bader%dipole_bader/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirft/delta_charge_hirfh/delta_charge_hirf\/delta_charge_hirfP/delta_charge_hirfD/delta_charge_hirf8/delta_charge_hirf,/delta_charge_hirf /delta_charge_hirf/delta_charge_hirf1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader~1delta_charge_baderr1delta_charge_baderf1delta_charge_baderZ1delta_charge_baderN1delta_charge_baderB1delta_charge_bader61delta_charge_bader*1delta_charge_bader1delta_charge_bader1delta_charge_bader?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energyy?adsorption_surface_energym?adsorption_surface_energya?adsorption_surface_energyU?adsorption_surface_energyI?adsorption_surface_energy= _'M<? ?dA%2SZKv|H?:y 5ۿkC8$t(*U-夿!6X8?/K;5?ǚ?  Ri?0?;mL.v?((={"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -185.09, "absorption_energy": -17.664, "layer_distance": 1.973, "delta_charge_bader": 1.121, "dipole_bader": 10.621, "delta_charge_hirf": 2.005, "dipole_hirf": 19.0, "index": "(110)", "absorped_atom": "N", "absorped_pos": "f"}{}1?~/Hh?i@@nzH b'M<uTrb(?jZ콋?}C{?.enO{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -185.935, "absorption_energy": -18.509, "layer_distance": 1.416, "delta_charge_bader": 0.985, "dipole_bader": 6.703, "delta_charge_hirf": 1.942, "dipole_hirf": 13.209, "index": "(110)", "absorped_atom": "N", "absorped_pos": "b1"}{}1?V%҂?(brT@@nzH `'M<?P@!Tك@^) @([Z?^) @"A@D@^) @UwE@_@!vy?a4@֐@';@-!l@eS?j';@_@Nz1@4@ڧ?$~@ q@m@J{/L@^) @!vy@([Z?^) @@^) @e18@C8@ŏ1w@([Z?F@q $ @ŏ1w@2r@^)?bհ@l[?ep:!@$~@ET?7',@J{/L@^)?@z!@JY?AC@';@x?dX!@j';@4@([Z?ŏ1w@0Bx@QC@!Tك@^) @ŏ1w@([Z?^) @0Bx@D@^) @ŏ1w@O`@_@bհ@4@ep:!@$~@ q@7',@J{/L@_@@z!@a4@AC@';@-!l@dX!@j';@^) @4@([Z?^) @ŏ1w@n4@B@^) @׆q~@C8@^) @ŏ1w@!@o@q?w$@,. 6l5@vasp{}f/f/{נ/ѿ!w(?f*#Nj?. w?~NA~6?/3l?Z(|t&m?"&P- Ӿi%ο@T?wN#-?m6 B\? ]@?b{˱t>k  L y-ZT  5 b Cp .[  < iJw|  0 ] >k6Z/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy=adsorption_atomic_energy/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energyY !Eabsorption_structural_energy=adsorption_atomic_energy/absorption_energy!Eabsorption_structural_energy/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy/absorption_energy/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy/absorption_energy/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy, /absorption_energy=adsorption_atomic_energy!Eabsorption_structural_energy=adsorption_atomic_energy/absorption_energyy Eabsorption_structural_energyx=adsorption_atomic_energyw/absorption_energy!Eabsorption_structural_energy=adsorption_atomic_energy!Eabsorption_structural_energy/absorption_energyp Eabsorption_structural_energyo=adsorption_atomic_energyn?adsorption_surface_energyma/absorption_energyg Eabsorption_structural_energyf=adsorption_atomic_energye?adsorption_surface_energyda/absorption_energy^ Eabsorption_structural_energy]=adsorption_atomic_energy\?adsorption_surface_energy[a/absorption_energyU Eabsorption_structural_energyT=adsorption_atomic_energyS?adsorption_surface_energyR ia/absorption_energyL Eabsorption_structural_energyK=adsorption_atomic_energyJ?adsorption_surface_energyI <a/absorption_energyC Eabsorption_structural_energyB=adsorption_atomic_energyA?adsorption_surface_energy@ a/absorption_energy: Eabsorption_structural_energy9=adsorption_atomic_energy8?adsorption_surface_energy7 a/absorption_energy1 Eabsorption_structural_energy0=adsorption_atomic_energy/?adsorption_surface_energy. a/absorption_energy( Eabsorption_structural_energy'=adsorption_atomic_energy&?adsorption_surface_energy% a/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy[a/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy.a/absorption_energy Eabsorption_structural_energy =adsorption_atomic_energy ?adsorption_surface_energy a/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy vlbnW@)qZC+ TJ@6 u _ I 3   j+! Y H 7 &   | j X FB8.$ 6 &   v f U D 3 u b O < )  lbXN#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy#dipole_hirf/delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance?adsorption_surface_energy#dipole_hirf/delta_charge_hirf%dipole_bader)layer_distance)layer_distance)layer_distance)layer_distance)layer_distancez)layer_distanceq)layer_distanceh)layer_distance_)layer_distanceV)layer_distanceM)layer_distanceD)layer_distance;)layer_distance2)layer_distance))layer_distance )layer_distance)layer_distance)layer_distance#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf~#dipole_hirfu#dipole_hirfl#dipole_hirfc#dipole_hirfZ#dipole_hirfQ#dipole_hirfH#dipole_hirf?#dipole_hirf6#dipole_hirf-#dipole_hirf$#dipole_hirf#dipole_hirf#dipole_hirf %dipole_bader%dipole_bader%dipole_bader%dipole_bader|%dipole_baders%dipole_baderj%dipole_badera%dipole_baderX%dipole_baderO%dipole_baderF%dipole_bader=%dipole_bader4%dipole_bader+%dipole_bader"%dipole_bader%dipole_bader%dipole_bader/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf}/delta_charge_hirft/delta_charge_hirfk/delta_charge_hirfb/delta_charge_hirfY/delta_charge_hirfP/delta_charge_hirfG/delta_charge_hirf>/delta_charge_hirf5/delta_charge_hirf,/delta_charge_hirf#/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader{1delta_charge_baderr1delta_charge_baderi1delta_charge_bader`1delta_charge_baderW1delta_charge_baderN1delta_charge_baderE1delta_charge_bader<1delta_charge_bader31delta_charge_bader*1delta_charge_bader!1delta_charge_bader1delta_charge_bader1delta_charge_bader?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy a'M< Y@L2r?5oy@XOp@!vy@([Z?x@?@e$@2ZGU@镲 @0@YO0^@^) @([Z?V`Ȫ @ Tƿ@@H0@D4 @c=y$@@߾\@_@!vy?Q@=yX@.R\Uv@fN@!vy?Ɏ@@_@Nz1@_$\@!vy?'IL@,Ԛ@Yni5$.@1%2@^) @!vy@([Z?V`Ȫ @d$@@H0@D4 @q@@߾\@ŏ1w@([Z?-i&?c]F@(,@%;6@@E@^)?bհ@X?S:"@ h"lx@I?bհ@ޓZs@^)?@z!@->x?bհ@ 3mʊ@L2r??m9̗?'֩?t|8c3?)%? / r\qqTnf?;g,{2YİØd`TR?bBW"p?7T7?U+S?5WtTkaC8`:۠ o_ڿo.2?@4i?S iTSVӕ?뉮 >?mA?ٱ?[Cڿ@d&ޑ Z+|8t̉T~ ?fܶ]/MAS4?4`K2ys?^_ѝ?ςP\?}:?rQ-"+3<֌$?'b W?Q}>ʘ?eo)狽W?Un;A?ٱ[Cڿ@d&ޑ Z+|?8t̉T~ fܶ(o?dzziۿϷKu?pz?pYqm秿%"ܬ:#J{/?En1?jL?t|8c3?)%凿 / r[u?h󶿮g,{2YİØ?d`TR?pG?+Pô?U+S?5Wt?Tka(o?dz?ziۿϷKu?pzpYqm秿%"ܬ?:#J{/?0עh[T:ƥTn.ڿyxeP@֓?801}!8.?xWA t ?mUYFD?4`K2ys^_ѝ?%nlfܺrQ-"+3<֌?$?j+sR{mDŽ?eo)狽W?U?n;0עh[T:ƥ?Tn.ڿyxeP@֓801}!8.?x?WA t ?^hW[ɎEȕ?ˎ?cv?Ӌw!?$6{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -185.087, "absorption_energy": -17.662, "layer_distance": 1.974, "delta_charge_bader": 1.111, "dipole_bader": 10.534, "delta_charge_hirf": 2.01, "dipole_hirf": 19.054, "index": "(110)", "absorped_atom": "N", "absorped_pos": "h"}{}1?٦-?E@@nzH `'M<"Dr?iV@^)?!vy?^)?u@D@^)?!vy?a@^)?Nz1@^)?!vy?HP@^)?Mb@!'>@!vy@([Z?r)?Gɫs$@8gDi@"Dr?iV@_@!vy?_@QOI@\m~@_@!vy?$@_@Nz1@_@!vy?Y@_@6@ 1z@^) @!vy@([Z?bJ$ @Gɫs$@8gDi@`q8+ @W}W@iV@ŏ1w@([Z?%jj?~n@Y@@ރ@s{@^)?bհ@^)??m!@D@^)?bհ@ʉvR@^)?@z!@^)?bհ@'X@^)?%!@!'>@4@([Z?%jj?_FҊ@Y@@ Ac@s{@^) @ŏ1w@([Z?R\U @~n@Y@ % @ރ@s{@_@bհ@_@!A!@\m~@_@bհ@q]@_@@z!@_@bհ@nS@_@DQO "@ 1z@^) @4@([Z?R\U @_FҊ@Y@ % @ Ac@s{@_@bհ@r]@o@q?w$@,. 6l5@vasp{}ffBD? w?~ۿ8ߡ(?XO0~l\ό?~֤ ܺUo?Rg?i{w?1A ºx( <=~o?Oc*ڿӾz܇5"KC}?9+&|??C`?c[;?W]x"y?p&{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -182.123, "absorption_energy": -17.397, "layer_distance": 2.379, "delta_charge_bader": 0.736, "dipole_bader": 8.409, "delta_charge_hirf": 0.729, "dipole_hirf": 8.329, "index": "(110)", "absorped_atom": "F", "absorped_pos": "f"}{}1?pE?`@@i a'M<?F|'f@*@!vy@([Z?=U$@ ui@~jt@"-R@^) @([Z?^) @ v@^.;1@^) @=\r)?{L@_@!vy?fffff@Vy@N@ؙB@!vy?ǘ@_@Nz1@Zd;@!vy?|@7[ @F|'f@*@^) @!vy@([Z?^) @x s?^.;1@^) @4Op@{L@ŏ1w@([Z? 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