SQLite format 3@ 5N5.  ? ^ 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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems-N~ytoje`[VQLGB=83.)$M-L,J+I*G)F(E'C&B%@$?#>"=!< ;:8653210/.-,)('$!      . [  a [  d B m ^   j  EH <  g ? 9 #$M2262a8a67aeb33e8e5aa8caa5882ecde.$Mec4051423905e4d703daf276273baaf6-$Md81a5be9ee2038f5df2a2539392d42c4,$Mf5e65b6df5efaa4dfdb9f7b5b8397d6f+$Mcaa0727757d17959805308edc0b72536*$M8216d2cba17533f871731eea10c9c807)$Me78bb198d854fb2eadfe65d55676f5bf($M6f2e1c75aa69f56ee95fa85d118b9f8e'$M1a0341bbfa95f6803efdda35a25ae31c&$M789cd2bb07134854b05e51cb80c4ae6d%$M6a0fbf3dc366a53c5db1c81b48d97541$$M575690b98617703014247ab84bbdb6f5#$M8d2ddc42663b1990502f4f650f7936b2"$Mb11742114889f4974f2892fa129c1123!$M209d581b306050e75f52d96c32f899b0 $M8707ecf779b2ba0adb25577df06b4398$M6cb4772748f8b9124d54587ebfd4b2f6$Mbfe8b97199b2f0e0dde9d021564bd2fc$M409c6c2b44102985658a05115a81fff0$Mb4fdfe243b04386d91d537d2fef97936$Md2627b925e39b81c398721194b8800ec$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. \ zqi`XOG>6-% {rjaYPH?7.&  | s k b Z Q I @ 8 / '    \ .[0.Z -Y0-X ,W0,V +U0+T *S0*R )Q0)P  (O0(N  'M0'L  &K0&J %I0%H $G0$F #E0#D "C0"B !A0!@  ?0 > =0< ;0: 908 706 504 302 100 /0.  -0,  +0*  )0(  '0& %0$ #0" !0  0 0 0  0   0   0   0   0  0  0    0    0  0 0 0  0H7g#F"& z~iUD/ m\G3" t _ K : %  w c R = (   z i T ? .    j U D /  l [ F 1 q\G6! q\K6!q`J4" z %absorped_posh1. 'absorped_atomC.index(111).%absorped_posh2-'absorped_atomC-index(111)-%absorped_posh1,'absorped_atomB,index(111),%absorped_posh2+'absorped_atomB+index(111)+~%absorped_posh1*}'absorped_atomO*|index(111)*{%absorped_posh2)z'absorped_atomO)yindex(111))x%absorped_post(w'absorped_atomF(vindex(111)(u%absorped_posh1't'absorped_atomF'sindex(111)'r%absorped_posh2&q'absorped_atomF&pindex(111)&o%absorped_posh1%n'absorped_atomN%mindex(111)%l%absorped_posh2$k'absorped_atomN$jindex(111)$i%absorped_post#h'absorped_atomC#gindex(110)#f%absorped_posb1"e'absorped_atomC"dindex(110)"c%absorped_posf!b'absorped_atomC!aindex(110)!`%absorped_post _'absorped_atomB ^index(110) ]%absorped_posb1\'absorped_atomB[index(110)Z%absorped_posb2Y'absorped_atomBXindex(110)W%absorped_posfV'absorped_atomBUindex(110)T%absorped_poshS'absorped_atomORindex(110)Q%absorped_postP'absorped_atomOOindex(110)N%absorped_posb1M'absorped_atomOLindex(110)K%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)D4S cs  version9 . [  a [  d B m ^   j  EH <  g ? 9 #$M2262a8a67aeb33e8e5aa8caa5882ecde.$Mec4051423905e4d703daf276273baaf6-$Md81a5be9ee2038f5df2a2539392d42c4,$Mf5e65b6df5efaa4dfdb9f7b5b8397d6f+$Mcaa0727757d17959805308edc0b72536*$M8216d2cba17533f871731eea10c9c807)$Me78bb198d854fb2eadfe65d55676f5bf($M6f2e1c75aa69f56ee95fa85d118b9f8e'$M1a0341bbfa95f6803efdda35a25ae31c&$M789cd2bb07134854b05e51cb80c4ae6d%$M6a0fbf3dc366a53c5db1c81b48d97541$$M575690b98617703014247ab84bbdb6f5#$M8d2ddc42663b1990502f4f650f7936b2"$Mb11742114889f4974f2892fa129c1123!$M209d581b306050e75f52d96c32f899b0 $M8707ecf779b2ba0adb25577df06b4398$M6cb4772748f8b9124d54587ebfd4b2f6$Mbfe8b97199b2f0e0dde9d021564bd2fc$M409c6c2b44102985658a05115a81fff0$Mb4fdfe243b04386d91d537d2fef97936$Md2627b925e39b81c398721194b8800ec$M3d4c4e1d9eb00d31063a9ecd511758c2$Mee3d7cec96f36cad686cf8632055b3b8$Me8ff6bd3266d1099cbcd2a34a5ee664b$M76030edc9576046407e00bbc92e1fa60$M2cdf2606c85d4e135e685b8fbd2e0838$M75065ae98986e896473dfa102f2478f0$M457f0c6f5eda2f9d228aa86de92aa40c$Md11b650ac078f92599cf59cdbef0d019$M71dd5a7857cd97687727dd42ad913bd5$M62976566c6bc1b122955aa3ded973d6e$Me6b6f886563786c196c164d403e92071$Mced324e233ef61b2fb59f61eed70c680$M2ef8fb7b92674bd12df79be923791c67 $M8e5e94d9d188a6247b0afd2fdb59819e $M7b8489ef1fa339903906cba204dcd080 $M61ab2ef4d540ef7dc190824c89aef4cf $M2ed5c25719401a83c54defcf1a5eb7f8 $M77548839947764a134a816aac3838684$Mf79f773d7b04435a13d0ca855dd17094$Mff99c82f887bf969c32841f323d78039$M94dfc8147efa6b97b81d2a5d590280fc$M5818fefd2d23bc14cfb1d05aaffd9265$M4a904ca65ae029000faaa599f3b22353$M1f444fae6388cdc5057f896e5a5ffb71#M a3e129101ae812c140b0c012552207a8 . reXK>1$ {naTG:-  @5 *U|. @5 *- @5 *a, @5 *C+ @5 ** @5 *Q) @5 *~( @5 *z' @5 *w& @5 *s~+% @5 *o$ @5 *j# @5 *g^'" @5 *d! @5 *`7 @5 *]} @5 *Zi @5 *Wi @5 *Sџ @5 *Ps @5 *MW @5 *JQ< @5 *G3= @5 *D @5 *@2 @5 *= @5 *:? @5 *72 @5 *4f @5 *0\ @5 *+ @5 *(à @5 *% @5 *"[ @5 * bE @5 *H @5 * @5 *'L @5 * @5 *, @5 *kI @5 * o5 @5 *  @5 *0 @5 *   @5 *t .czqh_VMD;2) ~ulchecc.hecc-hecc,hecc+hecc*hecc)hecc(hecc'hecc&hecc%hecc$hecc#hecc"hecc!hecc hecchecchecchecchecchecchecchecchecchecchecchecchecchecchecchecchecchecchecc hecc hecc hecc hecc hecchecchecchecchecchecchecc hecc .czqh_VMD;2) ~ulcvasp.vasp-vasp,vasp+vasp*vasp)vasp(vasp'vasp&vasp%vasp$vasp#vasp"vasp!vasp vaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvasp vasp vasp vasp vasp vaspvaspvaspvaspvaspvaspvasp vasp \ }q eYMui] A5)QE 9-!wk_SG;/# {ocWK?3' \[ZYXWVUTSRQ PO NM LKJIHGFEDCBA@?>=<;:9876543210/ .- ,+ *) ('&%$#"!        K9#dipole_hirf&1delta_charge_baderB%!Eabsorption_structural_energy ^1}P# o B  a 4  S & r E  d 7 R"zM l? ^ 1  } P # o B  a 4  S &p@pCb5 T ' s F  e 8 W * v I e5%absorped_pos'absorped_atom index%absorped_pos'absorped_atom index%absorped_pos'absorped_atom index%absorped_pos'absorped_atom index%absorped_pos~'absorped_atom} index|%absorped_pos{'absorped_atomz indexy%absorped_posx'absorped_atomw indexv%absorped_posu'absorped_atomt indexs%absorped_posr'absorped_atomq indexp%absorped_poso'absorped_atomn indexm%absorped_posl'absorped_atomk indexj%absorped_posi'absorped_atomh indexg%absorped_posf'absorped_atome indexd%absorped_posc'absorped_atomb indexa%absorped_pos`'absorped_atom_ index^%absorped_pos]'absorped_atom\ index[%absorped_posZ'absorped_atomY indexX%absorped_posW'absorped_atomV indexU%absorped_posT'absorped_atomS indexR%absorped_posQ'absorped_atomP indexO%absorped_posN'absorped_atomM indexL%absorped_posK'absorped_atomJ indexI%absorped_posH'absorped_atomG indexF%absorped_posE'absorped_atomD indexC%absorped_posB'absorped_atomA index@%absorped_pos?'absorped_atom> index=%absorped_pos<'absorped_atom; index:%absorped_pos9'absorped_atom8 index7%absorped_pos6'absorped_atom5 index4%absorped_pos3'absorped_atom2 index1%absorped_pos0'absorped_atom/ index.%absorped_pos-'absorped_atom, index+%absorped_pos*'absorped_atom) index(%absorped_pos''absorped_atom& index%%absorped_pos$'absorped_atom# index"%absorped_pos!'absorped_atom index%absorped_pos'absorped_atom index%absorped_pos'absorped_atom index%absorped_pos'absorped_atom index%absorped_pos'absorped_atom index%absorped_pos'absorped_atom index%absorped_pos'absorped_atom index %absorped_pos 'absorped_atom index %absorped_pos 'absorped_atom index%absorped_pos'absorped_atom index%absorped_pos'absorped_atom indexA+/delta_charge_hirf*=adsorption_atomic_energy a'M<B͐*?wLݕ]0?ٕz?ٕz?v?8aA ?8h?8h?p'v3&c`m?3&c`m?χg 2?3&c`m?3&c`mχg 2?3&c`m3&c`m?χg 2?3&c`m3&c`mχg 2? I'b I'b"~? I'b I'b?"~? I'b? I'b"~? I'b? I'b?"~?m3a?m3a?(F̱m3a?m3a(F̱m3am3a?(F̱m3am3a(F̱Pc*㟿MK̿Pc*?MK̿H]{b.̿H]{?b.̿ltOq9b->V¿Mt"?Mt"sƿMt"?Mt"?sƿMt"Mt"sƿMt"Mt"?sƿ=}?=}󧿙sIvS?=}?=}?sIvS?=}=}󧿙sIvS?=}=}?sIvS?£#?£#⃿UY£#?£#?UY£#⃿£#⃿UY£#⃿£#?UYM(D!t`!?`!?9\??-_~{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -191.73, "absorption_energy": -19.391, "layer_distance": 1.705, "delta_charge_bader": 0.639, "dipole_bader": 5.234, "delta_charge_hirf": 0.939, "dipole_hirf": 7.691, "index": "(100)", "absorped_atom": "N", "absorped_pos": "t"}{}1?ênl?¦!`@g"@nzH ^'M<@BBu?3Mg' @x&@3Mg' @BBu?x&@+ @+ @,.@^)?^)?^)?_@_@^)?_@_@;f?;f?ۧ1 @8b->?!<8b@  @!<8b@8b->?  @b@b@bE ! @C9ѮBJ?C9ѮBJ?=>@[Z ?@j@x&@@j@[Z ?x&@p>@p>@,.@^)??_@?^) @^)??^) @_@?dm?RQ?y;i@DԷ @L1@(a_@Ù @x,?(a_@Op @@ʾ+@ı.n?T㥛Ġ??x "@.s,&6?)@H.!"@72 @1?H.!"@9W @Z)@`MEJ"@^)??^)?^) @?_@?_@^) @?RQ?dm?y;i@x,?Ù @(a_@L1@DԷ @(a_@@Op @ʾ+@T㥛Ġ?ı.n??x "@1?72 @H.!"@)@.s,&6?H.!"@Z)@9W @`MEJ"@"~*@"~*@0ACt$@o@o@ME8@vasp{}h/Odh/OdH5C?H5C?Ũk}?噗 x#ȏ?,? x#ȏ噗?,?Pi4?Pi4?RC ?0 O0 O#c40&=!7 N}=!7 40&N}ua?ua?K %vmo?){K9_썿){K9_썿R||Bvޮrrg&zUb?B@ Pl?xeǿPlB@ ?xeǿD4ؙD4ؙ?JnIcc?\Va3Է鲘xHĔH?DŽKk?HĔHԷ鲘x?DŽKk??Vb[?x $(~?x $(~AvĿDKKƁ>>tA}?5vꭹ>>tA}DKKƁ?5vꭹ6T76T7?w ۷p71$'sp71$'s?>Ub?B@ ?PlxeǿPl?B@ xeǿD4ؙ?D4ؙJnIc?c\Va3Է鲘x?HĔHDŽKk?HĔH?Է鲘xDŽKk??Vb[?x $(~x $(~?AvĿDKKƁ?>>tA}5vꭹ>>tA}?DKKƁ5vꭹ6T7?6T7w ۷-q-ے?q-ے?_E>?b#V?>r{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -193.479, "absorption_energy": -21.14, "layer_distance": 1.083, "delta_charge_bader": 0.756, "dipole_bader": 3.934, "delta_charge_hirf": 1.11, "dipole_hirf": 5.776, "index": "(100)", "absorped_atom": "N", "absorped_pos": "b"}{}1?כ7M?M?۞-q@g"@nzH _'M<"@^)?:&@4cѴ@_@=$@-@^)??_@?^) @^)??^) @_@?^)?VF@_@.@^) @^)?.@^) @_@&@^)?h?RD"@_@H"@^) @^)?H"@^) @_@-D"@^)??^)?^) @?_@?_@^) @?:M?HPh?W}@:M?_L @W}@r@HPh?W}@r@_L @W}@+?+H3?іs)"@+?d @іs)"@P2@+H3?іs)"@P2@d @іs)"@^) @_@ %@o@o@ME8@vasp{}g9hhIg9hhI)Xl:? 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$= adsorption_atomic_energyE%? adsorption_surface_energye&+ pwL,qI  d ;  j I 5 y W ;  a C !  x L + jBx]4 cB'kI- tS5j>\4jO&%c=adsorption_atomic_energynP&b?adsorption_surface_energydla#dipole_hirf@zG{`/delta_charge_hirf?ffffff_%dipole_bader@=p ^1delta_charge_bader?S])layer_distance?E\/absorption_energy2KƧ)[Eabsorption_structural_energyghr!%Z=adsorption_atomic_energynP&Y?adsorption_surface_energydlX#dipole_hirf@)U$/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 bw_J1_G2 j G /   q R /   y Y :  t a A " | p \ I ) vdXD1v^L@,q^F4(rYF.oZA.oWB)zW?*bF=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_energy:=adsorption_atomic_energy9?adsorption_surface_energy8%absorped_pos7'absorped_atom 6index5#dipole_hirf4/delta_charge_hirf3%dipole_bader21delta_charge_bader1)layer_distance0/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_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 Qp^L9&{hUB/ q ^}AzF  M < +  ~ l Z H 6 $  p ^ L : (   k/hp4 r \ F 0   { d M 6  ~gP9" TQYwV5oN- a?/absorption_energy%absorped_pos'absorped_atom/absorption_energy/absorption_energy'absorped_atom%absorped_pos'absorped_atom%absorped_pos'absorped_atom/absorption_energy%absorped_pos'absorped_atom/absorption_energy%absorped_pos'absorped_atom/absorption_energy%absorped_pos%absorped_pos('absorped_atom'/absorption_energy %absorped_pos'absorped_atom/absorption_energy%absorped_pos'absorped_atom/absorption_energy%absorped_pos'absorped_atom!Eabsorption_structural_energy !Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy Eabsorption_structural_energy{ Eabsorption_structural_energyo Eabsorption_structural_energyc Eabsorption_structural_energyW Eabsorption_structural_energyK Eabsorption_structural_energy? Eabsorption_structural_energy3 Eabsorption_structural_energy' Eabsorption_structural_energy Eabsorption_structural_energy Eabsorption_structural_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energyx/absorption_energyl/absorption_energy`/absorption_energyT/absorption_energyH/absorption_energy</absorption_energy0/absorption_energy$/absorption_energy/absorption_energy /absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy|/absorption_energyp/absorption_energyd/absorption_energyX/absorption_energyL/absorption_energy@/absorption_energy4/absorption_energy(/absorption_energy/absorption_energy/absorption_energy%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_post%absorped_posh%absorped_pos\%absorped_posP%absorped_posD%absorped_pos8%absorped_pos,%absorped_pos %absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_pos%absorped_posx%absorped_posl%absorped_pos`%absorped_posT%absorped_posH%absorped_pos<%absorped_pos0%absorped_pos$%absorped_pos%absorped_pos 'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atoms'absorped_atomg'absorped_atom['absorped_atomO'absorped_atomC'absorped_atom7'absorped_atom+'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atom'absorped_atomw'absorped_atomk'absorped_atom_'absorped_atomS'absorped_atomG'absorped_atom;'absorped_atom/'absorped_atom#'absorped_atom'absorped_atom wwU3gE#xV!9nQ4 c E ' s U 7  e G ) u WC :  h J , sT5{\=dE&lM.aiQ9! yaI1!Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy!Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy!Eabsorption_structural_energy=adsorption_atomic_energy?adsorption_surface_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energyw!Eabsorption_structural_energyk!Eabsorption_structural_energy_!Eabsorption_structural_energyS!Eabsorption_structural_energyG!Eabsorption_structural_energy;!Eabsorption_structural_energy/!Eabsorption_structural_energy#1delta_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_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energyu?adsorption_surface_energyi?adsorption_surface_energy]?adsorption_surface_energyQ?adsorption_surface_energyE?adsorption_surface_energy9?adsorption_surface_energy-?adsorption_surface_energy!?adsorption_surface_energy?adsorption_surface_energy ?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?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=?adsorption_surface_energy1?adsorption_surface_energy%?adsorption_surface_energy?adsorption_surface_energy ? adsorption_surface_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energyv=adsorption_atomic_energyj=adsorption_atomic_energy^=adsorption_atomic_energyR=adsorption_atomic_energyF=adsorption_atomic_energy:=adsorption_atomic_energy.=adsorption_atomic_energy"=adsorption_atomic_energy=adsorption_atomic_energy =adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energyz=adsorption_atomic_energyn=adsorption_atomic_energyb=adsorption_atomic_energyV=adsorption_atomic_energyJ=adsorption_atomic_energy>=adsorption_atomic_energy2=adsorption_atomic_energy&=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_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>/absorption_energy6!Eabsorption_structural_energy5/absorption_energy!Eabsorption_structural_energy/absorption_energy!Eabsorption_structural_energy/absorption_energy!Eabsorption_structural_energy/absorption_energy~!Eabsorption_structural_energy}/absorption_energyu!Eabsorption_structural_energyt/absorption_energyl!Eabsorption_structural_energyk/absorption_energyc!Eabsorption_structural_energyb/absorption_energyZ!Eabsorption_structural_energyY/absorption_energyQ!Eabsorption_structural_energyP/absorption_energyH!Eabsorption_structural_energyG/absorption_energy?!Eabsorption_structural_energy>=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energyw=adsorption_atomic_energyn=adsorption_atomic_energye=adsorption_atomic_energy\=adsorption_atomic_energyS=adsorption_atomic_energyJ=adsorption_atomic_energyA=adsorption_atomic_energy8=adsorption_atomic_energy/=adsorption_atomic_energy&=adsorption_atomic_energy=adsorption_atomic_energy=adsorption_atomic_energy =adsorption_atomic_energy!Eabsorption_structural_energy,!Eabsorption_structural_energy#!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy!Eabsorption_structural_energy Eabsorption_structural_energyx Eabsorption_structural_energyo Eabsorption_structural_energyf Eabsorption_structural_energy] Eabsorption_structural_energyT Eabsorption_structural_energyK Eabsorption_structural_energyB Eabsorption_structural_energy9 Eabsorption_structural_energy0 Eabsorption_structural_energy' Eabsorption_structural_energy Eabsorption_structural_energy Eabsorption_structural_energy Eabsorption_structural_energy/absorption_energy-/absorption_energy$/absorption_energy/absorption_energy/absorption_energy /absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energy/absorption_energyy/absorption_energyp/absorption_energyg/absorption_energy^/absorption_energyU/absorption_energyL/absorption_energyC/absorption_energy:/absorption_energy1/absorption_energy(/absorption_energy/absorption_energy/absorption_energy /absorption_energy Q@jL.i{]?! m O 1  y Z ;  b C $  j K , r! [ D - u^G0pX@(hP8 xQbL6  pZD-u^xaJ3:1delta_charge_bader=adsorption_atomic_energy1delta_charge_bader=adsorption_atomic_energy?adsorption_surface_energy1delta_charge_bader=adsorption_atomic_energy?adsorption_surface_energy=adsorption_atomic_energy/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/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_baderw1delta_charge_badern1delta_charge_badere1delta_charge_bader\1delta_charge_baderS1delta_charge_baderJ1delta_charge_baderA1delta_charge_bader81delta_charge_bader/1delta_charge_bader&1delta_charge_bader1delta_charge_bader1delta_charge_bader 1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_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_energyr?adsorption_surface_energyi?adsorption_surface_energy`?adsorption_surface_energyW?adsorption_surface_energyN?adsorption_surface_energyE?adsorption_surface_energy<?adsorption_surface_energy3?adsorption_surface_energy*?adsorption_surface_energy!?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energyv?adsorption_surface_energym?adsorption_surface_energyd?adsorption_surface_energy[?adsorption_surface_energyR?adsorption_surface_energyI?adsorption_surface_energy@?adsorption_surface_energy7?adsorption_surface_energy.?adsorption_surface_energy%?adsorption_surface_energy?adsorption_surface_energy?adsorption_surface_energy ? adsorption_surface_energy=adsorption_atomic_energy|=adsorption_atomic_energys=adsorption_atomic_energyj=adsorption_atomic_energya=adsorption_atomic_energyX=adsorption_atomic_energyO=adsorption_atomic_energyF=adsorption_atomic_energy==adsorption_atomic_energy4=adsorption_atomic_energy+=adsorption_atomic_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$@ ui@~jt@"-R@^) @([Z?^) @ v@^.;1@^) @=\r)?{L@_@!vy?fffff@Vy@N@ؙB@!vy?ǘ@_@Nz1@Zd;@!vy?|@7[ @F|'f@*@^) @!vy@([Z?^) @x s?^.;1@^) @4Op@{L@ŏ1w@([Z? F%u@h˹W@U@x( <@^)?bհ@ )?7!@N@3?bհ@-`@^)?@z!@ Y9?bհ@M(D@z6>?*!@*@4@([Z?M֨@h˹W@M@x( <@^) @ŏ1w@([Z?^) @@s)*@^) @I&f@XQi@_@bհ@fffff@7!@N@Vy@bհ@-`@_@@z!@[rP@bհ@M(D@7[ @*!@*@^) @4@([Z?^) @F_A@s)*@^) @'$@XQi@^) @bհ@_L@o@q?w$@,. 6l5@vasp{}f!f!HIOǫ?c@zٿW?Y|^t?B=_=[ ~b?]Ej5l/z?V?fI}y?d:tzލ?)'$z, &(D2?$H8t&} Xig uj?O崧䜼HIOǫc@zٿWY|^t?B=?J?HLP÷׿H'cN ^?VIddYN`_=[? ~b?]Ej?5l/z?V?fI}yd:tzލ?)'$z?, &(D2?$H8t?&} Xi?g uj?O崧䜼J񄿮HLP÷׿H'c?N ^?VIddY?N`l"3<6lgϿOo+K?=)[$,뇴(]w?V?]Ej5l/zV?/^|~)'$z, &(?D2?:`T?E2 Xig ujO崧䜼l"3Ʀ43{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -183.516, "absorption_energy": -18.791, "layer_distance": 1.457, "delta_charge_bader": 0.697, "dipole_bader": 4.877, "delta_charge_hirf": 0.651, "dipole_hirf": 4.555, "index": "(110)", "absorped_atom": "F", "absorped_pos": "b2"}{}1?{-?SYr@@i a'M<?m?߄B@E|'@Ϡe?9̗W@^)?!vy?^)?1@BL@^)?wb֋?+e@^)?Nz1@^)?(yu?=a@^)? /@7@!vy@([Z?n\?v@CQO@u^@N@aC@^) @([Z?= @߄B@E|'@Hh @9̗W@_@!vy?_@ <@;5Y^@_@KY8E?To l@_@Nz1@_@_vO?jt@_@67'l@\='o<@^) @!vy@([Z?# @v@Ry;) @u^@N@aC@ŏ1w@([Z?>?m?"A@E|'@ K̔Y8j?^)ʥտ|FH"i7@jw?r&"p?yߢR҇?o4(?i?xy:?^;r6, Jʽ?>s(?dҍbc^*ѫ?h8eC‡{\&pn׿?w~~uf81$'>̔( ̔( s(?dҍ?bc^*ѫh8eR҇o4(?ixy:?^;?r6,C‡{\&?pn׿z):ˏ]?uf81$'?>̔:vP눿'z)?Vf'Qj?a}H{??; 4{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -183.493, "absorption_energy": -18.767, "layer_distance": 1.193, "delta_charge_bader": 0.695, "dipole_bader": 3.985, "delta_charge_hirf": 0.578, "dipole_hirf": 3.313, "index": "(110)", "absorped_atom": "F", "absorped_pos": "b1"}{}1?)MBE?)z'@@i `'M<Ab{?5:U5磌vy]׿qdPj#8ZS:Xӿ&My|,G@n<@H/j?8 Q,AF?pd?\m?*;?S[ c?Qb0훳y̓?+pW?֦v?5ڋhr{ [v>Ab{?5:U̒5Ab{5:UH/j8 Q?,AF?pd\m*;?S[ cQ?b0훳5磌?vy]׿\7?j#?8Z ZH&My?|,G@n8謹y̓+pW?֦v?5ڋh?r{ [v>Ab{5:UH/j?8 Q?,AF?pd?\m*;?S[ c?Q?b0훳̒5?"@^)?gj+!@.4W@4@([Z?S:X?kHc@Ӈ.o@t//@@L2r@rß@^) @ŏ1w@([Z?@j @|@Ӈ.o@R@x@ٔ@rß@_@bհ@_@x!@(rw@_@bհ@3ı.n@_@@z!@_@bհ@i!@_@Q,"@O#-C@^) @4@([Z?@j @kHc@Ӈ.o@R@L2r@rß@_@bհ@t{Ic@o@q?w$@,. 6l5@vasp{}gR=gR=Am ?OUڿ"ڎ?L1%ϛTXM?QF\?@T⶿}?5^?{mm? F%uj?du*Քd?ю~7?A]P8'0Am OUڿ"ڎ?L1%?ϛTXM?QF\@T⶿Am? ?OUڿ"ڎL1%ϛTXMQF\?@T⶿??,;c~ƅ!Y?^W?m5 ?n+?_wēN ^Am? OUڿ"ڎL1%?ϛTXMQF\@T⶿p?nM- !ڿ_^}t? h'?GȰ[a/ฌ;B?X:%?{mmቿ F%uj?Ip*?Քd?pt?A]P?8'0p?nM- ?!ڿ_^}t? h'GȰ[a/ฌ?;B?pnM- !ڿ_^}tꚿ h'?GȰ[a/?ฌ;B?6>4?,;c?~ƅ!Y?F#W<m5? ?\O?_wē?N ^pnM- ?!ڿ_^}tꚿ h'GȰ[a/?ฌ?;B?x#ȞY?iBD֎?5~J'x? 3{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -184.198, "absorption_energy": -18.364, "layer_distance": 2.048, "delta_charge_bader": 1.008, "dipole_bader": 9.915, "delta_charge_hirf": 1.288, "dipole_hirf": 12.667, "index": "(110)", "absorped_atom": "O", "absorped_pos": "f"}{}1? E@?Y@@il _'M<?bհ@.9@]ʾ+?"!@@@4@([Z??@F@S:@M(D@^) @ŏ1w@([Z?^) @Wf,@P6 @^) @ 73@:@_@bհ@HG@`YiR !@_M@?5^I@bհ@BxqĚ@_@@z!@g?@bհ@.9@v@"!@@@^) @4@([Z?^) @Hm~@P6 @^) @e-@:@^) @bհ@-@o@q?w$@,. 6l5@vasp{}g2g2a4?Pmp"ؿe/?:#/kb?/乎7Hk :!t?'?5Φ#{CqǛ}?|X%}?`ũ?׆q&tߠxX?I2f\kF$Db?"1A ?%a4Pmp"ؿe/󦢿:#/kb?/乎?7vk y|׿n)"??ҹ^|??Z8Z`{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -184.799, "absorption_energy": -18.966, "layer_distance": 1.177, "delta_charge_bader": 0.864, "dipole_bader": 4.885, "delta_charge_hirf": 0.95, "dipole_hirf": 5.37, "index": "(110)", "absorped_atom": "O", "absorped_pos": "b2"}{}1?#:?tn@@il `'M<W[@^) @!vy@([Z?ʦ @vk@Pn @2b"@ݵ|S@ŏ1w@([Z?&S@&@4i@8*5{?ŏ1w@:zަ@^)?bհ@^)?jHc!@LH@^)?j>"@7d@^)?@z!@^)?-l@9ߡ(@^)?S!u"@B[Υ@4@([Z?_L @ŏ1w@';@eX?K @ݵ|S@^) @ŏ1w@([Z?V/' @&@4i@IOc @ŏ1w@:zަ@_@bհ@_@[!@P@_@v@>W[@_@@z!@_@.9@].;@_@!@Ji@^) @4@([Z?QI @ŏ1w@';@Pn @K @ݵ|S@_@ŏ1w@mscz2@o@q?w$@,. 6l5@vasp{}g6g6(]?Muѿ~oӟHa"[AӒ?}"O?ek}?>z}֬<.ED1?eI)?MLbGx?Ku/3l%j?9l奿NA~6r?N@C#tub7P|z?6y?3?O&B?Pҿͮ{+b?qdP?QnHy'Lh乿(]Muѿ~oӟHa?"[AӒ?}"O?ek}>z}֬e-?*?2g@Y?|#gqN`:?wiai࿿VΆϞ$x?F$aNIQ,CƣT?W\TK?3?O?&B?Pҿͮ{+bqdP?QnH?y'Lh乿jv/=;k]տ~oӟHa"[AӒ}"O?]~p>B`"۵l?NA~6r?N@C?#tub7P|z6y?<.ED1eI)?MLbGxKu/3l%j򔭿93?O&BPҿ1>~?t?QnHy'Lh?乿jv/?=;k]տ~oӟHa?"[AӒ}"O?]~p>?B`"۵VΆ?Ϟ$x?F$aN?IQ,CƣTW\TK?e-*?2g@Y|#gqN`:wiai࿿3?O?&BPҿ1>~t?QnH?y'Lh?乿x&4I,)CWXV?l͊?LDYY|??2~[C{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -184.995, "absorption_energy": -19.161, "layer_distance": 1.581, "delta_charge_bader": 1.007, "dipole_bader": 7.644, "delta_charge_hirf": 0.993, "dipole_hirf": 7.54, "index": "(110)", "absorped_atom": "O", "absorped_pos": "b1"}{}1?ߑ}AQ?VXWC@@il psW6}_=! h G )  ^ 2  y P (  ^ C  e I ( oQ/Z9xP$kBqP5 yW;aC!xL+ S1delta_charge_bader?tj&R)layer_distance?XbM&Q/absorption_energy5 =p&)PEabsorption_structural_energyh.+ J&%O=adsorption_atomic_energy"`A&&N?adsorption_surface_energyepn&M#dipole_hirf@&x%L/delta_charge_hirf?tj~%K%dipole_bader@o-V%J1delta_charge_bader?bM%I)layer_distance?Gz%H/absorption_energy5Eabsorption_structural_energyhyS$%==adsorption_atomic_energyE$&<?adsorption_surface_energyepn$;#dipole_hirf@C#:/delta_charge_hirf?+ I^#9%dipole_bader@XbM#81delta_charge_bader?|hr#7)layer_distance?-V#6/absorption_energy1a7Kƨ#)5Eabsorption_structural_energyfݺ^5?}#%4=adsorption_atomic_energyE#&3?adsorption_surface_energydl#2#dipole_hirf@1"1/delta_charge_hirf@E"0%dipole_bader@~""/1delta_charge_bader?"`".)layer_distance?vȴ"-/absorption_energy4*~""),Eabsorption_structural_energyg6+"%+=adsorption_atomic_energyE"&*?adsorption_surface_energydl")#dipole_hirf@91l!(/delta_charge_hirf@^5?|!'%dipole_bader@ >"!&1delta_charge_bader?O;dZ!%)layer_distance?lC!$/absorption_energy3tzG!)#Eabsorption_structural_energyg ě!%"=adsorption_atomic_energyE!&!?adsorption_surface_energydl! #dipole_hirf@ -V /delta_charge_hirf?GzH %dipole_bader?M 1delta_charge_bader?+ )layer_distance?tj~ /absorption_energy1WO;d )Eabsorption_structural_energyfhr %=adsorption_atomic_energyѩlD &?adsorption_surface_energydl #dipole_hirf@3G{/delta_charge_hirf@Vu%dipole_bader?O;dZ1delta_charge_bader?`A7)layer_distance?`A7/absorption_energy3$/)Eabsorption_structural_energyg ;dZ%=adsorption_atomic_energyѩlD&?adsorption_surface_energydl#dipole_hirf@/7Kƨ /delta_charge_hirf@+ %dipole_bader?vȴ 1delta_charge_bader?tj~ )layer_distance?\(\ /absorption_energy2x)Eabsorption_structural_energyfzH%=adsorption_atomic_energyѩlD&?adsorption_surface_energydl#dipole_hirf@8R/delta_charge_hirf@\(%dipole_bader@ȴ9Xb1delta_charge_bader?Ƨ-)layer_distance@ I^5/absorption_energy3&$/)Eabsorption_structural_energyfC%%~=adsorption_atomic_energyѩlD&}?adsorption_surface_energydl|#dipole_hirf@#5\({/delta_charge_hirf?$/z%dipole_bader@ Cy1delta_charge_bader?+ Ix)layer_distance?Qw/absorption_energy2o)vEabsorption_structural_energyg x%u=adsorption_atomic_energynP&t?adsorption_surface_energydls#dipole_hirf@1&r/delta_charge_hirf?hr!q%dipole_bader@Qp1delta_charge_bader?~"o)layer_distance?`A7Kn/absorption_energy1ܬ1&)mEabsorption_structural_energyf=p %l=adsorption_atomic_energynP&k?adsorption_surface_energydlj#dipole_hirf@(\)i/delta_charge_hirf?Ƨ-h%dipole_bader@tj~g1delta_charge_bader?1&f)layer_distance?KƧe/absorption_energy3)7KƧ)dEabsorption_structural_energyg =p _'M<wY$Pi4ֿ*g\QfL2rz΅wE| V:տׁsF +d >ƿSh?_vOV? ZH'IL?^saw?{&:8k$ B?ݗ3U?58EGry|??`E жzE?Mp]1Y$?Pi4ֿyw)?QfL2r?z΅sfB,ѿs,̓?j! lZ!'IL^saw?{&?:8k$ B?ݗ3U58EGry|??`E жz?E?Mp]1E| V?:տͪղ? ?+d hyܝB~?Rđ?~ "|?x{?{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -183.695, "absorption_energy": -17.862, "layer_distance": 1.711, "delta_charge_bader": 0.703, "dipole_bader": 5.78, "delta_charge_hirf": 0.779, "dipole_hirf": 6.403, "index": "(110)", "absorped_atom": "O", "absorped_pos": "t"}{}1?D>?~B@@il _'M<\r) @l, P@#G@ @s~?h˹WU@_@!vy?<1P@\[%X@ڧ1@K;@!vy?0_^@_@Nz1@N],@!vy?|͍@oB!@LJ@ǵ@^) @!vy@([Z?>\r) @.n$@#G@ @*~@h˹WU@ŏ1w@([Z?Q@:ǀ@|~!<@Sg?E>')@o_@^)?bհ@Xj?|G!@1Bxq@AJi?bհ@z1@^)?@z!@J8?bհ@9m4@<.9?/"@5@4@([Z?Q@@ٔ+@|~!<@Sg?8@o_@^) @ŏ1w@([Z?t @;1@v@dp @UގpZp@;f_@_@bհ@<1P@(IL!@ڧ1@@߾@bհ@ vö@_@@z!@@bհ@g?@oB!@ض(A"@ǵ@^) @4@([Z?t @7A`@v@dp @P@;f_@cՐ@bհ@>yX5M@o@q?w$@,. 6l5@vasp{}g Ag Aq@HVI{j,aۿ3jJ>vW(~9 h?eS?Ҥt?M񸨺5>?3l?.)%*?$zr?{l˚dVA ?Sr/0+d??+d?Ů?\R? uѱJ\Ljq@HVI{?j,aۿ3jJ>vW(~?9 h?eS?ҤtM񸨺cz(kX˝`8w?cݿ3Vzm6v?W\i?8fٓ\?DkE|?C?{?*5{(@T.5B??bFx{p,+MJAwH5\? -|?4 ?h8enOʤ6uݑ1?a2U0*cVc kc?rMd?3p1Mccz(kX˝`8wcݿ3Vzm6v?W\i8fٓ\?DkE|?C?{*5{J[\3 |(?lY.ڿ;~V?7ӅX?tB蠿Ҩ6p?kIG9MQY?RH2wm?RcB%?.)%*$zr?PNR!udVA ?Sr/0+d?5A}R{Q?\R? u?ѱJ\LjJ[\3 |(lY.ڿ;~V?7ӅXtB蠿Ҩ6p?kIG9M?QY?! _B?/?) ?ڿg?I2f?W#2m5?xy:*V m2[0[ws?bFx{p,+MJAw?H5\?,NGh>h8enOʤ6?uݑ1?}͑e*%d?rMd?3p?1Mc! _B?/䉿) ?ڿg?I2fW#2m5?xy:?*V ۈ'?:␭!?T}$?H Pz?&Dr?:-{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -184.341, "absorption_energy": -18.507, "layer_distance": 1.82, "delta_charge_bader": 0.954, "dipole_bader": 8.337, "delta_charge_hirf": 1.099, "dipole_hirf": 9.605, "index": "(110)", "absorped_atom": "O", "absorped_pos": "h"}{}1?=?*K?!⅚@@il LlZN:'lTB6" g T < *  } h O < $   } e P 7 $ e M 8  p M 5 wX5_@zgG(vbO/|j^J7|dRF2wdL:.x_Lg%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_bader(Z1delta_charge_bader(Y)layer_distance(X/absorption_energy( WEabsorption_structural_energy(V=adsorption_atomic_energy(U?adsorption_surface_energy(T%absorped_pos'S'absorped_atom' Rindex'Q#dipole_hirf'P/delta_charge_hirf'O%dipole_bader'N1delta_charge_bader'M)layer_distance'L/absorption_energy' KEabsorption_structural_energy'J=adsorption_atomic_energy'I?adsorption_surface_energy'H%absorped_pos&G'absorped_atom& Findex&E#dipole_hirf&D/delta_charge_hirf&C%dipole_bader&B1delta_charge_bader&A)layer_distance&@/absorption_energy& ?Eabsorption_structural_energy&>=adsorption_atomic_energy&=?adsorption_surface_energy&<%absorped_pos%;'absorped_atom% :index%9#dipole_hirf%8/delta_charge_hirf%7%dipole_bader%61delta_charge_bader%5)layer_distance%4/absorption_energy% 3Eabsorption_structural_energy%2=adsorption_atomic_energy%1?adsorption_surface_energy%0%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"=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 z1delta_charge_bader y)layer_distance x/absorption_energy wEabsorption_structural_energy v=adsorption_atomic_energy u?adsorption_surface_energy t%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 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_energy `'M<yX5@^)?!vy?Bi@^)?Nz1@^)?!vy?80@^)?Tt<@1*$@!vy@([Z??ܵ?"\?Zd@S c @ @SW@^) @([Z? @}͍@Zd@J0 @ͪՆ$@SW@_@!vy?_@h@Zd;O@_@!vy? @_@Nz1@_@!vy?@_@hu@˜.m@^) @!vy@([Z? @"\?Zd@J0 @ @SW@ŏ1w@([Z?= Y?̯@YLl>@g?@6q@eN@^)?bհ@^)?Vn!@>yX5@^)?bհ@{Nz:@^)?@z!@^)?bհ@&1@^)?X!@1*$@4@([Z?= Y?T㥛Ā@YLl>@g?@u7@eN@^) @ŏ1w@([Z?%]3f @̯@YLl>@3d@6q@eN@_@bհ@_@Ӥt{!@Zd;O@_@bհ@S㥛@_@@z!@_@bհ@pΈ@_@l&ls"@˜.m@^) @4@([Z?%]3f @T㥛Ā@YLl>@3d@u7@eN@_@bհ@hb@o@q?w$@,. 6l5@vasp{}f?#[f?#[I?9vz?aMeQٿԜz?CVzNzۤw*1 ?o?dvSI+?Tti{nʵEn1o|\?S?j@+0d?߾I?9vzaMeQٿԜz?CVzNz?ۤw*1 ?o엿dvSI??9vz?aMeQٿԜzCVzNzۤw*1 o?dvS*D?Oތ?= !?6 \?UnHJz?f?6T7q„I??9vzaMeQٿԜzCVzNz?ۤw*1 o엿dvS׼Z?&"oEENܿ)=Ke?9}?wihsۤG仔d"?gb?Tt?i{P<En1o?|\?Ral!A?j@+0d??߾׼Z?&"?oEENܿ)=Ke?9}㛿wihsۤG仔d?"?׼Z&"oEENܿ)=Ke9}?wihsۤ?G仔d"? '8?Oތ= !?fOsU?nHJz?^/ ۖ?6T7?q„׼Z&"?oEENܿ)=Ke9}㛿wihsۤ?G仔d?"?:ZՒr!Ow?r"?K]w?p&{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -183.727, "absorption_energy": -19.149, "layer_distance": 2.001, "delta_charge_bader": 0.309, "dipole_bader": 2.973, "delta_charge_hirf": 2.57, "dipole_hirf": 24.695, "index": "(110)", "absorped_atom": "B", "absorped_pos": "f"}{}1?}M ?wO!@@ 7Kƨ #[D 9!{cA)k [ C +  k  U ?woXA*r[D-u^$r: ( wMxgVD2 ~lZH6$YQ;0Qe  s u j _ T I > 3 (=w5V   } j W C /   { g S ? +  k)c!Bc/delta_charge_hirf %dipole_bader/delta_charge_hirfD/delta_charge_hirf8/delta_charge_hirf,1delta_charge_baderN/delta_charge_hirf%dipole_bader%dipole_bader /delta_charge_hirf/delta_charge_hirf/delta_charge_hirft/delta_charge_hirfh/delta_charge_hirf\/delta_charge_hirfP1delta_charge_baderZ/delta_charge_hirf%dipole_bader1delta_charge_baderr1delta_charge_baderf/delta_charge_hirf%dipole_bader1delta_charge_bader1delta_charge_bader~/delta_charge_hirf%dipole_bader1delta_charge_bader1delta_charge_bader/delta_charge_hirf%dipole_bader%dipole_bader/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf|/delta_charge_hirfp/delta_charge_hirfd/delta_charge_hirfX/delta_charge_hirfL/delta_charge_hirf@/delta_charge_hirf4/delta_charge_hirf(/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf1delta_charge_bader1delta_charge_bader%dipole_bader1delta_charge_bader1delta_charge_bader%dipole_bader1delta_charge_bader1delta_charge_bader%dipole_bader1delta_charge_bader1delta_charge_bader%dipole_bader1delta_charge_bader1delta_charge_bader%dipole_bader1delta_charge_bader21delta_charge_bader&%dipole_bader{1delta_charge_baderJ1delta_charge_bader>%dipole_badero1delta_charge_baderb1delta_charge_baderV%dipole_baderc1delta_charge_baderz1delta_charge_badern%dipole_baderW/delta_charge_hirf$%dipole_bader#1delta_charge_bader"/delta_charge_hirf%dipole_bader1delta_charge_bader/delta_charge_hirf 1delta_charge_bader /delta_charge_hirf/delta_charge_hirf/delta_charge_hirf1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader1delta_charge_bader#dipole_hirf#dipole_hirfu#dipole_hirfi#dipole_hirf]#dipole_hirfQ#dipole_hirfE#dipole_hirf9#dipole_hirf-#dipole_hirf!#dipole_hirf#dipole_hirf %dipole_baderK%dipole_bader?%dipole_bader3%dipole_bader'%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_baders%dipole_baderg%dipole_bader[%dipole_baderO%dipole_baderC%dipole_bader7%dipole_bader+%dipole_bader%dipole_bader b'M<@Z!@!vy@([Z?A+0du$@9W@gaO;u@[[@^) @([Z?^) @9}@ŧ@^) @V-?P#@_@!vy?NG@a@\mr@D )@!vy?jt@_@Nz1@g@!vy?9}c@]P2@YLl>@Z!@^) @!vy@([Z?^) @G$@ŧ@^) @.oS@P#@ŏ1w@([Z?8m@e-@Tގ@K8U@^)?bհ@2=a?=!@\mr@%;6?bհ@ @^)?@z!@h,?bհ@Օ<@.9(a&?h "@Z!@4@([Z?=@e-@p_@K8U@^) @ŏ1w@([Z?^) @1@5@^) @r߉@UގpZ@_@bհ@NG@=!@\mr@R"@bհ@ @_@@z!@h@bհ@Օ<@]P2@h "@Z!@^) @4@([Z?^) @6o@5@^) @Pfd @UގpZ@^) @bհ@w( I@o@q?w$@,. 6l5@vasp{}f$,f$,2;ީ?r O߿;/K;5?n?_\רh"lxzH¾}Tt?@S@_@o_?yS@_@Nz1@_@*p?M(@_@@ @^) @!vy@([Z?Gɫs  @Tƿϸ@Ϡ @Cf@J{/Lf@ŏ1w@([Z?W@_vO@ 0@HQ,?ŏ1w@N@^)?bհ@^)?Y9!@M@^)?`ü@eS.@^)?@z!@^)?%@ v@^)?h㈵!@=@4@([Z?y&1|?ŏ1w@e@{|?Y@J{/Lf@^) @ŏ1w@([Z?5l/ @_vO@ 0@֋h @ŏ1w@N@_@bհ@_@jjZ!@M(@_@2d@ @_@@z!@_@δ@S@_@K7"@yS@^) @4@([Z? F%u @ŏ1w@e@Ϡ @Y@J{/Lf@_@ŏ1w@ʾ+@o@q?w$@,. 6l5@vasp{}g ={Ig ={I_=~?Cb̿W:%?Y.}?f?Y.?M֨ht-v?qo~?[&|t?mYg|_?B]©?Ҫt&|ԋYh9?b('zdVp;XoC?:ūV_d?ip[[Կx?N??@?9)9'_=~Cb̿W:%Y.}?f?Y.M֨htaN&?#?kqܴ!S?m?3b^'Qf?]a^NF"4럿I.!V_?d?ip[[ԿxN?@?9)9'UǵbۿW:%?Y.}f?$[]N ?ݰmQf?&|ԋ?Yh9?b('z?dVp;XoC:ū-vqo~?[&|tmYg|_?B]©ҪtV_dip[[ԿYj0 ??@薿9)9'U?ǵbۿW:%Y.}f?$[]N ݰmQf?b^'?Qf?]a?^NF"4?I.!aN&#?kq?ܴ!Sm?3V_?dip[[ԿY?j0 ?@薿9)9')s TY? !ְɍ?xCQ{?2Wk J{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -184.351, "absorption_energy": -19.774, "layer_distance": 1.551, "delta_charge_bader": 0.147, "dipole_bader": 1.097, "delta_charge_hirf": 2.632, "dipole_hirf": 19.605, "index": "(110)", "absorped_atom": "B", "absorped_pos": "b1"}{}1?@oB!@Z@^) @([Z?^) @46<@)D/@^) @czh@_@!vy?rCQ@Ӥt{@C9ѮB@> Y@&pn?ypw@_@Nz1@bX9@bh?L7A`@[Ӽ@Gɫs@#EdX@^) @!vy@([Z?^) @C8@^) @@ 0@ŏ1w@([Z?wJ@4@ŏ1w@.R\UV@^)?bհ@6[ ?xqZ!@L7A`@+?:@#EdX@^)?@z!@zk`?70@C9ѮB@v7OuM?D!T!@ypw@4@([Z?ŏ1w@VC@}@Z@^) @ŏ1w@([Z?^) @oŏ@)D/@^) @ŏ1w@W/'@_@bհ@bX9@xqZ!@L7A`@[Ӽ@:@#EdX@_@@z!@rCQ@70@C9ѮB@> Y@D!T!@ypw@^) @4@([Z?^) @ŏ1w@}:3P@^) @ ^@ 0@^) @ŏ1w@:ǀ5 @o@q?w$@,. 6l5@vasp{}fl Ffl Fht3ѿD$]H_t  QF\j?,%I(31]?*5{x?{G 1?k$ 5$?0`ɥywd6'z[rPL{?gG?4($u??f5{:fӜ?(&2sg񁵿Hi׿=)[$~:es~ѿՑ#_s0jMStQF\j,%I(31]?*5{x{G 1?k$ 5$??0`ɥywd6'z?[rPL{?gG?4($u?f5{:?fӜ?(&2sne2nSտ3KԤ)=4a/\sGͿD$]?H_tPֱ'z[rPL{gG?4($u??f?5{:fӜ(&2sQF\j?,%I(?31]?*5{x?{G 1k$ 5$?0`ɥ?ywd6g?Hi׿mIF¶?~:?es~EҿՑ#?_s0aq6'z?[rPL{gG?4($u?f?5{:?fӜ(&2sQF\j,%I(?31]?*5{x{G 1k$ 5$??0`ɥ?ywd6ne2?nSտ.['@^)?Nz1@^)?UMu?.lI@^)?=yX@ e@!vy@([Z?j0 Gt?n)@OI5?BR@ǵb\@^) @([Z?4 @UMu@Fx @} @Nz1T@_@!vy?_@E a@H@_@sR?!A 3@_@Nz1@_@(r?%e@_@V/g@p:@^) @!vy@([Z?}i @n)@ 7 @BR@ǵb\@ŏ1w@([Z?t^c:?^c@Fx @2YӮ?ŏ1w@m@^)?bհ@^)?ZBs!@.lI@^)?I&¦@ e@^)?@z!@^)?R~R@D@^)?^zk`!@E>'@4@([Z?E|'fh?ŏ1w@ @OI5?@ǵb\@^) @ŏ1w@([Z?4 @^c@Fx @z{ @ŏ1w@m@_@bհ@_@:;%!@%e@_@^)@p:@_@@z!@_@fL2r@H@_@nض("@!A 3@^) @4@([Z? ϛ @ŏ1w@ @ 7 @@ǵb\@_@ŏ1w@j';t@o@q?w$@,. 6l5@vasp{}g6+ug6+u }Vпl?d73р? i?*MF?ʲȑΠ? Lu?H?St$?W|Cu?w悔/LZ`?/r]tB?S[q„Ѹ?噳ft?¿3ԿJ4*p?Pi>?&Sunڌp?|a2U0* ?}Vпld73р? i?*MFʲZ8?l ]?!˛Å=)5z5@i?5($ջv4|HF?-c}&s,B:<,eXf?t?¿3ԿJ4*pPi>?&S?unڌp?|a2U0*[$F/Ie9ؿl?d73р i?75|α?(vL}?/L?Z`?/r]t?B?S[q„Ѹ噳ȑΠ Lu?HSt$?W|Cuw悔ft¿3Կ$5&\R?&Sunڌp|a2U0*[$F?/Ie9ؿld73р i?75|α(vL}?v4?|HF?-c}?&s,B:\Ԕ??̳A7{?}Gٳe{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -185.714, "absorption_energy": -20.166, "layer_distance": 1.444, "delta_charge_bader": 0.718, "dipole_bader": 4.979, "delta_charge_hirf": 2.534, "dipole_hirf": 17.578, "index": "(110)", "absorped_atom": "C", "absorped_pos": "b1"}{}1?ߍG]y?\>Զ@@p ě `#'M<@Zd@Gɫs @Ԃ}@3.@y]@.o@L?Q#@s@yu٫@ё\C @@zFw?it3%@Eby@1%@a4&@q?w$@Y jƄ@V|9@vasp{}hyᤕvhyᤕv+B^ qS?y?=B͐*? O?}Az|kzp~k'JB?E>a? FS?vꭁbFҁ?0*t?S;Ԗ <?PR)?Ke%@,vq -)q?lZ)rFQ趿mr[*MFeמYB9^I?xgw?jHPs_羿`?Nz1S? 毐2ʿܼqR?fb?ի?&75??Ig e^SH~?26t?p ({ԟ&KZ?R,?m}̧5?L*?FR);.?U 7೿|⋮?ihs۔ի?̖p?P6 r?g e1{v1?}<ݭ,? ({ԟԛQU|??Q =NL*?`\:挿E жU 7೿ ]@ SK ?_@/ܹ0óuٕ46TN{Jq@H?AfjGq:?t$~9̗g?l?= NPg,{B?3c?:b5nRX;KW?(%ў? Ԃ?%B?h=(:"P?ܬ"D??^[{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -195.809, "absorption_energy": -21.169, "layer_distance": 0.957, "delta_charge_bader": 0.894, "dipole_bader": 4.108, "delta_charge_hirf": 1.306, "dipole_hirf": 6.003, "index": "(111)", "absorped_atom": "N", "absorped_pos": "h2"}{}1?ә9L??WK@5b#@nzH ev_H1ybK4v#xgVE3!m[I7% {D h1 { k [ K ; +  t c R A 0   j3W e s ` M : '   | h T @ ,   x d P < (  VzC #dipole_hirf/delta_charge_hirf%dipole_bader)layer_distance#dipole_hirf/delta_charge_hirf%dipole_bader)layer_distance%dipole_bader%dipole_bader%dipole_bader/delta_charge_hirf/delta_charge_hirf/delta_charge_hirfy/delta_charge_hirfp/delta_charge_hirfg/delta_charge_hirf^/delta_charge_hirfU/delta_charge_hirfL/delta_charge_hirfC/delta_charge_hirf:/delta_charge_hirf1/delta_charge_hirf(/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf /delta_charge_hirf/delta_charge_hirf/delta_charge_hirf/delta_charge_hirf#dipole_hirf%dipole_bader)layer_distance#dipole_hirf%dipole_bader)layer_distance#dipole_hirfz%dipole_baderx)layer_distancev#dipole_hirfq%dipole_badero)layer_distancem#dipole_hirfh%dipole_baderf)layer_distanced#dipole_hirf_%dipole_bader])layer_distance[#dipole_hirfV%dipole_baderT)layer_distanceR#dipole_hirfM%dipole_baderK)layer_distanceI#dipole_hirfD%dipole_baderB)layer_distance@)layer_distance7)layer_distance.)layer_distance%)layer_distance)layer_distance)layer_distance )layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)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_hirf2#dipole_hirf)#dipole_hirf #dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#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$#dipole_hirf#dipole_hirf#dipole_hirf %dipole_bader9%dipole_bader0%dipole_bader'%dipole_bader%dipole_bader%dipole_bader %dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader%dipole_bader|%dipole_baders%dipole_baderj%dipole_badera%dipole_baderX%dipole_baderO%dipole_baderF%dipole_bader=%dipole_bader4%dipole_bader+%dipole_bader" a%'M<W@v?.!@2%~?`ü@.4 @Á,`?&Kz?zG$@KTo?C+ @vöE?],σ?Gɫs @a_Y!@9@bg ׸@@"2?6>W[ @.!@ѩ+?wR~R?.4 @@He@zG$@!vyC+ @uT5A@],σ?Gɫs @F?B 3m@ h"l@jMK @: @[[@,C?x&1 @x&1?g~5@vy$@h㈵%#gaO?[Ɏ@Zd@Gɫs @,@-C6*?@|y@OGɫ @ZӼC@|~?&p %@pӰ@C+ @uݰ@],σ?Gɫs @L<@\@y @)Wx@VI @&S@8@.V`?OGɫ @m@8̒@@&p %@Nz1@C+ @!@],σ?Gɫs @yZ@-&6@@DL$z@Z*oG8 @^2@PC!@<,Ԛ?Z @g?@"@->x$@bbq@%#gaO?=>@Zd@Gɫs @,E|@)[Z @H0[@k, @++MJ?^.;1+@}"O@(@9 {ڱ @ڧ1#@=Ifͦ?6;N%@p= @33333 @ T&@q?w$@Y jƄ@V|9@vasp{}h|Csh|CsNZ7??/fK?`?VΆ?,p71$'Sg?@IZ(iD-ͭv{G ? `5! <}b٥?ڊeAǘX#ؙB5?E^Ӄr?/fK?6ڋh;?!u|, O?}ƅ!y@IJCBy}r{G ?&+_ Pjb}b٥?HK`s Mr?X#1]a¼Ǚ& ?y?^?Pl?ڦx\vӂw13?FSwe?l[{?|` mPm(֩=#aq #070ʼnvt~ NanrD2zk?k?D6.6?5_% rhΧuzU?%n? rha?@he@;i Z+?&[X7~?x&4I,)˿$@?ԅ?!J?'?Su8Jk¿O@?'3ތf(ϼUG|?j+??Qٰd?"l%䃞ͪ"jGOV?Q,?mWel?!J?fh<?V&5?k¿J>\;Bu?3ތwM"4j+?H}MZm"l"ߢCp\M OV?Y"{Lq?^f(?AG{?| Vj-Քd}@puʣaQa?e?lɪ7Y?q74eԥ14p>uRzn.'?ds {"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -195.876, "absorption_energy": -21.236, "layer_distance": 0.965, "delta_charge_bader": 0.887, "dipole_bader": 4.109, "delta_charge_hirf": 1.411, "dipole_hirf": 6.538, "index": "(111)", "absorped_atom": "N", "absorped_pos": "h1"}{}1?Ծf.#?P=@5b#@nzH `&'M<"Db?s@h:; @PN?hn?W[$@KTo?C+ @vöE?],σ?Gɫs @&䃞!@ ףp=@~nض@70?:ǀ @@+@Zd@Gɫs @@yS@\wT@z@w;S?"@c]K@ؙB@_L @ AJ@d?L$@bbq@%#gaO@̴++'@q?w$@Y jƄ@V|9@vasp{}h.%u!h.%u!8TԴi?r ?*A*Ş?s//? "Dti?{ʄe6|?c:⮦?h,{p\M 4o{m]!sePmp?Lg?kծ?P( ?w'-\?ur !`?Vf\?ÜM7w?ti?NtsV{ c:⮦?9*7QKs{b*ߣ{m]X!6>4a?Ap-NLnA@JޮuJói?ZF=~?jq?;%8R ( 4\&{G\~l?:œ?̿?=x ~{ڕ6\䞮?)h?ߠ?K?wt? ?kM.ާ?yCn[? x#O?Z.S\E^Ӄr?@Û5x_e?"[DA'K툿m㛿{b?0-a? y?k?"tu?Q¿BBjLT?#sx#{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -193.454, "absorption_energy": -21.515, "layer_distance": 1.459, "delta_charge_bader": 0.688, "dipole_bader": 4.82, "delta_charge_hirf": 0.625, "dipole_hirf": 4.381, "index": "(111)", "absorped_atom": "F", "absorped_pos": "h2"}{}1?Ӑ+?Z<@5b#@i KW+ rI! x W <  ^ B !  h J (  S 2  q I d;jI.rP4#dipole_hirf@tj~./delta_charge_hirf?l.%dipole_bader@ I^5.1delta_charge_bader?vȴ9X.)layer_distance?nO./absorption_energy6`A7L.)Eabsorption_structural_energyhiV.%=adsorption_atomic_energyE.&?adsorption_surface_energyepn.#dipole_hirf@$/-/delta_charge_hirf?xF-%dipole_bader@vȴ-1delta_charge_bader?-)layer_distance?p =q-/absorption_energy6 ^5?}-)Eabsorption_structural_energyhY-%=adsorption_atomic_energyE-& ?adsorption_surface_energyepn- #dipole_hirf@o, /delta_charge_hirf?nP, %dipole_bader?zG, 1delta_charge_bader?vȴ9X,)layer_distance?S,/absorption_energy5C,)Eabsorption_structural_energyh6G{,%=adsorption_atomic_energyѩlD,&?adsorption_surface_energyepn,#dipole_hirf@ =p +/delta_charge_hirf?-V+%dipole_bader?֧-+1delta_charge_bader?&x+)layer_distance?-V+~/absorption_energy5+)}Eabsorption_structural_energyh. I^5+%|=adsorption_atomic_energyѩlD+&{?adsorption_surface_energyepn+z#dipole_hirf@/v*y/delta_charge_hirf?GzH*x%dipole_bader@zG*w1delta_charge_bader?^5?|*v)layer_distance?vȴ*u/absorption_energy6mhr!*)tEabsorption_structural_energyho;dZ*%s=adsorption_atomic_energynP*&r?adsorption_surface_energyepn*q#dipole_hirf@e`A7L)p/delta_charge_hirf?-V)o%dipole_bader@R)n1delta_charge_bader?E)m)layer_distance?o)l/absorption_energy6S))kEabsorption_structural_energyhl1&y)%j=adsorption_atomic_energynP)&i?adsorption_surface_energyepn)h#dipole_hirf@\((g/delta_charge_hirf?E(f%dipole_bader@hr (e1delta_charge_bader?o(d)layer_distance?o(c/absorption_energy5+()bEabsorption_structural_energyh!$/(%a=adsorption_atomic_energy"`A(&`?adsorption_surface_energyepn(_#dipole_hirf@+ J'^/delta_charge_hirf?䛥S']%dipole_bader@t'\1delta_charge_bader?zG'[)layer_distance?n'Z/absorption_energy5x')YEabsorption_structural_energyh/;dZ'%X=adsorption_atomic_energy"`A'&W?adsorption_surface_energyepn'V#dipole_hirf@$/&U/delta_charge_hirf?&T%dipole_bader@GzH& `''M<@ / @ )?v{@HPs$@KTo?C+ @vöE?],σ?Gɫs @&!@'†W@ ^@)D/?V}b @"7 @_$\?(rw? / @鲘|H.@HPs$@!vyC+ @uT5A@],σ?Gɫs @?5^I?ME*@f2}@odt䛭 @HQ @ME*@:ǀ?(\ @?W[?u@y)$@h㈵%#gaO?[Ɏ@Zd@Gɫs @nQ׻?@Ӈ.o@&pn~ yǩ?hs@jM@0@׻?޻ @Y/rZd@,g~$@ܝ.@%#gaO?vꭁ@Zd@Gɫs @A&9@d,@bg @(@i?iUM@Ù@6@=U @խS@&pn?Uj@+$@pӰ@C+ @uݰ@],σ?Gɫs @Qy@"@bg @G@ D @iUM@`q8@Q?=U @Ԃ}@c*_@Uj@+$@Nz1@C+ @!@],σ?Gɫs @= @sF@~:3P@IZ@=U @ '@8̒!@nS?7ُ @:#J{@V@L$@bbq@%#gaO?=>@Zd@Gɫs @{1@͍ @@%@=>t??:u@(\@H.!@?5^I @([Z @#?W}$@hs@~ @o'@q?w$@Y jƄ@V|9@vasp{}h/>h/>َw)uɘ?ZÙ?:R?2V?"]?XE|@3is{S?·g iUMuo?IpPUX6?ul瘿tw hW? U1~‰\U]7M0k?%<y?~^?]7?SςPǁ?0ҋ9% &Bn?ӄ'c|xN(D!T[ |{V0= $}Z?i6`h^^-c}?oB!ti@?A_zħHH-?UN{JΉ?s)?nUf?ytk;ŪAh_g?Qԙ{H?i?:u<,;co}]2|?R臭l?U謹5\䞞hej# XƆ¿ng_ynۧ1?{ʄɐcY?t?+PO?Oqx:}kϤ @?Ozю])ʥ? 7櫤:;E|'f?!J~O#-#ls{EAp-nG-y<-?pמY?IICs5>s?ۈ'l]j~lɪ7.5B??xZ?V̿I*S̩*nb%*?v6ħ?À%W?5?zm6Vbeխc?Û5x_?v?臭s?(dmlv|S:?c?=}qrg?QOIҭ?e '?.?Qٚ?9?ʓ?ՃF?ڷvN?S9P[??+{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -193.476, "absorption_energy": -21.537, "layer_distance": 1.422, "delta_charge_bader": 0.69, "dipole_bader": 4.709, "delta_charge_hirf": 0.644, "dipole_hirf": 4.397, "index": "(111)", "absorped_atom": "F", "absorped_pos": "h1"}{}1?\}c??ٵ@5b#@i _('M<@Zd@Gɫs @SW>@z,C@_{fI@oŏ@1PN?Gz@Zd;@&@$zŲ @ٔ+@jM?eX$@(yu@E 2@q](@q?w$@Y jƄ@V|9@vasp{}h!؎h!؎[v*,|Bvf? ͩ?ǁW˝?'C?<͌~4|_#Ip;?ŏ1w-!O?8ӅXA?5A}Rkබtg]M`X|[?Tqs*Y? -M?fba"^FrL4HSeꫫ???!쩿&jjZT^ PAf线&UMM?=eYJ?]7̿X6sH?'IL?^b,/?n,( ?xy:WILP÷¿MP?BDq+}6w\&cFx{\?A^)~?%?bc^G3⩗o{UzI?d˒?^b,/?,?nHs %? b1!撢o{?稣j?OZ–?O?rQ-"+? /HM?dxgno>_`V(|?X|?ujtbD?J{dsuIOZej!?p'v?-v?稣j?$?ԕςӾz܇?3ތzdxg1{vAs׎X|?N:7۞?bD?Yd:tW?ej!óUVF?H. ?0CU{ٓ?I\@tA}@\m@vi?W> @@9d?Ϡ?B @֭7%P6@9]$@!vyC+ @uT5A@],σ?Gɫs @&6׆?ϽK@@j'@nhW @KTo @@@YB?*Wx @HIOG?Q@x $(~$@h㈵%#gaO?[Ɏ@Zd@Gɫs @t^c:?m@@j'@"uqt//?KTo @_@ @*Wx @rZ| y]@x $(~$@ܝ.@%#gaO?vꭁ@Zd@Gɫs @:}k@/nR?wJ@9]@ƅ!Y?iƢ @@"2@G`@u @/@7qrC@k)$@pӰ@C+ @uݰ@],σ?Gɫs @JY8@YLl>@7l[@YLl>@vۅ @UD @m@:M ?(IL @8P@T5A}@%@Nz1@C+ @!@],σ?Gɫs @Z!@`<@3.@%@P}: @y#@g?R!@ y?= @d@)\@n2d%@bbq@%#gaO?=>@Zd@Gɫs @}˜.@)3@3.@{专@47?y#@K@(,񀲩@= @M@ ?n2d%@( @s`@4ctF'@q?w$@Y jƄ@V|9@vasp{}hl $hl $ل!Ugْi2?ɋL? >?jQL?FT=oN)]bt?Et?$,h?h>nKF@?]9s?ӹph>?TN?{,}肪F]kSU.S?ާА'@jqWs`U~>qxԘsIF$ -?R{mDŽ?rkr]?IVяv5yjPeo)?{jg렿?L!%oFW?1cg]J]27n1?7GjW^"kfW~?q„q?rSrNg)YNr5+-#EKOΤ?Tb?fIZ̿6=((E+eM.Cp\M ?F\?SV?^a?+`pmJ4a-?"ualXSYT_vj.7XV&5m?`?sf1?74ex)u8FJCBbyS ?xcAaPqM?%Z?q{c?MG7ÿq@H&Q?! .Ћ6h?EJY?FENՕ º}F?9z~dJ>Ȣ?]~p?Gsd嗡?M?u? ?? `-MG7ÿɧǶ ?/-|!릔w?-vEJY??74e;f_}F?\56?>Ȣ?τ&%妿,oX|[Td-3?f@? u~C?wIdD?b_ R?C{\)V??I {"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -195.376, "absorption_energy": -22.328, "layer_distance": 1.102, "delta_charge_bader": 0.936, "dipole_bader": 4.955, "delta_charge_hirf": 1.011, "dipole_hirf": 5.349, "index": "(111)", "absorped_atom": "O", "absorped_pos": "h2"}{}1?Wk?3-d@5b#@il A +dA)kL) s S 4  n [ ;  v j V C #  p ^ R > +(%absorped_pos.''absorped_atom. &index.%#dipole_hirf.$/delta_charge_hirf.#%dipole_bader."1delta_charge_bader.!)layer_distance. /absorption_energy. Eabsorption_structural_energy.=adsorption_atomic_energy.?adsorption_surface_energy.%absorped_pos-'absorped_atom- index-#dipole_hirf-/delta_charge_hirf-%dipole_bader-1delta_charge_bader-)layer_distance-/absorption_energy- Eabsorption_structural_energy-=adsorption_atomic_energy-?adsorption_surface_energy-%absorped_pos,'absorped_atom, index, #dipole_hirf, /delta_charge_hirf, %dipole_bader, 1delta_charge_bader, )layer_distance,/absorption_energy, Eabsorption_structural_energy,=adsorption_atomic_energy,?adsorption_surface_energy,%absorped_pos+'absorped_atom+ index+#dipole_hirf+/delta_charge_hirf+%dipole_bader+~1delta_charge_bader+})layer_distance+|/absorption_energy+ {Eabsorption_structural_energy+z=adsorption_atomic_energy+y?adsorption_surface_energy+x%absorped_pos*w'absorped_atom* vindex*u#dipole_hirf*t/delta_charge_hirf*s%dipole_bader*r1delta_charge_bader*q)layer_distance*p/absorption_energy* oEabsorption_structural_energy*n=adsorption_atomic_energy*m?adsorption_surface_energy*l%absorped_pos)k'absorped_atom) jindex)i#dipole_hirf)h/delta_charge_hirf) _*'M<??>d@2 {@a-ʬ @hU @z@9]?t{Ic @~j?]zk@ʄ_$@h㈵%#gaO?[Ɏ@Zd@Gɫs @Mb@\4@ ҌEӹ@/ ҌEi:;?iƢ @F?@(yu@]ʻ @XV/@?'I$@ܝ.@%#gaO?vꭁ@Zd@Gɫs @˄_@[tY@[%Xμ@i5$@^x?4@@SW@W}W @+ݓG@ܝ.??m %@pӰ@C+ @uݰ@],σ?Gɫs @N(D!@>x@[%Xμ@҇@!Y @4@bbq@1_^}t?W}W @K@:H?@?m %@Nz1@C+ @!@],σ?Gɫs @]wb֫@;S@ec]@,}@ī @x @ T!@mnL?- @VC@6v@W}W$@bbq@%#gaO?=>@Zd@Gɫs @0|DL@|'f@<,Ժ@҇@=Ͻ?t// @cE a@k)@%̴+ @"u@^T? .V%@_YiR@Uy @Ͻ7'@q?w$@Y jƄ@V|9@vasp{}ho8vHܓho8vHܓJU?JƢ?l?I ?|?SW>BwIQc5k?xF[Dr?%:z(XQi?{ȭRxФْU?O9&Ke%˶ֈME*-?'*tl?Am?[d8?SW>l\|?F}{xF[DuʣkՔd}?(XQi?T[rq!FVْU?=M qv˶ֈp>;ສ_`ݞ)Xl?Q+?聏?S?>[{c?;~V?qR8?f}?;2t?=UO;5YnɋLa+Xڠ;ŪAۍם Yݚ?{ȭ?JCB?~tgy?eÿ~P)dU6o|? Į햿PۆQplf UܸŌ?3KԂr#D}Az|?30&"Twݗ3?k=߆f\ ?F"4mrrJ@L±֦V#fF?J$`tysvuoEbJY+>O'S.9(acḌhx1!? ҅?dwWͿND~Zd;?%I(}!?z6>?o +?GR{QZa/D Y٦?*T7ۃ? Įv?piݦeS.?  ?5D ovp?a/? %S;ÄĖMd? 4\?ó@|?戣?!8?F%D?pmQ?MaV?>2E1{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -195.476, "absorption_energy": -22.428, "layer_distance": 1.069, "delta_charge_bader": 0.929, "dipole_bader": 4.77, "delta_charge_hirf": 1.08, "dipole_hirf": 5.546, "index": "(111)", "absorped_atom": "O", "absorped_pos": "h1"}{}1?Ku?|@@5b#@il `+'M<@Zd@Gɫs @`vO@A4F@?@mJ@7d?)A&@XV@|,}肺@Q @5o@x $(~?F$@$\K@a4o@;%.'@q?w$@Y jƄ@V|9@vasp{}h. Yh. Y ~쁦}!?Qԙ{H bk%"ܼ:6U+mz`d%TpxA?8c?ۢ?$?z"0֧?SVӵ?4)?]P2?9#J{iVy˅?Tqs*y?HO?a)?vrs?`5!}"Or?Fҿ$e?\$??ڧ1e?/CX?R M]/MA"`泿 ѧ@H0FT=ǿN*kg؞Y?B!J?St,_??aQ¿!J.?ƟlX?j1xͥ_:Ts\mOd*g?(?H.ٖg)Y?g uJ>YUp$`S?m6VbB!J?p?zюaQ¿0H?E^Ӄrj1xͥ`VCK_?d*g?@Pvۅ?ٖg)Y?`=[:Ru?YU mnJy|?ۻѓ2?T1ÿ1$' X歺Մ=e5]Ot)7Ӆ?= NP|?&P"?l#fF?"ߚ?p\M 4?>?5>?lBZc ׻??v?^?ڮp?~jtc?bT4֎ 8KrB_L5 Z+ڸ?/lV^?Xۼq?(r\?bFx{P?9x&4IMbX?TC?^I\ǿBF7vݑڴ?2?֪}?YvQ?$' bĿ\qqTnfS?+mqdY?Zy?bJ$(fI'1闈?DJ?˻󸿇5Ea? Q?Wel访2?.ҥ?u]$' bĿ Rr?̲'9+mqdCpy?y?7n"1A ߢ?1闈?z0q3bb?5Ea?cz(k [_EJC?w??"?yI6s?RH1L?##E8{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -193.439, "absorption_energy": -21.647, "layer_distance": 1.106, "delta_charge_bader": 0.067, "dipole_bader": 0.354, "delta_charge_hirf": 0.943, "dipole_hirf": 5.01, "index": "(111)", "absorped_atom": "B", "absorped_pos": "h2"}{}1?S@\6?wÊ@5b#@ 7Kƨ ~AxgVE4#yhWF5$|L } r g \ Q F ; 0 %    u j _ T I >qA +   m Y E 1  } i U A -   y e Q = )  ] index&#dipole_hirf%)layer_distance! index#dipole_hirf)layer_distance index#dipole_hirf )layer_distance index#dipole_hirf)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distancey)layer_distancem)layer_distancea)layer_distanceU)layer_distanceI)layer_distance=)layer_distance1)layer_distance%)layer_distance)layer_distance )layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)layer_distance)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 index index index index index index index~ indexr indexf indexZ indexN indexB index6 index* index index index index index index index index index index index index index index indexv indexj index^ indexR indexF index: index. index" index index #dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf}#dipole_hirfq#dipole_hirfe#dipole_hirfY#dipole_hirfM#dipole_hirfA#dipole_hirf5#dipole_hirf)#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf#dipole_hirf a,'M<@Zd@Gɫs @񘁊@ 3m@#~j@Ȱ7@ T?_5!@IL@]C@ @oe1@Af?wg$@E>@S @eS>'@q?w$@Y jƄ@V|9@vasp{}h6^h6^`.?h^?Bus?$P)Wx?YE2: vR?kc섗?YԷh?ӄ'c|x8Mp]? ܡ^D1u&WMa?3O)ى]¡xx1`U,~6 \?-uד?Bus?kЗ?k}ЖsYEPC?FYq>?nǺv?8Mp]?/C?؀q}&WMa?O۠ͮ{+r?1`U,~R@r{$B#ظ?]?we?؞Yv?Avs"~ f@a+?=?j?6;Nёa0eTqs*YSȕz\&r?6pd?@OI6ُ@dȱa +?G:?RG.?TWyaxPkwlǜgK6>?:*h?[[%X\?+POb)@̘5yhF =b?<Y?̿gҦ٬? ?8, ?i?5f+~7)r9?[;藿}"OUZ n?s?y!t?X zR&5?5o=^H<;k?`$?7e?8, ?-3{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -193.715, "absorption_energy": -21.924, "layer_distance": 1.163, "delta_charge_bader": 0.062, "dipole_bader": 0.345, "delta_charge_hirf": 1.282, "dipole_hirf": 7.158, "index": "(111)", "absorped_atom": "B", "absorped_pos": "h1"}{}1?hiH?g~@5b#@ 7Kƨ ^-'M<"D?#b@?Ŋ@ySh @@Dl@D!T?{/L @ek?m4@9}$@h㈵%#gaO?[Ɏ@Zd@Gɫs @̌@oӟHY??Ŋ@ K@Zd@Gɫs @( <@'"@^K=@n/i@Υ?B"@S.@/񝘵@ @N#E@L2r? %@eM@%q@od&@q?w$@Y jƄ@V|9@vasp{}hYghYgh.KR7ܘu]?>tA}˴E2+A:vٯ"X q75?4?_ ?Þvk?.5?/ ?"4?cϞˬ?9ȱF??ȷw {?"DR? PS?9x&4I}гYzȮԋaq6? [v?W"$wDf?^1 O!}Z?[1е)nE?s)*?hUMN@ao%;6?^9x&4IhȎd?HR?aq6?efb10&?$wDf?&br} ~1[&pn v?N1n/iTN{Ŀ ^" l; Ln?\{?J= By?e~?o& ?8ㆿc?0/>:u?(N>_v?Oyt#,*?^sa?vS? Tƿϸ?RcB%Uڐfx_Qk ]?nRa|(Bvuʣ[OՐǶOVΆ\Bt*]? 2t?u>+?u:꫿PĿ=@̆?_>Yю~78c"[Aӂ?+pW?gzL\¤? ?u6N?V/'?^o%;?Zm?n;2V6D??b`#B&?# _ ?s ~?Q$+M?҆{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -194.8, "absorption_energy": -22.038, "layer_distance": 0.92, "delta_charge_bader": 0.625, "dipole_bader": 2.763, "delta_charge_hirf": 1.592, "dipole_hirf": 7.036, "index": "(111)", "absorped_atom": "C", "absorped_pos": "h2"}{}1???@5b#@p ě a.'M< @HQ @xZ@ep:?v @J +?C+@0$@h㈵%#gaO?[Ɏ@Zd@Gɫs @Tt$@MbP?-Ľ@iUMu?F=D?٬\ @Zd;@eN@k) @=s@ʾ+$@ܝ.@%#gaO?vꭁ@Zd@Gɫs @d@*g\8`?@ޫV&@4@5l? B @H|@6~@ @IK@SW>@C9Ѯ%@pӰ@C+ @uݰ@],σ?Gɫs @,)@ B@@ޫV&@=@=U @ B @q>?@g?RD? @\m~@B=@C9Ѯ%@Nz1@C+ @!@],σ?Gɫs @hU@u7Ou@_{fI@ @}"O @Oz1@a!@ ҌE? y @Nz1@Mb@~T$@bbq@%#gaO?=>@Zd@Gɫs @ y@ D @ʸ@U+@G?d,@/'@GȰ@}yѹ @{ʄ?@s)*?H%@$]3&@ @&@q?w$@Y jƄ@V|9@vasp{}hi_Bhi_B4)^?,?qŦ?e9 /l͑_?kMG7vq -`~@?|~!De?F?F ek=&R͓?OsL`R||B?SͬP>¡2t젶y?01"Qh?qŦ?]?49AkMG76` ?q_!|~!ºȈ ({?=&R͓?mXw?O9& fLj?2t젶eYJ zeȱ ?g٢?Õ?/$e?)wʼn|}Ң>?=?y7v?vSDzu݁ѭtaod^4GV~QMqEgE( ؞?=x?뉮??b (BveW\YʩajK]?hK6l?+t?ap$ -*샜^HTkaډ?-s}?3˿ iA'?ynU?JbI?Xo ?~sanr+hZbe4?7wt&m!O!Wꉿ1|z?'OYM?CM^H?Ie9:z?S?HK?,{ؤ?JbI?p?uRz?anr _?; ?t&mRG -'OYM?0&>wd6Ie9:z?d!:Z_$匿?ܙ s̯4}vu?֍wGj?iwak?5Φ#o +]px)W{Vp?㊋rc?ppN\WX\T%RBè? [?bʿCi:Ȣ?"tuǢ?h#M)? zR&5?58EGroa}HQ?U]o?m?>*xgw?*wk?\7?܃/?oB!?obHN&n&{%9`Wё\C$A|6?<??D&qtB?@]_=P?#b.:??){"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -195.283, "absorption_energy": -22.521, "layer_distance": 0.971, "delta_charge_bader": 0.617, "dipole_bader": 2.876, "delta_charge_hirf": 1.559, "dipole_hirf": 7.269, "index": "(111)", "absorped_atom": "C", "absorped_pos": "h1"}{}1?9B: ?6|A$@5b#@p ě