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DS_ej5u0tuycoph_0
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DS_ej5u0tuycoph_0
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data/MD/7250/MD_1017911573083321941597250.json
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PO_5031443212724927096004057
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| 2025-04-16T20:58:52
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DS_ej5u0tuycoph_0
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VASP
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DFT-PBE
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data/MD/0850/MD_1173278969946306979170850.json
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| 2025-04-16T22:04:30
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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Fe2
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Fe
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A
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data/MD/5371/MD_3292972521125834823665371.json
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PO_5033089464927494417290736
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| 2025-04-16T21:23:51
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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CO_4664625250029579497802273
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Fe2
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Fe
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A
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/7911/MD_6294904956263745059137911.json
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PO_5055046137942908200857934
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| 2025-04-16T16:48:35
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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PO_1074779920908537932436609
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| 2025-04-16T21:37:17
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DS_ej5u0tuycoph_0
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VASP
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CO_1507357392934941457909000
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Fe2
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A
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data/MD/5681/MD_1066648419608603522295681.json
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PO_1074795046695677363963604
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| 2025-04-16T17:26:48
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
| -16.512159
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CO_1229450001908604258413403
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Fe2
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A
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data/MD/7068/MD_7303536706562919529707068.json
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PO_1074709164984534556770940
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| 2025-04-17T17:45:49
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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CO_9381577655311981369560058
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Fe2
|
Fe
|
A
|
[
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[
1
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[
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| 1
| 0
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2061/MD_7310310515901940144492061.json
| null |
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PO_1075993379211397166819367
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| 2025-04-16T16:29:51
|
DS_ej5u0tuycoph_0
| 1
|
VASP
|
DFT-PBE
| -14.188237
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[
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0.0000065991515722409414,
0.07220839476529409
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] | null | null | null | null | null | null | 1.151825
| 1.151825
| null |
CO_7038761891745952453275725
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7038761891745952453275725702613202915854047535413133299180897888716287155612117110094373242885025870841503197420956899502965613621063079697223767486123372
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[
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true,
true
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Fe2
|
Fe
|
A
|
[
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[
1
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[
26,
26
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0423/MD_4905203614236222309620423.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_5062961760776467601594600
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5062961760776467601594600351496503927923978101250024246723896995971900226887629785835010298247358383853185797401819544340314895166474090577492245688598988
| 2025-04-16T20:22:06
|
DS_ej5u0tuycoph_0
| 1
|
VASP
|
DFT-PBE
| -14.346171
|
[
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| 1.388217
| null |
CO_3050271781740565213363269
|
3050271781740565213363269968711942148694777692903110282629990676130516818824813336022525879867059101862758574426477905763280706893513652705586308023179253
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[
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true
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Fe2
|
Fe
|
A
|
[
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[
1
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[
26,
26
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| 1
| 0
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5657/MD_4051789273850764923395657.json
| null |
{"spins": [[1.8755609827462287, 0.625412882220696, 0.6024864082773967, 0.49585164575042395], [1.8755609827462287, 0.5321074650095947, 0.5576998080160682, 0.6371427060986631]], "hash": "4051789273850764923395657846516934114243558680191215337184718065980658961516314764902169388167258753779564250485071338385499161147238373471784957547356478", "id": "MD_4051789273850764923395657"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_5072410597492122291267108
|
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| 2025-04-16T21:29:37
|
DS_ej5u0tuycoph_0
| 1
|
VASP
|
DFT-PBE
| -14.215909
|
[
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0.0005266162594367822,
0.01816208275558372
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] | null | null | null | null | null | null | 1.646078
| 1.646078
| null |
CO_6215594961893602002615891
|
6215594961893602002615891672000237029878902689893449220201277908531039126095017892647898396946511946666528453090307344938678995601465838473771350255104609
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[
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[
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[
true,
true,
true
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Fe2
|
Fe
|
A
|
[
"Fe"
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[
1
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[
26,
26
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3709/MD_8502674204680774619843709.json
| null |
{"spins": [[1.712, 1.0, 0.0, 0.0], [1.712, 1.00058411215, 0.0, 0.0]], "hash": "850267420468077461984370914845053631435084939465989429291158749383693279611572690652987378533103722167697456714396845060192474238954661140717845999801428", "id": "MD_8502674204680774619843709"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_5082066856359467921220378
|
5082066856359467921220378757928707460317668158925975583980354391652362095626352603811729065774175076183298572521441928172732144624919151957519151352719782
| 2025-04-16T21:27:46
|
DS_ej5u0tuycoph_0
| 1
|
VASP
|
DFT-PBE
| -15.872667
|
[
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PO_5086952472772138915454819
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DS_ej5u0tuycoph_0
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VASP
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DS_ej5u0tuycoph_0
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DS_ej5u0tuycoph_0
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DS_ej5u0tuycoph_0
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DS_ej5u0tuycoph_0
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| 2025-04-16T21:35:56
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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data/MD/3871/MD_1262067372009588039253871.json
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| 2025-04-16T20:35:19
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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DS_ej5u0tuycoph_0
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VASP
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A
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PO_5102846527471394172449219
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| 2025-04-16T16:44:56
|
DS_ej5u0tuycoph_0
| 1
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VASP
|
DFT-PBE
| -15.207926
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DS_ej5u0tuycoph_0
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VASP
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DFT-PBE
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Fe54
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A
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PO_5128572240943567323854332
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| 2025-04-16T18:57:08
|
DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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PO_1080194493379675966741259
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| 2025-04-16T18:22:48
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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Fe54
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A
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PO_1030780012267764562405589
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| 2025-04-17T18:37:27
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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Fe2
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A
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PO_1080711704325366130546079
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| 2025-04-16T17:41:42
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DS_ej5u0tuycoph_0
| 1
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VASP
|
DFT-PBE
| -426.712369
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Fe54
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Fe
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A
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data/MD/4660/MD_9458992802396708723504660.json
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PO_1030328627759499548699893
|
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| 2025-04-16T21:38:17
|
DS_ej5u0tuycoph_0
| 1
|
VASP
|
DFT-PBE
| -11.184934
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[
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| 11.348442
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CO_6139372508631123454273765
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Fe2
|
Fe
|
A
|
[
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[
1
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| 1
| 0
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/9498/MD_2926488229563879921809498.json
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PO_1030342373791839504134098
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| 2025-04-16T16:47:26
|
DS_ej5u0tuycoph_0
| 1
|
VASP
|
DFT-PBE
| -13.840895
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[
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| 3.441602
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CO_3259813143425047343382187
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Fe2
|
Fe
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A
|
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[
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[
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| 1
| 0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3447/MD_2191222876660042860303447.json
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PO_5165534040233211943836827
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DS_ej5u0tuycoph_0
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VASP
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Fe2
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data/MD/0918/MD_2000784127347015246170918.json
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| 2025-04-16T21:37:22
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DS_ej5u0tuycoph_0
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VASP
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DFT-PBE
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CO_1036207035448693583546094
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data/MD/1803/MD_1058110868060773322921803.json
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| 2025-04-16T15:44:22
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DS_ej5u0tuycoph_0
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VASP
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A
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data/MD/1738/MD_2896061714741876389511738.json
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| 2025-04-16T16:54:34
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DS_ej5u0tuycoph_0
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VASP
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Fe2
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data/MD/1675/MD_1202477105999715020741675.json
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DS_ej5u0tuycoph_0
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VASP
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DS_ej5u0tuycoph_0
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data/MD/7374/MD_6091467252907688462167374.json
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PO_1081609294697796250151347
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| 2025-04-16T21:52:07
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DS_ej5u0tuycoph_0
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DFT-PBE
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data/MD/9595/MD_1137225092950497273019595.json
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| 2025-04-16T16:55:24
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DS_ej5u0tuycoph_0
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Fe2
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data/MD/8716/MD_8455564063707532172468716.json
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PO_1083209851670157194371744
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| 2025-04-16T16:55:24
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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Fe2
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A
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3056/MD_9876781873076353244113056.json
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PO_1082813571869124186462553
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| 2025-04-16T21:43:16
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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DS_ej5u0tuycoph_0
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DS_ej5u0tuycoph_0
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VASP
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DS_ej5u0tuycoph_0
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VASP
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DFT-PBE
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| 2025-04-16T17:55:11
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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DS_ej5u0tuycoph_0
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DS_ej5u0tuycoph_0
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DS_ej5u0tuycoph_0
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DFT-PBE
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Fe2
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A
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PO_1032574549558915310868010
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| 2025-04-16T15:40:09
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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| 2025-04-16T19:56:37
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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DS_ej5u0tuycoph_0
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VASP
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Fe2
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A
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/1765/MD_3088826205723981262841765.json
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PO_5199096225743252489574559
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| 2025-04-16T16:06:08
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DS_ej5u0tuycoph_0
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VASP
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DFT-PBE
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DS_ej5u0tuycoph_0
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DS_ej5u0tuycoph_0
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DS_ej5u0tuycoph_0
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data/MD/3784/MD_3424178109483156486143784.json
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DS_ej5u0tuycoph_0
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VASP
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data/MD/0121/MD_5070573604067971078060121.json
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| 2025-04-16T15:44:09
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DS_ej5u0tuycoph_0
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data/MD/4248/MD_2385989424608057333104248.json
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| 2025-04-16T15:45:50
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DS_ej5u0tuycoph_0
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Fe2
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/5581/MD_2074861234743439696425581.json
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| 2025-04-17T18:37:27
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DS_ej5u0tuycoph_0
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VASP
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8571/MD_1258773352873579042328571.json
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PO_1087484405533489618606444
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| 2025-04-16T18:13:31
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DS_ej5u0tuycoph_0
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VASP
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DFT-PBE
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| 2025-04-16T18:24:27
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DS_ej5u0tuycoph_0
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VASP
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| 2025-04-16T18:47:56
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DS_ej5u0tuycoph_0
| 1
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VASP
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DFT-PBE
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Fe2
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PO_5249272286530719100290152
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| 2025-04-16T21:43:25
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DS_ej5u0tuycoph_0
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/2198/MD_1141243318702855396632198.json
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PO_5239337356065141604096275
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| 2025-04-16T18:08:56
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DS_ej5u0tuycoph_0
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VASP
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DFT-PBE
| -430.619154
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8192/MD_1339095482412052957598192.json
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