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2025-04-16T20:04:47
DS_q4h7q8q0fnve_0
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2025-04-16T17:25:18
DS_q4h7q8q0fnve_0
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2025-04-16T21:23:51
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2025-04-16T17:20:25
DS_q4h7q8q0fnve_0
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2025-04-17T17:35:57
DS_q4h7q8q0fnve_0
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2025-04-16T16:07:30
DS_q4h7q8q0fnve_0
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DFT-PBE
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[ true, true, true ]
Ag23
Ag
A
[ "Ag" ]
[ 1 ]
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23
1
0
[ 0, 0, 0 ]
[ "Ag_iter_all_Ag_iter0_1260_0_mp-989737_vacancies_Vac_0_12" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/2459/MD_7369907572514802664472459.json
null
{"materials-project-id": "mp-989737", "temperature": 1260, "hash": "7369907572514802664472459792656479822350432190284584914985299482512071508250441675821061406089948279795071975091192420951258952297780368277524012689188713", "id": "MD_7369907572514802664472459"}
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PO_3696212691561913541764493
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2025-04-16T20:49:43
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
-163.051407
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[ true, true, true ]
Ag64
Ag
A
[ "Ag" ]
[ 1 ]
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64
1
0
[ 0, 0, 0 ]
[ "Ag_iter_all_Ag_iter0_1260_4_eI8KAHKA9NeQjf48uVhI3OmTw2An_elastic_B222_dist03_11_6" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9689/MD_7937089555795707578009689.json
null
{"temperature": 1260, "hash": "793708955579570757800968982051693420000843082157434399235740643094350109414342465319324642664231091423434192389540113951748090679376932895685941263591506", "id": "MD_7937089555795707578009689"}
{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
PO_3696578614586197028195959
3696578614586197028195959493004382772856367087696870944960567987464826043637526204449986512750248742195675446350557332401826881054900673343254751379085413
2025-04-16T15:14:08
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
-63.169361
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/9306/MD_1303153961966051304389306.json
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2025-04-16T21:14:40
DS_q4h7q8q0fnve_0
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data/MD/0361/MD_1328667921261992109900361.json
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2025-04-16T17:21:07
DS_q4h7q8q0fnve_0
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2025-04-16T20:47:06
DS_q4h7q8q0fnve_0
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2025-04-16T21:12:08
DS_q4h7q8q0fnve_0
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data/MD/2459/MD_7369907572514802664472459.json
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DS_q4h7q8q0fnve_0
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Ag33
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0032/MD_1901264063649552057980032.json
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PO_3707201430784863769453842
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2025-04-16T21:30:02
DS_q4h7q8q0fnve_0
1
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DFT-PBE
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Ag31
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A
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0032/MD_1901264063649552057980032.json
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PO_3707349693913525409366092
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2025-04-16T17:17:43
DS_q4h7q8q0fnve_0
1
VASP
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2025-04-16T20:17:40
DS_q4h7q8q0fnve_0
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2025-04-16T21:30:02
DS_q4h7q8q0fnve_0
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2025-04-16T17:26:05
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2025-04-16T17:18:49
DS_q4h7q8q0fnve_0
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data/MD/9689/MD_7937089555795707578009689.json
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PO_3724934147677830354900830
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2025-04-16T16:56:41
DS_q4h7q8q0fnve_0
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DFT-PBE
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Ag31
Ag
A
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31
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data/MD/0665/MD_8328333280534599668480665.json
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PO_3730126654948260094091376
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2025-04-16T15:44:34
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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Ag4
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A
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4
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0662/MD_1132670352840213955900662.json
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PO_3727531004094319193468886
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2025-04-16T16:26:36
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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Ag8
Ag
A
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8
1
0
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2025-04-16T20:07:31
DS_q4h7q8q0fnve_0
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2025-04-16T16:22:41
DS_q4h7q8q0fnve_0
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2025-04-16T20:34:49
DS_q4h7q8q0fnve_0
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2025-04-16T17:27:48
DS_q4h7q8q0fnve_0
1
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DFT-PBE
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data/MD/9689/MD_7937089555795707578009689.json
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2025-04-16T16:10:07
DS_q4h7q8q0fnve_0
1
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2025-04-17T17:45:49
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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PO_3269299514424392817879014
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2025-04-16T21:52:07
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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Ag64
Ag
A
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/9689/MD_7937089555795707578009689.json
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2025-04-16T19:57:50
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0665/MD_8328333280534599668480665.json
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DS_q4h7q8q0fnve_0
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2025-04-16T15:43:10
DS_q4h7q8q0fnve_0
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2025-04-16T20:10:30
DS_q4h7q8q0fnve_0
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PO_3282897907423153898654471
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2025-04-16T16:52:27
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0032/MD_1901264063649552057980032.json
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2025-04-16T17:32:52
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/9689/MD_7937089555795707578009689.json
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2025-04-16T16:52:26
DS_q4h7q8q0fnve_0
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2025-04-16T17:44:53
DS_q4h7q8q0fnve_0
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2025-04-16T21:12:44
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
102.160194
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Ag32
Ag
A
[ "Ag" ]
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/3246/MD_3607014462430280100943246.json
null
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PO_3313726947127389830511132
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2025-04-16T15:23:14
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
233.79393
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Ag32
Ag
A
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8417/MD_1212537137353939262048417.json
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{"materials-project-id": "mp-10597", "temperature": 315, "hash": "12125371373539392620484177675986181439536267581609580449775364043104365556564145989438289935191621476638138105568257359142784084669494018144587940715446536", "id": "MD_1212537137353939262048417"}
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PO_3293253213422114609556366
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2025-04-16T16:56:02
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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data/MD/4896/MD_9448874345651185153904896.json
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2025-04-16T21:43:16
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
-80.309669
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0665/MD_8328333280534599668480665.json
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2025-04-16T16:29:25
DS_q4h7q8q0fnve_0
1
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PO_3295261680016464325658995
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2025-04-16T16:30:42
DS_q4h7q8q0fnve_0
1
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Ag7
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PO_3312607912608944094874986
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2025-04-16T18:16:20
DS_q4h7q8q0fnve_0
1
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2025-04-16T17:44:43
DS_q4h7q8q0fnve_0
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2025-04-16T17:47:42
DS_q4h7q8q0fnve_0
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PO_3335300095026559891922107
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2025-04-16T20:33:21
DS_q4h7q8q0fnve_0
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PO_3349740651588202066998496
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2025-04-16T15:42:34
DS_q4h7q8q0fnve_0
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/3246/MD_3607014462430280100943246.json
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2025-04-17T18:26:41
DS_q4h7q8q0fnve_0
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/3246/MD_3607014462430280100943246.json
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2025-04-16T17:32:22
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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Ag24
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A
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2025-04-16T15:43:48
DS_q4h7q8q0fnve_0
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2025-04-17T18:26:41
DS_q4h7q8q0fnve_0
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2025-04-16T18:18:40
DS_q4h7q8q0fnve_0
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2025-04-16T15:18:28
DS_q4h7q8q0fnve_0
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2025-04-16T15:44:13
DS_q4h7q8q0fnve_0
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2025-04-16T17:31:22
DS_q4h7q8q0fnve_0
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2025-04-16T21:43:25
DS_q4h7q8q0fnve_0
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2025-04-16T18:54:22
DS_q4h7q8q0fnve_0
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2025-04-16T17:24:20
DS_q4h7q8q0fnve_0
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2025-04-16T21:51:46
DS_q4h7q8q0fnve_0
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2025-04-16T17:26:50
DS_q4h7q8q0fnve_0
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2025-04-16T15:44:18
DS_q4h7q8q0fnve_0
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0032/MD_1901264063649552057980032.json
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2025-04-16T18:46:38
DS_q4h7q8q0fnve_0
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Ag32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0665/MD_8328333280534599668480665.json
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2025-04-16T16:04:01
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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2025-04-16T21:51:46
DS_q4h7q8q0fnve_0
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2025-04-16T15:44:12
DS_q4h7q8q0fnve_0
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2025-04-16T19:03:50
DS_q4h7q8q0fnve_0
1
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DFT-PBE
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Ag8
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PO_3417427945556257147912371
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2025-04-16T21:28:46
DS_q4h7q8q0fnve_0
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DFT-PBE
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Ag33
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data/MD/0032/MD_1901264063649552057980032.json
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2025-04-16T16:09:51
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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2025-04-16T19:05:33
DS_q4h7q8q0fnve_0
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2025-04-16T21:29:37
DS_q4h7q8q0fnve_0
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PO_3444214759133151542731252
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2025-04-16T21:44:51
DS_q4h7q8q0fnve_0
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PO_3450097758408209217396307
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2025-04-16T17:57:37
DS_q4h7q8q0fnve_0
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2025-04-16T18:45:26
DS_q4h7q8q0fnve_0
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data/MD/9689/MD_7937089555795707578009689.json
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PO_3448598088962185147262892
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2025-04-16T16:43:28
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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64
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9689/MD_7937089555795707578009689.json
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PO_3438066741338016491725479
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2025-04-16T15:42:26
DS_q4h7q8q0fnve_0
1
VASP
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Ag
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0032/MD_1901264063649552057980032.json
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2025-04-16T18:03:12
DS_q4h7q8q0fnve_0
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VASP
DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/9306/MD_1303153961966051304389306.json
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2025-04-17T17:56:16
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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Ag64
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64
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/4896/MD_9448874345651185153904896.json
null
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PO_3442059844112788365716976
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2025-04-16T16:30:10
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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Ag8
Ag
A
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8
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0
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null
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data/MD/4896/MD_9448874345651185153904896.json
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PO_3419124909016258828817803
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2025-04-16T16:56:48
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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Ag32
Ag
A
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0665/MD_8328333280534599668480665.json
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{"materials-project-id": "mp-124", "temperature": 1260, "hash": "8328333280534599668480665244495013534205131916250553748395247603575458621133451557343901170867215808609131575955333758669127640608507517902470598063908496", "id": "MD_8328333280534599668480665"}
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PO_3420094022280624554540507
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2025-04-16T16:23:10
DS_q4h7q8q0fnve_0
1
VASP
DFT-PBE
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2025-04-16T17:39:46
DS_q4h7q8q0fnve_0
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2025-04-16T15:43:44
DS_q4h7q8q0fnve_0
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DFT-PBE
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2025-04-16T16:44:56
DS_q4h7q8q0fnve_0
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2025-04-16T21:28:46
DS_q4h7q8q0fnve_0
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2025-04-16T21:56:50
DS_q4h7q8q0fnve_0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0032/MD_1901264063649552057980032.json
null
{"materials-project-id": "mp-124", "temperature": 315, "hash": "1901264063649552057980032765360091244306129156863244765520539936315517545718139405924156609694941144556195633664429638527201258218040275372883302651202181", "id": "MD_1901264063649552057980032"}
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