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DS_r6c6gt2s98xm_0
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VASP
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DS_r6c6gt2s98xm_0
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data/MD/5437/MD_1205415552139760354955437.json
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| 2025-04-16T16:56:48
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5570254792581338569740240
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PO_1002097702001175570290329
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| 2025-04-16T15:42:59
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
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Ta54
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A
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1
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
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PO_1002168604007797511547856
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| 2025-04-16T15:43:58
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -634.361035
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6957376374890466240781814
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Ta54
|
Ta
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A
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| 1
| 3
|
[
1,
1,
1
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
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PO_4923200186464703961530754
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| 2025-04-16T18:27:25
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -23.1293
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8698394629017795896274980
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Ta2
|
Ta
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A
|
[
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[
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[
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73
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| 1
| 3
|
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1
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
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PO_1002674450637377960675155
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| 2025-04-16T20:04:36
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -1,503.111223
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3859573331680982837081617
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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DS_r6c6gt2s98xm_0
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VASP
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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CO_6417221742107186563172351
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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Ta128
|
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data/MD/5437/MD_1205415552139760354955437.json
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PO_1003523134405387902917942
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| 2025-04-16T15:45:03
|
DS_r6c6gt2s98xm_0
| 1
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VASP
|
DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3168941791907758780389166
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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| 2025-04-16T17:55:53
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DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -2,725.347374
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3825801708641758484622974
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data/MD/5437/MD_1205415552139760354955437.json
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| 2025-04-16T21:21:56
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
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DFT-PBE
| -11.497115
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1092278205911019998382502
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DS_r6c6gt2s98xm_0
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VASP
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| 2025-04-16T18:38:16
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
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| 2025-04-16T16:05:10
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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[] |
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CO_8514427588121816606025203
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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PO_4962291123502682947283174
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| 2025-04-17T17:56:16
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
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CO_5600576931457939081352061
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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CO_1326616727457981900639065
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Ta54
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PO_4958114934150811585319278
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| 2025-04-16T16:43:28
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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[] |
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CO_9760610219081334815596185
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
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CO_8164018476637432783302002
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
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CO_3048476301043131860532928
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| 2025-04-16T15:43:51
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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[] |
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CO_3779322440437398387884148
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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| 2025-04-16T17:10:53
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
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Ta4
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A
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[
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data/MD/5437/MD_1205415552139760354955437.json
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PO_4983320295353778025682063
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| 2025-04-16T16:00:44
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7656966372001695840219960
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Ta
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Ta
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A
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[
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1
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| 3
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[
1,
1,
1
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[
"defpath_trigo"
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
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PO_4973695707653669162801896
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| 2025-04-16T21:28:46
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -634.286362
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7503723041033400007362716
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Ta54
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Ta
|
A
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[
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1
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73,
73,
73
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| 1
| 3
|
[
1,
1,
1
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[
"bcc.nvt"
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
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PO_4974349336404523875729123
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| 2025-04-16T18:38:16
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -684.21173
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2392515116387681410421055
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[
true,
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true
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Ta63
|
Ta
|
A
|
[
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[
1
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73,
73,
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73,
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73,
73,
73
] | 63
| 1
| 3
|
[
1,
1,
1
] |
[
"surface"
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
|
PO_4984381983623643902663386
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| 2025-04-16T16:30:05
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -18.219847
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1892979915283190415888411
|
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Ta2
|
Ta
|
A
|
[
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[
1
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[
73,
73
] | 2
| 1
| 3
|
[
1,
1,
1
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[
"shockwave_100"
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
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PO_1009040060158800281747415
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| 2025-04-16T16:33:01
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -276.063061
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1071717078397974367633398
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[
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true
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Ta24
|
Ta
|
A
|
[
"Ta"
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[
1
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[
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73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73
] | 24
| 1
| 3
|
[
1,
1,
1
] |
[
"gamma_112"
] | null |
data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
|
PO_1009329356532143166218290
|
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| 2025-04-16T16:56:02
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -604.137119
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2278549450215175562945357
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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VASP
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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VASP
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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[] |
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CO_3849634372907513308893374
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73,
73,
73
] | 54
| 1
| 3
|
[
1,
1,
1
] |
[
"bcc.nvt"
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
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PO_1007992202301503240257508
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| 2025-04-16T18:22:53
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -23.375123
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1268145751202693794954999
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Ta2
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Ta
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A
|
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73,
73
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| 1
| 3
|
[
1,
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1
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
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PO_1008140120360749558259089
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| 2025-04-17T18:26:41
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -682.999499
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8108581357128949526893366
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true
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Ta63
|
Ta
|
A
|
[
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[
1
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73,
73,
73,
73,
73,
73,
73,
73,
73
] | 63
| 1
| 3
|
[
1,
1,
1
] |
[
"surface"
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
|
PO_4988374661687554885483232
|
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| 2025-04-16T20:48:59
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -18.814732
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1411662329452162293787127
|
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[
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[
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Ta2
|
Ta
|
A
|
[
"Ta"
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[
1
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[
73,
73
] | 2
| 1
| 3
|
[
1,
1,
1
] |
[
"eos_bcc"
] | null |
data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
|
PO_4988687729385581029838016
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| 2025-04-17T18:48:22
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -10.306756
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2699148322179754140551835
|
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[
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true,
true
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Ta6
|
Ta
|
A
|
[
"Ta"
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[
1
] |
[
73,
73,
73,
73,
73,
73
] | 6
| 1
| 3
|
[
1,
1,
1
] |
[
"shockwave_111"
] | null |
data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
|
PO_4996203719028243487838624
|
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| 2025-04-16T16:06:08
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -11.526539
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1174754737061711594245931
|
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[
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[
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Ta
|
Ta
|
A
|
[
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[
1
] |
[
73
] | 1
| 1
| 3
|
[
1,
1,
1
] |
[
"defpath_trigo"
] | null |
data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
|
PO_4433852274939908638186285
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| 2025-04-16T16:08:56
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -658.788328
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3911734158192781106052019
|
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[
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[
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true,
true
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Ta60
|
Ta
|
A
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1316892313728521445129248
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PO_4985804634178362698103274
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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Ta128
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A
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data/MD/5437/MD_1205415552139760354955437.json
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PO_4982088192857873491151565
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| 2025-04-16T17:13:47
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DS_r6c6gt2s98xm_0
| 1
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VASP
|
DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1283834334779929480239589
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Ta4
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DS_r6c6gt2s98xm_0
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VASP
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| 2025-04-16T21:14:40
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DS_r6c6gt2s98xm_0
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VASP
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PO_1010127893399799055829430
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| 2025-04-16T18:59:47
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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CO_1051315631044400907013983
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data/MD/5437/MD_1205415552139760354955437.json
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PO_1010314014351328444151848
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| 2025-04-16T15:43:51
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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CO_7297958088425795371038528
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Ta4
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data/MD/5437/MD_1205415552139760354955437.json
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| 2025-04-16T16:10:20
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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CO_8433305605695315581080593
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data/MD/5437/MD_1205415552139760354955437.json
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PO_1011521808026631510207369
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| 2025-04-16T21:14:40
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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CO_1267456632754320547012341
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data/MD/5437/MD_1205415552139760354955437.json
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PO_1011798617317676527141313
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| 2025-04-16T17:19:33
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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CO_7760825743812755260761510
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Ta54
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data/MD/5437/MD_1205415552139760354955437.json
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| 2025-04-16T16:07:32
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -278.906492
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3245664441468710699838738
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Ta24
|
Ta
|
A
|
[
"Ta"
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[
1
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73,
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73,
73,
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73,
73
] | 24
| 1
| 3
|
[
1,
1,
1
] |
[
"gamma_112"
] | null |
data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
|
PO_1011831217272836735946874
|
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| 2025-04-17T18:48:22
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -11.556943
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3143414905867735677328022
|
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Ta
|
Ta
|
A
|
[
"Ta"
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[
1
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[
73
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| 1
| 3
|
[
1,
1,
1
] |
[
"defpath_trigo"
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
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PO_1011898755476441182974532
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| 2025-04-16T20:15:40
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -1,496.736136
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1214173414691202594835872
|
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[
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] |
[
true,
true,
true
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Ta127
|
Ta
|
A
|
[
"Ta"
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[
1
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73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73
] | 127
| 1
| 3
|
[
1,
1,
1
] |
[
"vacancy"
] | null |
data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
|
PO_1012028245446042006204317
|
10120282454460420062043172308478071087901933588362529448386878688551558542870947214470271427193627370163099368873824424239576751159860764700015247736450682
| 2025-04-16T20:37:32
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -11.812037
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1003012249838787937638706
|
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[
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[
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true
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Ta
|
Ta
|
A
|
[
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[
1
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[
73
] | 1
| 1
| 3
|
[
1,
1,
1
] |
[
"defpath_trigo"
] | null |
data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
|
PO_1012658458375917162474206
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10126584583759171624742062517436097599431765092663398165344603412230264101168266339304507071294562424719570508137489188341669077670879148830142174699619416
| 2025-04-16T17:21:11
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -9.535762
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2853584747855531465167173
|
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[
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true,
true
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Ta2
|
Ta
|
A
|
[
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[
1
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[
73,
73
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| 1
| 3
|
[
1,
1,
1
] |
[
"eos_dimer"
] | null |
data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
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PO_1012650433023324116300325
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| 2025-04-16T18:20:07
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -2,725.361649
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1162501315815666489087758
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A
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
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PO_4457561203360439665140050
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| 2025-04-16T16:56:16
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -636.581375
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1169136655243762793979659
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Ta54
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Ta
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A
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| 2025-04-16T18:03:12
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DS_r6c6gt2s98xm_0
| 1
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VASP
|
DFT-PBE
| -45.941807
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7073690934613406706697291
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data/MD/5437/MD_1205415552139760354955437.json
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PO_4471005399706785465812433
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| 2025-04-17T18:26:41
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
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CO_1312682128458332153075005
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Ta48
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Ta
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A
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[
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data/MD/5437/MD_1205415552139760354955437.json
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PO_4467066391176078644123825
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| 2025-04-16T21:23:51
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -140.660012
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1188294151373686008805034
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Ta15
|
Ta
|
A
|
[
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[
1
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73,
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1
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[
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data/MD/5437/MD_1205415552139760354955437.json
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PO_1050212019396558486448946
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| 2025-04-16T20:47:06
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| 0.229649
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8254673862381993486389956
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Ta
|
Ta
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A
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[
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[
1
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[
73
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[
1,
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1
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
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PO_1050445427973228286453141
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| 2025-04-17T18:26:41
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DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -280.631097
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9204285677653441952475266
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Ta24
|
Ta
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A
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1
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[
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data/MD/5437/MD_1205415552139760354955437.json
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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CO_8855881600377275450359571
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Ta51
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A
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| 2025-04-16T17:24:20
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DS_r6c6gt2s98xm_0
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | null | null | null |
CO_1154533511974658340451522
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Ta48
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PO_1013314275287206085060664
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| 2025-04-16T19:57:19
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4259124317879590626293655
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A
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PO_1013572251379491019436240
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
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CO_7024659412356314381131498
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DS_r6c6gt2s98xm_0
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| 2025-04-16T15:44:08
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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DS_r6c6gt2s98xm_0
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VASP
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| 2025-04-16T21:44:51
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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[] |
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CO_6621495334196150409326843
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DS_r6c6gt2s98xm_0
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DS_r6c6gt2s98xm_0
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Ta231
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A
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[
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data/MD/5437/MD_1205415552139760354955437.json
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DS_r6c6gt2s98xm_0
| 1
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VASP
|
DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7830742071851333605757961
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Ta4
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A
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data/MD/5437/MD_1205415552139760354955437.json
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PO_4526241153988475275168323
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| 2025-04-16T18:52:56
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DS_r6c6gt2s98xm_0
| 1
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VASP
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DFT-PBE
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CO_2090048365228751524721639
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Ta30
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A
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1,
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1
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[
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data/MD/5437/MD_1205415552139760354955437.json
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PO_4525036969743981059791072
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| 2025-04-16T16:09:44
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -77.098465
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1316328663130761852876647
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Ta8
|
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A
|
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1
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| 3
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[
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1
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[
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data/MD/5437/MD_1205415552139760354955437.json
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PO_4481563713486292520578162
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| 2025-04-16T21:21:56
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -602.942578
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1191913537064735996474767
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[
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Ta54
|
Ta
|
A
|
[
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[
1
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] | 54
| 1
| 3
|
[
1,
1,
1
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
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PO_4480820190393084949662104
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| 2025-04-16T15:42:27
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -23.528165
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8309075314528447575304941
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Ta2
|
Ta
|
A
|
[
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[
1
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[
73,
73
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| 1
| 3
|
[
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1,
1
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
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PO_1015582741163251664961141
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| 2025-04-16T18:08:14
|
DS_r6c6gt2s98xm_0
| 1
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VASP
|
DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1176537243707185322549874
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Ta54
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Ta
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A
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73
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1
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[
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data/MD/5437/MD_1205415552139760354955437.json
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{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
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PO_1015898878603600474989576
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| 2025-04-16T18:16:44
|
DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -84.798275
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1105074314499038707042671
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Ta8
|
Ta
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A
|
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[
1
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[
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73,
73,
73,
73,
73,
73,
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| 1
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[
1,
1,
1
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
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PO_1053272250400984111967373
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| 2025-04-16T16:54:28
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DS_r6c6gt2s98xm_0
| 1
|
VASP
|
DFT-PBE
| -602.769046
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1031096237943728751200900
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Ta54
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Ta
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A
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| 1
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[
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data/MD/5437/MD_1205415552139760354955437.json
| null | null | null |
{"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"}
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