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PO_9334803223803404820086711
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| 2025-04-16T19:03:57
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -2,012.752787
|
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data/MD/0261/MD_3089163706126694269530261.json
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{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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| 2025-04-16T16:29:51
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DS_14m394gnh3ae_0
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VASP
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SCAN
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DS_14m394gnh3ae_0
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data/MD/0261/MD_3089163706126694269530261.json
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O32Si16
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O2Si
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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DS_14m394gnh3ae_0
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VASP
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SCAN
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-16T21:21:56
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O6Si3
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data/MD/0261/MD_3089163706126694269530261.json
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PO_2825478392529464520841935
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| 2025-04-16T18:47:54
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -94.07159
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| null | null | null | null | null | 5.659674
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O6Si3
|
O2Si
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A2B
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[
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
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PO_2833060176776802185559017
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| 2025-04-16T17:54:01
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DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -375.305583
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DS_14m394gnh3ae_0
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O72Si36
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DS_14m394gnh3ae_0
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O8Si4
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data/MD/0261/MD_3089163706126694269530261.json
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DS_14m394gnh3ae_0
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VASP
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SCAN
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_9363409272346960952743475
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| 2025-04-16T21:57:13
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -2,011.006883
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DS_14m394gnh3ae_0
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VASP
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SCAN
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A2B
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| 2025-04-16T16:07:38
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DS_14m394gnh3ae_0
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VASP
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SCAN
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data/MD/0261/MD_3089163706126694269530261.json
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PO_9384556766189985071076227
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| 2025-04-16T21:28:46
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O8Si4
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O2Si
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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PO_9388527595131074330641965
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| 2025-04-16T18:32:29
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -79.704915
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Si8
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Si
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A
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1
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[
14,
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1
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[
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data/MD/0261/MD_3089163706126694269530261.json
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{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_9394758230612492558004432
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| 2025-04-16T18:04:13
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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CO_1109414706453830293729273
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O8Si4
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-16T17:11:15
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O6Si3
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O2Si
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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PO_2880177372039298547735180
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| 2025-04-16T21:52:07
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O4Si2
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O2Si
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
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PO_2862995595307378049363455
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| 2025-04-16T21:38:17
|
DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -1,125.952455
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_2872343955474983418777676
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| 2025-04-16T18:55:31
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,834.472643
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data/MD/0261/MD_3089163706126694269530261.json
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DS_14m394gnh3ae_0
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VASP
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SCAN
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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| 2025-04-16T20:13:01
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DS_14m394gnh3ae_0
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SCAN
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PO_9422673240407003105704059
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| 2025-04-17T17:35:57
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O16Si8
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O2Si
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A2B
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PO_9419812719176652926185770
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| 2025-04-16T20:26:41
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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DS_14m394gnh3ae_0
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_9429540554347254463585125
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| 2025-04-16T15:43:58
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DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,930.354173
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_2928792226287652768347421
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| 2025-04-16T17:41:42
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DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,136.726974
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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PO_9443666616914724020690227
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| 2025-04-16T20:42:07
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O32Si16
|
O2Si
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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PO_9455445349100990684193030
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| 2025-04-16T15:42:57
|
DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -1,969.710129
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DS_14m394gnh3ae_0
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data/MD/0261/MD_3089163706126694269530261.json
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data/MD/0261/MD_3089163706126694269530261.json
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{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_9442722813272679739985854
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| 2025-04-16T15:23:03
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DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -1,129.338385
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O2Si
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O8Si4
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O2Si
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data/MD/0261/MD_3089163706126694269530261.json
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PO_9456156694090668235321089
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| 2025-04-16T17:45:46
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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data/MD/0261/MD_3089163706126694269530261.json
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{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_2921587146797570031168071
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| 2025-04-16T20:11:48
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O6Si3
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data/MD/0261/MD_3089163706126694269530261.json
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PO_2933992185693765774676577
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| 2025-04-16T22:03:29
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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VASP
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data/MD/0261/MD_3089163706126694269530261.json
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DS_14m394gnh3ae_0
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SCAN
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data/MD/0261/MD_3089163706126694269530261.json
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DS_14m394gnh3ae_0
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VASP
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SCAN
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data/MD/0261/MD_3089163706126694269530261.json
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{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_2951929408011625370250017
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| 2025-04-16T18:08:56
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DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -1,932.546599
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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VASP
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SCAN
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data/MD/0261/MD_3089163706126694269530261.json
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{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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DS_14m394gnh3ae_0
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VASP
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SCAN
| -1,953.219934
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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VASP
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data/MD/0261/MD_3089163706126694269530261.json
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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VASP
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data/MD/0261/MD_3089163706126694269530261.json
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O24Si12
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O2Si
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DS_14m394gnh3ae_0
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O16Si8
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DS_14m394gnh3ae_0
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SCAN
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PO_2986756877150711166252490
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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DS_14m394gnh3ae_0
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-16T20:10:51
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O2Si
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A2B
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DS_14m394gnh3ae_0
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VASP
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O8Si4
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data/MD/0261/MD_3089163706126694269530261.json
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PO_9525209763915191683992018
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O128Si64
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O2Si
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-17T18:16:17
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DS_14m394gnh3ae_0
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VASP
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SCAN
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Si8
|
Si
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A
|
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[
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data/MD/0261/MD_3089163706126694269530261.json
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PO_2964445132371994084812786
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| 2025-04-16T17:31:41
|
DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -93.785935
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| null | null | null | null | null | 3.662028
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CO_3511826516910360726930233
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O6Si3
|
O2Si
|
A2B
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[
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[
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[
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_2960443336226745278162744
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| 2025-04-16T15:44:32
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DS_14m394gnh3ae_0
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VASP
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SCAN
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| 2025-04-16T21:38:17
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DS_14m394gnh3ae_0
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| 2025-04-16T21:09:01
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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data/MD/0261/MD_3089163706126694269530261.json
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PO_9497478221296600700428110
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| 2025-04-16T16:46:19
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O6Si3
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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PO_2971027325283480594099153
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| 2025-04-17T17:56:16
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -505.809272
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O32Si16
|
O2Si
|
A2B
|
[
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[
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
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PO_9537930213313112148166785
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| 2025-04-16T18:47:34
|
DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -1,933.803128
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[
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[
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] |
[
true,
true,
true
] |
O128Si64
|
O2Si
|
A2B
|
[
"O",
"Si"
] |
[
0.6666666666666666,
0.3333333333333333
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| 2
| 3
|
[
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1,
1
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[
"quench__quenching__high_energy__2894"
] | null |
data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
|
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