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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_1001453049967892375760638
|
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| 2025-04-16T21:37:17
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,921.481193
|
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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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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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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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| 2025-04-16T17:12:08
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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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| 2025-04-16T16:26:41
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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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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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DS_14m394gnh3ae_0
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O24Si12
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data/MD/0261/MD_3089163706126694269530261.json
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PO_1003333726618510738868098
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| 2025-04-16T16:23:41
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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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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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PO_1003637547016065229377536
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| 2025-04-16T17:42:15
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -252.581963
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O16Si8
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O2Si
|
A2B
|
[
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[
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data/MD/0261/MD_3089163706126694269530261.json
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PO_1005292962368060772380912
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| 2025-04-16T17:39:46
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -378.643009
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CO_3521924182856443325617563
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[
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true
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O24Si12
|
O2Si
|
A2B
|
[
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[
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14,
14,
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14,
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14,
14,
14
] | 36
| 2
| 3
|
[
1,
1,
1
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[
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
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PO_1005523422686943114259472
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| 2025-04-16T16:57:01
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -94.707026
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CO_7776344116928568924281197
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[
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true
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O6Si3
|
O2Si
|
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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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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SCAN
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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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DS_14m394gnh3ae_0
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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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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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DS_14m394gnh3ae_0
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VASP
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SCAN
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Si8
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data/MD/0261/MD_3089163706126694269530261.json
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PO_1009307057282316411212974
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| 2025-04-16T21:44:51
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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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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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SCAN
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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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SCAN
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PO_1008639535633667498670911
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| 2025-04-16T17:11:24
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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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DS_14m394gnh3ae_0
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SCAN
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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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DS_14m394gnh3ae_0
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VASP
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O6Si3
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A2B
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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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VASP
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SCAN
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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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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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O4Si2
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data/MD/0261/MD_3089163706126694269530261.json
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PO_1011180256053280747231728
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| 2025-04-16T16:08:30
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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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VASP
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DS_14m394gnh3ae_0
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| 2025-04-16T16:49:41
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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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DS_14m394gnh3ae_0
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VASP
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SCAN
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| 2025-04-16T18:09:37
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,927.307345
|
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DS_14m394gnh3ae_0
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| 2025-04-16T15:43:59
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O4Si2
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PO_4450616653587536998412964
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| 2025-04-16T16:57:33
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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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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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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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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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A2B
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O128Si64
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O2Si
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A2B
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[
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-17T17:45:49
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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| null | null | null | null | null | 1.961504
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CO_1875461549430841525118015
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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 |
{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_1050287180290426682311147
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| 2025-04-16T17:44:41
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -125.874699
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| null | null | null | null | null | 2.338982
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CO_1802972176290691124045265
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O8Si4
|
O2Si
|
A2B
|
[
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[
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14
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| 2
| 3
|
[
1,
1,
1
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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_1050286032585076560585704
|
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| 2025-04-16T16:07:38
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,833.513306
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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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O8Si4
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data/MD/0261/MD_3089163706126694269530261.json
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PO_1014786564193349383994250
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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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| 2025-04-16T15:43:51
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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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O128Si64
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-16T21:38:17
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DS_14m394gnh3ae_0
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VASP
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SCAN
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CO_8326099156637334370017234
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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_4489786938374401655121069
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| 2025-04-16T20:20:36
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -12.956861
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CO_1025702621636133938845756
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Si2
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Si
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A
|
[
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[
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[
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| 1
| 3
|
[
1,
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1
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[
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
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PO_4487029630856379961031136
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| 2025-04-16T21:44:51
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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| null | null | null | null | null | 8.014701
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CO_1231077956069737404592079
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O8Si4
|
O2Si
|
A2B
|
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| 2
| 3
|
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1
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[
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data/MD/0261/MD_3089163706126694269530261.json
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PO_4494539944388824252826282
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| 2025-04-16T20:19:02
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -241.163785
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CO_8673604982254840084340239
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O16Si8
|
O2Si
|
A2B
|
[
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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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| 2025-04-16T17:31:22
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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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A2B
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
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PO_4524752612022388780819384
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| 2025-04-16T21:38:17
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -93.715694
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
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PO_1050901599766704805111426
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| 2025-04-16T16:30:05
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DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,962.172913
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DS_14m394gnh3ae_0
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6.95233,
3.26018,
4.03179
],
[
7.62595,
1.14356,
0.59469
],
[
0.78229,
4.01266,
9.83962
],
[
5.04059,
1.59825,
9.82747
],
[
3.37015,
3.57405,
0.5709
],
[
3.24194,
3.73446,
5.79561
],
[
5.17171,
1.42054,
4.62027
],
[
1.46519,
1.90126,
6.38086
],
[
0.28573,
2.91012,
2.1625
],
[
7.50673,
1.50926,
5.7973
],
[
3.85555,
3.17233,
8.25237
],
[
4.00115,
4.3487,
3.04969
],
[
4.40353,
0.81022,
7.36612
],
[
0.16782,
4.56723,
7.38262
],
[
8.24927,
0.58709,
3.02584
],
[
0.90692,
3.66811,
4.62286
],
[
6.20362,
0.67437,
10.41768
],
[
6.36971,
2.40993,
5.20532
],
[
2.06454,
2.75965,
5.20536
],
[
0.14011,
1.33459,
1.71413
],
[
8.26972,
3.80269,
8.69178
],
[
4.33877,
3.9381,
6.92989
],
[
4.47143,
3.48252,
1.71714
],
[
4.07258,
1.22354,
3.47571
],
[
8.40565,
3.79078,
3.47849
],
[
-0.0092,
1.4025,
6.9292
],
[
3.93027,
1.67056,
8.7033
],
[
2.22961,
4.48844,
0.00647
]
] |
[
true,
true,
true
] |
O24Si12
|
O2Si
|
A2B
|
[
"O",
"Si"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14
] | 36
| 2
| 3
|
[
1,
1,
1
] |
[
"bulk_cryst__moganite__518"
] | 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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