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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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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_3424518122386148146129800
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| 2025-04-17T18:26:41
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DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,984.105907
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O128Si64
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O2Si
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[
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-16T16:55:24
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DS_14m394gnh3ae_0
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VASP
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SCAN
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| null | null | null | null | null | 3.809598
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CO_9190593294320061320131657
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O6Si3
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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_3422174849753026489304219
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| 2025-04-16T21:51:46
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -126.08434
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CO_1340613020641868930296978
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O8Si4
|
O2Si
|
A2B
|
[
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| 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_3420319421114510541604721
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| 2025-04-16T16:55:51
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,946.360185
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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_3433096478217289604897704
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| 2025-04-16T16:49:26
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,930.35943
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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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| 2025-04-16T20:04:32
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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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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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| 2025-04-16T21:12:08
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O24Si12
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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_3488176492169140106544189
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| 2025-04-16T21:13:40
|
DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -1,824.112904
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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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| 2025-04-16T17:29:43
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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_3475513773715997144972073
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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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PO_3474951740626236151525191
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| 2025-04-16T17:55:11
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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
| 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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O32Si16
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| 2025-04-16T16:05:18
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,134.78136
|
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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_3495694446806303893286508
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| 2025-04-16T21:09:02
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,917.066707
|
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O96Si48
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-16T16:07:30
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DS_14m394gnh3ae_0
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VASP
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SCAN
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CO_4856153433868928522733032
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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_3526348722702704229957142
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| 2025-04-16T21:37:22
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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
| 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_3538288384156708502446821
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| 2025-04-16T20:35:09
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DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,131.202895
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O72Si36
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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_3541803478086420333758639
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| 2025-04-16T16:47:21
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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CO_5526147964351482136499947
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O8Si4
|
O2Si
|
A2B
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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_3544649645925753040620697
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| 2025-04-16T17:11:48
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -94.476776
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CO_1099697406152793936992986
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O6Si3
|
O2Si
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A2B
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[
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[
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data/MD/0261/MD_3089163706126694269530261.json
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PO_3545949742072724514528672
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| 2025-04-16T18:10:37
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,134.77855
|
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| null | null | null | null | null | 3.514295
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A2B
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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_3545081024650616605265605
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| 2025-04-16T18:47:30
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,811.605609
|
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DS_14m394gnh3ae_0
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PO_3562412540891370829082214
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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_3562585413593153364933488
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| 2025-04-16T17:55:33
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -1,971.738326
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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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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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O16Si8
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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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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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| 2025-04-16T18:31:36
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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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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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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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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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| 2025-04-16T21:09:01
|
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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data/MD/0261/MD_3089163706126694269530261.json
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PO_4072267570693358403382684
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| 2025-04-16T20:18:47
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -62.105925
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O4Si2
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O2Si
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
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PO_4103136013698840745838692
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| 2025-04-16T17:54:49
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -249.627811
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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_4104235717131842366137417
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| 2025-04-16T17:21:42
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O24Si12
|
O2Si
|
A2B
|
[
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[
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|
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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_4107895375818433725086899
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| 2025-04-16T21:38:17
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -126.367794
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CO_1184353154044863696188208
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O8Si4
|
O2Si
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A2B
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[
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[
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[
8,
8,
8,
8,
8,
8,
8,
8,
14,
14,
14,
14
] | 12
| 2
| 3
|
[
1,
1,
1
] |
[
"bulk_cryst__low_cristobalite__211"
] | 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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PO_4087666612718149367755852
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| 2025-04-16T15:44:09
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,491.221889
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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_4136916656445994540616038
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| 2025-04-16T20:26:41
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DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,995.701371
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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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O4Si2
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PO_4153232377799203593717897
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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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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_4158077126400018826776990
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| 2025-04-16T15:23:03
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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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SCAN
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O8Si4
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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PO_4173795837288252012160507
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| 2025-04-16T20:03:00
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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[
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true
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O48Si24
|
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
| 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_4176826180798678940581088
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| 2025-04-16T15:44:44
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,134.091101
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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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DS_14m394gnh3ae_0
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DS_14m394gnh3ae_0
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VASP
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SCAN
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| 2025-04-16T17:13:10
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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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DS_14m394gnh3ae_0
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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_4194799770343340710925748
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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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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_4210205233814433082979243
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| 2025-04-16T21:22:40
|
DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -62.096189
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CO_1118651424216956435405546
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O4Si2
|
O2Si
|
A2B
|
[
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[
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| 2
| 3
|
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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_4210069091164957883218197
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| 2025-04-16T21:44:51
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,511.924055
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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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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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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_4260030545785164112763335
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| 2025-04-16T18:14:48
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DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -1,916.699359
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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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