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PO_4248017047775724617471818
|
4248017047775724617471818875845837295597949070925933516933299934912577707679060591095456587587518646519395507999948057443295210023417930863742004069260866
| 2025-04-16T18:07:29
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,933.250973
|
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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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| 2025-04-17T18:06:06
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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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data/MD/0261/MD_3089163706126694269530261.json
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PO_4291851426174305238315251
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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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| 2025-04-16T16:03:23
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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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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_4300203413025697001384558
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| 2025-04-16T15:44:05
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,991.250212
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DS_14m394gnh3ae_0
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true
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O96Si48
|
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"}
|
PO_4335140892152217329119156
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| 2025-04-16T16:30:42
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -126.217632
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| null | null | null | null | null | 2.521595
| 1.197499
| null |
CO_5923929059529170764578280
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[
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true
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O8Si4
|
O2Si
|
A2B
|
[
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[
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[
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14
] | 12
| 2
| 3
|
[
1,
1,
1
] |
[
"bulk_cryst__low_cristobalite__203"
] | 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"}
|
PO_4343491991705949553758703
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| 2025-04-16T18:08:36
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -93.967748
|
[
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] | false
| null | null | null | null | null | 4.510184
| 2.246537
| null |
CO_2732658909220253891893715
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[
true,
true,
true
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O6Si3
|
O2Si
|
A2B
|
[
"O",
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[
0.6666666666666666,
0.3333333333333333
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[
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14,
14,
14
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| 2
| 3
|
[
1,
1,
1
] |
[
"bulk_cryst__crystalline__beta_quartz__1600"
] | 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"}
|
PO_4340284326302547622158051
|
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| 2025-04-16T22:04:30
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,133.767828
|
[
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0.404339,
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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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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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| 2025-04-16T18:02:06
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,967.847827
|
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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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PO_4356541423638724050012538
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O72Si36
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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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{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_4362702048512757225474785
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| 2025-04-16T16:03:49
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DS_14m394gnh3ae_0
| 1
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VASP
|
SCAN
| -94.418775
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| null | null | null | null | null | 3.651286
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O6Si3
|
O2Si
|
A2B
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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 |
{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_4362714549153027328832205
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| 2025-04-16T16:05:10
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -126.170154
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CO_7020412209436439844944464
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O8Si4
|
O2Si
|
A2B
|
[
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14
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| 2
| 3
|
[
1,
1,
1
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[
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] | 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_4358536545349172352883996
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| 2025-04-16T21:09:01
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -9.490245
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| null | null | null | null | null | 1.330842
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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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PO_4389570528480882015251567
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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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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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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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VASP
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data/MD/0261/MD_3089163706126694269530261.json
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PO_4398638192875014238409933
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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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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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| 2025-04-16T20:09:21
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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 | 2.669503
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CO_8040246297849583738313303
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O8Si4
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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 |
{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_4419028508427443512706822
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| 2025-04-16T17:49:49
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -125.481197
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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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A2B
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PO_4432506273094981377801364
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| 2025-04-16T18:44:30
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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
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PO_4800324631658043190367755
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| 2025-04-17T18:16:17
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,123.997586
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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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DS_14m394gnh3ae_0
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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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{"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
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-16T18:47:29
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DS_14m394gnh3ae_0
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VASP
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SCAN
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O96Si48
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O2Si
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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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PO_4827751245321371233744056
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| 2025-04-16T17:58:24
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DS_14m394gnh3ae_0
| 1
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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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data/MD/0261/MD_3089163706126694269530261.json
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PO_4817013947142774919002073
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| 2025-04-17T17:35:57
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O16Si8
|
O2Si
|
A2B
|
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data/MD/0261/MD_3089163706126694269530261.json
| null | null | null |
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PO_4818127754239650229288879
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| 2025-04-16T17:16:57
|
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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{"input": {"encut": {"value": 900, "unit": "eV"}, "kspacing": {"value": 0.23, "unit": "Ang^-1"}}, "hash": "3089163706126694269530261456384610382333165874591082773977310238031653709639302470466846107740770205842016783942177676601476721504491658660318417020550833", "id": "MD_3089163706126694269530261"}
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PO_4821555708963941650934158
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| 2025-04-16T17:50:49
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DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -1,836.133607
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O128Si64
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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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O4Si2
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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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PO_4836496845224374288005049
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| 2025-04-16T20:48:21
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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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O2Si
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A2B
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data/MD/0261/MD_3089163706126694269530261.json
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PO_4852360177274925570670279
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| 2025-04-16T16:03:51
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -501.60427
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O32Si16
|
O2Si
|
A2B
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[
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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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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 |
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
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O48Si24
|
O2Si
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A2B
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| 3
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[
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data/MD/0261/MD_3089163706126694269530261.json
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| 2025-04-16T16:55:27
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DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -93.500083
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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
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PO_4897293683070455249465482
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| 2025-04-16T18:45:26
|
DS_14m394gnh3ae_0
| 1
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VASP
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SCAN
| -242.157464
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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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O16Si8
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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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O2
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A
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DS_14m394gnh3ae_0
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| null | null | null | null | null | 3.505762
| 1.313869
| null |
CO_7094011556547815705726585
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[
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[
true,
true,
true
] |
O72Si36
|
O2Si
|
A2B
|
[
"O",
"Si"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
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8,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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8,
8,
8,
8,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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14,
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14,
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14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14
] | 108
| 2
| 3
|
[
1,
1,
1
] |
[
"bulk_cryst__crystalline__chabazite__2166"
] | 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"}
|
PO_4911314778147437346559716
|
4911314778147437346559716912218806000491021278395379025789345263382805994610631739877723906573737947418758528538472358878835472425869271843426881667926002
| 2025-04-16T15:41:31
|
DS_14m394gnh3ae_0
| 1
|
VASP
|
SCAN
| -62.046659
|
[
[
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[
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[
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[
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],
[
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],
[
0.398073,
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0.177811
]
] |
[
[
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[
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-0.000004919124605294377,
-0.0000010107551124423197
]
] | false
| null | null | null | null | null | 0.833493
| 0.530194
| null |
CO_6744111468542936225112694
|
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|
1612308490135433650363615188181854117001416635930047387270074569408110477419760559499123704668528274698948264407537186223266096371470036224122291395910193
|
[
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0
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[
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0
],
[
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]
] |
[
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[
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],
[
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1.32155
]
] |
[
true,
true,
true
] |
O4Si2
|
O2Si
|
A2B
|
[
"O",
"Si"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
8,
8,
8,
8,
14,
14
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"bulk_cryst__crystalline__stishovite__2963"
] | 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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