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VASP
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DS_yq2whjjndyq5_0
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DS_yq2whjjndyq5_0
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data/MD/2253/MD_6281748854435351772302253.json
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DS_yq2whjjndyq5_0
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Be36W12
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Be3W
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A3B
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DS_yq2whjjndyq5_0
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DS_yq2whjjndyq5_0
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VASP
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Be36W12
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Be3W
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A3B
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PO_1002102036242637167498516
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| 2025-04-16T16:32:54
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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Be8W4
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Be2W
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A2B
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data/MD/2253/MD_6281748854435351772302253.json
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PO_1002149725529950120906065
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| 2025-04-16T17:26:05
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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PO_1002443246072029780842295
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| 2025-04-16T20:56:28
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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W53
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W
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A
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| 1
| 3
|
[
1,
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1
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[
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PO_1000983398472210128219160
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| 2025-04-16T16:09:32
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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CO_1099307708532339661755435
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Be2
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Be
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A
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| 1
| 3
|
[
1,
1,
1
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[
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PO_1000964334317053124576346
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| 2025-04-17T18:48:22
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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CO_9266864081519964413563487
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Be4W2
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Be2W
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A2B
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[
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[
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4
] | 6
| 2
| 3
|
[
1,
1,
1
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[
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data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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PO_1000970534844497678429373
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| 2025-04-16T17:08:59
|
DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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CO_6265024193352308103360769
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true
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Be8W4
|
Be2W
|
A2B
|
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| 2
| 3
|
[
1,
1,
1
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[
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PO_1000929407864735879181478
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| 2025-04-16T18:36:30
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -18.915524
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CO_1113433446105381830677140
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[
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true,
true
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Be3W
|
Be3W
|
A3B
|
[
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] |
[
0.75,
0.25
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[
74,
4,
4,
4
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
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] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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PO_1000914761582286306995155
|
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| 2025-04-16T21:22:14
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -48.65865
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| 0.602173
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CO_1102071411505403769260526
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[
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true,
true
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Be12W
|
Be12W
|
A12B
|
[
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[
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[
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4
] | 13
| 2
| 3
|
[
1,
1,
1
] |
[
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] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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|
PO_1001095105544335484914265
|
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| 2025-04-16T16:20:59
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -151.709633
|
[
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CO_7425939816403731406628956
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Be48
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Be
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A
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| 1
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|
[
1,
1,
1
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[
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data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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PO_1001040366887889212940731
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| 2025-04-16T17:15:37
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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true
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W12
|
W
|
A
|
[
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[
1
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[
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74,
74,
74,
74,
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74,
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74
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| 1
| 3
|
[
1,
1,
1
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[
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data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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PO_1001131887036054133729250
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| 2025-04-16T16:55:35
|
DS_yq2whjjndyq5_0
| 1
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VASP
|
DFT-PBE
| -45.060862
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CO_4315655844633108919575320
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[
true,
true,
true
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Be12W
|
Be12W
|
A12B
|
[
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[
0.9230769230769231,
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[
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4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4
] | 13
| 2
| 3
|
[
1,
1,
1
] |
[
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] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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|
PO_1001171408820218683832245
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| 2025-04-16T20:08:41
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -17.693715
|
[
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] | null | null | null | null | null | null | 0
| 0
| null |
CO_1323310900314168748233971
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[
true,
true,
true
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Be3W
|
Be3W
|
A3B
|
[
"Be",
"W"
] |
[
0.75,
0.25
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[
74,
4,
4,
4
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
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] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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|
PO_1001166452802890866893357
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| 2025-04-16T16:50:24
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -18.612901
|
[
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0
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[
0,
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0
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[
0,
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0
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[
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[
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0
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[
0,
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]
] | null | null | null | null | null | null | 0
| 0
| null |
CO_3516940982463481268564484
|
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|
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|
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[
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],
[
1.87984,
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0
]
] |
[
true,
true,
true
] |
Be3W
|
Be3W
|
A3B
|
[
"Be",
"W"
] |
[
0.75,
0.25
] |
[
74,
4,
4,
4
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
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] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
{"input": {"encut": {"value": 600, "units": "eV"}}, "hash": "6281748854435351772302253557298760168300196311393562166496400109155487061518992225597828250437023020418695408844746626192396165282036203920903677715327235", "id": "MD_6281748854435351772302253"}
|
PO_1001270215975807572261684
|
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| 2025-04-16T18:32:22
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -47.63404
|
[
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0,
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0
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0,
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DS_yq2whjjndyq5_0
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Be36W12
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Be3W
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A3B
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| 2025-04-16T21:28:46
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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Be48
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Be
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A
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1
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[
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PO_1001670772173396789041150
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| 2025-04-16T18:56:42
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DS_yq2whjjndyq5_0
| 1
|
VASP
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DFT-PBE
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Be4
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Be
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A
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[
1
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[
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| 1
| 3
|
[
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data/MD/2253/MD_6281748854435351772302253.json
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PO_1000075303419318609985297
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| 2025-04-16T18:34:51
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -11.277264
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[
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CO_3018863582097795839606567
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BeW
|
BeW
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AB
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| 2
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[
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data/MD/2253/MD_6281748854435351772302253.json
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PO_1000200089711398617684869
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| 2025-04-16T21:14:40
|
DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
| -103.635
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DS_yq2whjjndyq5_0
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| 2025-04-16T20:44:25
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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PO_1000341054793224559771683
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DS_yq2whjjndyq5_0
| 1
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VASP
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Be2
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[
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PO_1000385797663766344972486
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| 2025-04-16T16:26:23
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DS_yq2whjjndyq5_0
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VASP
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DFT-PBE
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W
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A
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[
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PO_1000334907237872786669827
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| 2025-04-16T16:20:54
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DS_yq2whjjndyq5_0
| 1
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VASP
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Be4
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Be
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A
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[
1
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[
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4
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| 1
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1
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[
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PO_1000528968814307919140489
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| 2025-04-16T21:22:14
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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CO_1046629086084067271306109
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W12
|
W
|
A
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PO_1000594371270521438925900
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| 2025-04-16T18:04:10
|
DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
| -6.089569
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CO_1097898593840865928838284
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Be2
|
Be
|
A
|
[
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[
1
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[
4,
4
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| 1
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|
[
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[
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data/MD/2253/MD_6281748854435351772302253.json
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PO_1000605595000151824527727
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| 2025-04-16T18:12:42
|
DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
| -102.015
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CO_6370787955335913905016683
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W12
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W
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A
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DS_yq2whjjndyq5_0
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VASP
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DFT-PBE
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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Be4
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PO_1000756672267876870988743
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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Be4W2
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Be2W
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A2B
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data/MD/2253/MD_6281748854435351772302253.json
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PO_1000781741595372716973808
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| 2025-04-16T15:18:28
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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W12
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W
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A
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1
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[
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data/MD/2253/MD_6281748854435351772302253.json
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PO_1000750655383829969974780
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| 2025-04-16T21:43:16
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
| -8.87836
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[
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0
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| null |
CO_3539986155350833735252919
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W
|
W
|
A
|
[
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[
1
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[
74
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| 1
| 3
|
[
1,
1,
1
] |
[
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data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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PO_1000876428541060704505994
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| 2025-04-16T16:41:55
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -228.61261
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[
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0
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] | null | null | null | null | null | null | 3.188621
| 1.270655
| null |
CO_3923742488509177808061592
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[
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[
true,
true,
true
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Be36W12
|
Be3W
|
A3B
|
[
"Be",
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[
0.75,
0.25
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4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4
] | 48
| 2
| 3
|
[
1,
1,
1
] |
[
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] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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|
PO_1000855399491286607220312
|
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| 2025-04-16T21:28:46
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -6.154954
|
[
[
0,
0,
0
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[
0,
0,
0
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[
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0
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[
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] | null | null | null | null | null | null | 0
| 0
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CO_2912858923796095416371372
|
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[
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[
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[
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true,
true
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Be2
|
Be
|
A
|
[
"Be"
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[
1
] |
[
4,
4
] | 2
| 1
| 3
|
[
1,
1,
1
] |
[
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] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
{"input": {"encut": {"value": 600, "units": "eV"}}, "hash": "6281748854435351772302253557298760168300196311393562166496400109155487061518992225597828250437023020418695408844746626192396165282036203920903677715327235", "id": "MD_6281748854435351772302253"}
|
PO_4923950610242729217280392
|
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| 2025-04-16T16:44:56
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -12.753669
|
[
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0
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[
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0
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[
0,
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0
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0
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[
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0
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[
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] | null | null | null | null | null | null | 0
| 0
| null |
CO_2256761408491097362498434
|
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|
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[
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[
0,
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]
] |
[
true,
true,
true
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Be4
|
Be
|
A
|
[
"Be"
] |
[
1
] |
[
4,
4,
4,
4
] | 4
| 1
| 3
|
[
1,
1,
1
] |
[
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] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
{"input": {"encut": {"value": 600, "units": "eV"}}, "hash": "6281748854435351772302253557298760168300196311393562166496400109155487061518992225597828250437023020418695408844746626192396165282036203920903677715327235", "id": "MD_6281748854435351772302253"}
|
PO_4922750235443112348536536
|
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| 2025-04-16T20:08:38
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -12.870533
|
[
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0
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[
0,
0,
0
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[
0,
0,
0
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[
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0
]
] |
[
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[
0,
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0
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[
0,
0,
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]
] | null | null | null | null | null | null | 0
| 0
| null |
CO_5070337934268951659373676
|
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[
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0
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[
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[
0,
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]
] |
[
true,
true,
true
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Be4
|
Be
|
A
|
[
"Be"
] |
[
1
] |
[
4,
4,
4,
4
] | 4
| 1
| 3
|
[
1,
1,
1
] |
[
"Elast_FCC_Vol/Elastic_FCC_699"
] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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|
PO_4922922025793541899834341
|
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| 2025-04-16T16:59:46
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -5.632178
|
[
[
0,
0,
0
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[
0,
0,
0
]
] |
[
[
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0,
0
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[
0,
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0
],
[
0,
0,
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]
] | null | null | null | null | null | null | 0
| 0
| null |
CO_6789029843910983942293480
|
6789029843910983942293480464485684467050321289165196127206804845406098915391010338957327352290412582164258873138934513148850829847185925165874417232132194
|
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|
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[
0,
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0
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[
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]
] |
[
[
0,
0,
0
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[
1.37398,
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1.39358
]
] |
[
true,
true,
true
] |
Be2
|
Be
|
A
|
[
"Be"
] |
[
1
] |
[
4,
4
] | 2
| 1
| 3
|
[
1,
1,
1
] |
[
"Elast_BCC_Vol/Elastic_BCC_19"
] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
{"input": {"encut": {"value": 600, "units": "eV"}}, "hash": "6281748854435351772302253557298760168300196311393562166496400109155487061518992225597828250437023020418695408844746626192396165282036203920903677715327235", "id": "MD_6281748854435351772302253"}
|
PO_4922395715791455684820628
|
4922395715791455684820628113996354278440689056215224647037237516569102420676062055106449561368499650349906883512085909082038257381029301844811884682579328
| 2025-04-16T21:22:14
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -8.83062
|
[
[
0,
0,
0
]
] |
[
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DS_yq2whjjndyq5_0
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DS_yq2whjjndyq5_0
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DS_yq2whjjndyq5_0
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VASP
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DS_yq2whjjndyq5_0
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VASP
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| 2025-04-16T18:49:16
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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CO_7748832970539853834285977
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Be4W2
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Be2W
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A2B
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| 2
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1,
1,
1
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[
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data/MD/2253/MD_6281748854435351772302253.json
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PO_4921030486364449379371049
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| 2025-04-16T16:08:33
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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CO_5030485548809837205516223
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Be4
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Be
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A
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| 1
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[
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PO_4929192294462334495439397
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| 2025-04-16T15:44:12
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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Be4
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Be
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A
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[
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[
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1
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[
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data/MD/2253/MD_6281748854435351772302253.json
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PO_4929822119515702338967925
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| 2025-04-16T21:23:51
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -10.839129
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[
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CO_1275727984909979486142945
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BeW
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BeW
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AB
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[
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[
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4
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[
1,
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1
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[
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data/MD/2253/MD_6281748854435351772302253.json
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PO_4929786175369003997424042
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| 2025-04-16T18:04:40
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
| 12.441831
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CO_8439284689905940436067169
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Be4
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Be
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A
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[
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[
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| 1
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[
1,
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1
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[
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data/MD/2253/MD_6281748854435351772302253.json
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PO_4929966440444698101069385
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| 2025-04-16T18:28:43
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
| -256.063326
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CO_6974610331803208411697284
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Be32W16
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Be2W
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A2B
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DS_yq2whjjndyq5_0
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VASP
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DFT-PBE
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DS_yq2whjjndyq5_0
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W12
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A
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| 2025-04-16T21:21:56
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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Be3W
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A3B
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PO_4938067249219960804166842
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| 2025-04-16T20:09:34
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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W12
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A
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| 1
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[
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PO_4927927832636976438331348
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| 2025-04-16T21:37:17
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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Be2
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A
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[
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| 1
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[
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1
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[
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data/MD/2253/MD_6281748854435351772302253.json
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PO_4915501041300583450750742
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| 2025-04-17T18:16:17
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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DS_yq2whjjndyq5_0
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DS_yq2whjjndyq5_0
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DS_yq2whjjndyq5_0
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DS_yq2whjjndyq5_0
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DS_yq2whjjndyq5_0
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DS_yq2whjjndyq5_0
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| 2025-04-16T15:45:08
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DS_yq2whjjndyq5_0
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| 2025-04-16T17:27:47
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DS_yq2whjjndyq5_0
| 1
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PO_4919457113305745436172147
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DS_yq2whjjndyq5_0
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VASP
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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CO_1271292924831902248449651
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| 2025-04-16T21:57:13
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DS_yq2whjjndyq5_0
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VASP
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| 2025-04-16T16:29:35
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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Be12W
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Be12W
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A12B
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| 2025-04-16T20:46:51
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
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BeW
|
BeW
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AB
|
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[
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| 2
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|
[
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1,
1
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[
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data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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PO_4902956253245677228737178
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| 2025-04-16T18:04:13
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DS_yq2whjjndyq5_0
| 1
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VASP
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DFT-PBE
| -226.659915
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| 1.519573
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CO_3694528164945477960033134
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[
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true
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Be36W12
|
Be3W
|
A3B
|
[
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[
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| 2
| 3
|
[
1,
1,
1
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[
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data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
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|
PO_4902906856919179345513846
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| 2025-04-16T17:21:11
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -230.382457
|
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CO_7012860684826012581214006
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Be36W12
|
Be3W
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A3B
|
[
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4,
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4,
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4,
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4
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| 2
| 3
|
[
1,
1,
1
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[
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data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
{"input": {"encut": {"value": 600, "units": "eV"}}, "hash": "6281748854435351772302253557298760168300196311393562166496400109155487061518992225597828250437023020418695408844746626192396165282036203920903677715327235", "id": "MD_6281748854435351772302253"}
|
PO_4904961425607711457057045
|
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| 2025-04-16T21:28:46
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -6.068156
|
[
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0,
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0
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[
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CO_1311737403398650105178598
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true,
true
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Be2
|
Be
|
A
|
[
"Be"
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[
1
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[
4,
4
] | 2
| 1
| 3
|
[
1,
1,
1
] |
[
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data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
{"input": {"encut": {"value": 600, "units": "eV"}}, "hash": "6281748854435351772302253557298760168300196311393562166496400109155487061518992225597828250437023020418695408844746626192396165282036203920903677715327235", "id": "MD_6281748854435351772302253"}
|
PO_4904391739790397933282200
|
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| 2025-04-16T16:10:12
|
DS_yq2whjjndyq5_0
| 1
|
VASP
|
DFT-PBE
| -102.715
|
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[
0,
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0
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[
0,
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0
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] | null | null | null | null | null | null | 4.561204
| 2.671781
| null |
CO_6749121590938636405455167
|
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14.33438035750749,
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[
true,
true,
true
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W12
|
W
|
A
|
[
"W"
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[
1
] |
[
74,
74,
74,
74,
74,
74,
74,
74,
74,
74,
74,
74
] | 12
| 1
| 3
|
[
1,
1,
1
] |
[
"gamma_surface",
"gamma_surface/8783_gamma_surface"
] | null |
data/MD/2253/MD_6281748854435351772302253.json
| null | null | null |
{"input": {"encut": {"value": 600, "units": "eV"}}, "hash": "6281748854435351772302253557298760168300196311393562166496400109155487061518992225597828250437023020418695408844746626192396165282036203920903677715327235", "id": "MD_6281748854435351772302253"}
|
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