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float64 | mean_force_norm
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list | names
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string | hash
string | configuration_metadata
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_6534787473145753641399541
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| 2025-04-16T16:45:47
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_1202254449746743334169838
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| 2025-04-16T16:57:08
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.997485
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DS_w2ngtxl0ep5d_0
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O40Si20
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| 2025-04-16T18:11:21
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1203117153924574577674822
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| 2025-04-16T19:00:21
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.746088
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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| 2025-04-16T16:56:48
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1200674051470588422919557
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| 2025-04-16T19:03:49
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.647524
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O2Si
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PO_1200709445194175146544584
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
|
O2Si
|
A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_1200485770947527521659989
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| 2025-04-16T18:56:50
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.057317
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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| 2025-04-16T15:41:29
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DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -456.427811
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O40Si20
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O2Si
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A2B
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| 2
| 0
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_1200355487343517418410355
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| 2025-04-17T18:37:27
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.225325
|
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[] | null | null | null | null | null | null | 7.773631
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_8450966927220061375081620
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1203265206189173425318980
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| 2025-04-16T16:55:24
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.511869
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_6562111492622833482305350
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| 2025-04-16T18:23:00
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.813195
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_6568188659184583433844115
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| 2025-04-16T16:31:50
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.901033
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_6568307728259877465431901
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| 2025-04-17T18:48:22
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.1548
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[
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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| 2025-04-16T20:14:25
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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| 2025-04-16T18:46:38
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.216532
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O2Si
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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| 2025-04-16T16:05:15
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.054372
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DS_w2ngtxl0ep5d_0
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O40Si20
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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CO_6195303975775457905778009
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O40Si20
|
O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_6561437112899466432336542
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| 2025-04-16T21:56:50
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -455.689632
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O40Si20
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PO_6571808585286409013753935
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 7.231036
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CO_9105190955128283806611665
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O40Si20
|
O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
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PO_6572724680155693349606363
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| 2025-04-16T15:18:29
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.958753
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data/MD/5165/MD_7964639482890510039065165.json
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DS_w2ngtxl0ep5d_0
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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O40Si20
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O2Si
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A2B
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| 2025-04-16T16:56:41
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1205848947818657109181568
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| 2025-04-16T17:12:12
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.37349
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1203898549812172361111095
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| 2025-04-16T20:35:09
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.968585
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1203064790119431801421372
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| 2025-04-16T21:51:00
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.185344
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| 2025-04-16T20:11:35
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.178973
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[] | null | null | null | null | null | null | 6.988813
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CO_3931001895939849114799283
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O40Si20
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O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_1204690549118453461214772
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| 2025-04-16T17:35:02
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.373462
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[] | null | null | null | null | null | null | 6.823454
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CO_8638026880129877576785437
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O40Si20
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O2Si
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A2B
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[
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DS_w2ngtxl0ep5d_0
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DS_w2ngtxl0ep5d_0
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 6.90707
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_1095141169889870330612875
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1207117095310699263787992
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| 2025-04-16T17:31:44
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.947592
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1207171038237546479373086
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| 2025-04-16T21:29:37
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.027446
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1206626778005536999316139
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| 2025-04-16T20:05:02
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.924187
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DS_w2ngtxl0ep5d_0
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VASP
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| 2025-04-16T18:12:40
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DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.807408
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[] | null | null | null | null | null | null | 5.981694
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CO_9831401014852764283990716
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O40Si20
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O2Si
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A2B
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| 2
| 0
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_1207341785017430876344409
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| 2025-04-16T21:43:25
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.083417
|
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[] | null | null | null | null | null | null | 5.721058
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_6586807329267551516044045
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| 2025-04-16T18:32:29
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.272731
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_6582568446362343791681202
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_5624244970102552107857190
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O40Si20
|
O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_6578998777812017490537823
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| 2025-04-16T21:14:40
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.3809
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_6579817075639598024111176
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| 2025-04-16T21:09:01
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.943698
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[] | null | null | null | null | null | null | 8.28243
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_6579344918523674061533247
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.500141
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[] | null | null | null | null | null | null | 8.479548
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CO_1816909437667449511346547
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O40Si20
|
O2Si
|
A2B
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[
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[
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| 2
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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|
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