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int32 | dimension_types
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string | configuration_metadata_path
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DS_paehju6qhaym_0
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VASP
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/9504/MD_1173559056392754289299504.json
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PO_4399472836466562547146597
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| 2025-04-16T21:13:01
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0827/MD_3907410238803425412900827.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/1603/MD_8582531181909733807831603.json
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DS_paehju6qhaym_0
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VASP
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/6128/MD_1324515035793308229006128.json
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| 2025-04-16T21:22:14
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/3149/MD_1279336441489867575443149.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/3125/MD_6007368237923268516103125.json
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PO_4821066850706742370852586
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| 2025-04-16T21:12:08
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1229/MD_6937983401418228364581229.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/4417/MD_6644552372249613098444417.json
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/7518/MD_1045109413116569802697518.json
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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/8748/MD_7722005099031066986898748.json
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PO_4890696611335420965274339
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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data/MD/6434/MD_1096254862667673723986434.json
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DS_paehju6qhaym_0
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VASP
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/6580/MD_1280226535564683990336580.json
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PO_4901763315295282747097573
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DS_paehju6qhaym_0
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VASP
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] |
[
true,
true,
true
] |
Si64
|
Si
|
A
|
[
"Si"
] |
[
1
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[
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14,
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14,
14,
14,
14,
14,
14,
14,
14,
14
] | 64
| 1
| 3
|
[
1,
1,
1
] |
[
"Si_md_557"
] | null |
data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/5631/MD_3175165726328466086555631.json
| null |
{"kinetic-energy": 4.942122, "temperature": 606.88, "hash": "3175165726328466086555631800836969572748502151212193155561293672122389012768642402113658982731019527294276116236627303558028171456815987133104610402614954", "id": "MD_3175165726328466086555631"}
|
{"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"}
|
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