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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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data/MD/2427/MD_8957425062916214148262427.json
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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DFT-PBE-TS
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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DFT-PBE-TS
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data/MD/2427/MD_8957425062916214148262427.json
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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DS_xaq6jwha0a7o_0
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DS_xaq6jwha0a7o_0
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Quantum ESPRESSO v6.3
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[
6,
6,
6,
6,
1,
1,
1,
1,
6,
6,
6,
6,
1,
1,
1,
1,
6,
6,
6,
6,
1,
1,
1,
1
] | 24
| 2
| 3
|
[
1,
1,
1
] |
[
"benzene_val_QE_PBE_TS",
"benzene_val_AIMS_PBE0_MBD"
] | null |
data/MD/0770/MD_6128271349992784112950770.json
| null | null | null |
{"input": {"encut": "100 Ry", "kpoints": "4x4x3"}, "hash": "6128271349992784112950770003156090636971191461361844600573655401156063516100927885987938775519686517021665543104333342868956408644181370884156876570064493", "id": "MD_6128271349992784112950770"}
|
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