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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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data/MD/7522/MD_1091885006026950875507522.json
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{"input": {"encut": {"value": 42, "units": "Ry"}, "kspacing": {"value": 0.2, "units": "Ang^-1"}}, "hash": "3592753035649081965693457215672852401445165267137394292685391428491274929020112919567349937673138123768489898693829296236882327256264852983877693996641003", "id": "MD_3592753035649081965693457"}
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PO_8625561418343334446403929
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| 2025-04-16T21:13:40
|
DS_vywqeohskg2j_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE
| -23,539.326377
|
[] |
[] | null | null | null | null | null | null | null | null | null |
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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data/MD/3457/MD_3592753035649081965693457.json
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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DFT-PBE
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[] |
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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DS_vywqeohskg2j_0
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DS_vywqeohskg2j_0
| 1
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Quantum ESPRESSO
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DFT-PBE
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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DFT-PBE
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DS_vywqeohskg2j_0
| 1
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Quantum ESPRESSO
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DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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DS_vywqeohskg2j_0
| 1
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Quantum ESPRESSO
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DFT-PBE
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[] |
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CO_5802728380708046857555346
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DS_vywqeohskg2j_0
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DS_vywqeohskg2j_0
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DS_vywqeohskg2j_0
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DS_vywqeohskg2j_0
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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/4360/MD_2545535083768131627274360.json
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PO_3198477611109158571242172
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| 2025-04-16T17:32:46
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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DFT-PBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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DS_vywqeohskg2j_0
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DS_vywqeohskg2j_0
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[] |
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DS_vywqeohskg2j_0
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data/MD/4360/MD_2545535083768131627274360.json
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DS_vywqeohskg2j_0
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[] |
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{"input": {"encut": {"value": 42, "units": "Ry"}, "kspacing": {"value": 0.2, "units": "Ang^-1"}}, "hash": "3592753035649081965693457215672852401445165267137394292685391428491274929020112919567349937673138123768489898693829296236882327256264852983877693996641003", "id": "MD_3592753035649081965693457"}
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PO_4829306009728545108963947
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4829306009728545108963947636602401640439525981222137839904714291857485659273897186120890744237978857235283147531225364429959071159392976791430552783672113
| 2025-04-16T18:08:56
|
DS_vywqeohskg2j_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE
| -23,539.446903
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2587194476788705613497858
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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H8Si64
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HSi8
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A8B
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[
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data/MD/3457/MD_3592753035649081965693457.json
|
data/MD/7522/MD_1091885006026950875507522.json
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