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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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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_1056967842465479429586056
|
10569678424654794295860565464201416384837217799472430507487156540297010832528448190529597247575719812081770429795234163728601276992604373838930937075254120
| 2025-04-16T21:37:22
|
DS_vywqeohskg2j_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE
| -38,955.719156
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5291258071254256948387783
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DS_vywqeohskg2j_0
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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/3746/MD_7584038997252648074523746.json
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| 2025-04-17T18:48:22
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DS_vywqeohskg2j_0
| 1
|
Quantum ESPRESSO
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DFT-PBE
| -6,935.019731
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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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data/MD/4360/MD_2545535083768131627274360.json
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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[] |
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Quantum ESPRESSO
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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_5150723161203368025915557
|
5150723161203368025915557680065443096262135844308451289224751960904861796363549871903354108095163621065376136053348053016034469578098324152348598253284630
| 2025-04-16T20:57:06
|
DS_vywqeohskg2j_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE
| -38,956.352975
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9403949393660156952942256
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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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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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[] |
[] | null | null | null | null | null | null | null | null | null |
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| null |
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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_5562130985085316811359317
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5562130985085316811359317545975498528593529996875093266890040102920171596153590229712531744963108986382480668434144445339718051972319281764983955362135358
| 2025-04-16T20:15:53
|
DS_vywqeohskg2j_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE
| -38,936.325924
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4047759203841164961534388
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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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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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DFT-PBE
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[] |
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H7Si54
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A54B7
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[
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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/3746/MD_7584038997252648074523746.json
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{"energy-sigma": 2.44, "virial-sigma": NaN, "hash": "7584038997252648074523746768388533275890529970621374575678945030580031430635231372032298601515804860148422862279220833699558899085668333103984618765582140", "id": "MD_7584038997252648074523746"}
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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_1154021654811977085797075
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| 2025-04-16T21:28:46
|
DS_vywqeohskg2j_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE
| -23,539.684693
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5693770808343059563126404
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DS_vywqeohskg2j_0
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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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data/MD/4360/MD_2545535083768131627274360.json
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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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Quantum ESPRESSO
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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DFT-PBE
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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/4360/MD_2545535083768131627274360.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
| 1
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Quantum ESPRESSO
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DFT-PBE
| -6,936.708409
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[] |
[] | null | null | null | null | null | null | null | null | null |
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data/MD/7522/MD_1091885006026950875507522.json
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| 2025-04-16T17:42:42
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DS_vywqeohskg2j_0
| 1
|
Quantum ESPRESSO
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DFT-PBE
| -6,938.335576
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[] |
[] | null | null | null | null | null | null | null | null | null |
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| 2025-04-16T18:52:40
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DS_vywqeohskg2j_0
| 1
|
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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Quantum ESPRESSO
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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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[] |
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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/3746/MD_7584038997252648074523746.json
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PO_6629356871346441290736201
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| 2025-04-16T16:28:13
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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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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/4360/MD_2545535083768131627274360.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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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/4360/MD_2545535083768131627274360.json
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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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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/3746/MD_7584038997252648074523746.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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DS_vywqeohskg2j_0
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Quantum ESPRESSO
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DFT-PBE
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data/MD/7522/MD_1091885006026950875507522.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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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/4360/MD_2545535083768131627274360.json
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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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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/4360/MD_2545535083768131627274360.json
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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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Quantum ESPRESSO
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[] |
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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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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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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/3746/MD_7584038997252648074523746.json
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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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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/4360/MD_2545535083768131627274360.json
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{"energy-sigma": 3.88, "virial-sigma": NaN, "hash": "254553508376813162727436081896574122664662426866720997500606330790834057589957543357545168504100514975853061117916210241542259507683261771813235610532566", "id": "MD_2545535083768131627274360"}
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PO_1340152600140633808897671
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| 2025-04-16T17:26:05
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DS_vywqeohskg2j_0
| 1
|
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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Quantum ESPRESSO
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[] |
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DS_vywqeohskg2j_0
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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/3746/MD_7584038997252648074523746.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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data/MD/3457/MD_3592753035649081965693457.json
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data/MD/4360/MD_2545535083768131627274360.json
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| 2025-04-16T16:56:16
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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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[
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H28Si216
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H7Si54
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A54B7
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[
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[
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data/MD/3457/MD_3592753035649081965693457.json
|
data/MD/3746/MD_7584038997252648074523746.json
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{"energy-sigma": 2.44, "virial-sigma": NaN, "hash": "7584038997252648074523746768388533275890529970621374575678945030580031430635231372032298601515804860148422862279220833699558899085668333103984618765582140", "id": "MD_7584038997252648074523746"}
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