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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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O4Ru28
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ORu7
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A7B
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DS_cpgyq72fs7uk_0
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Co8Mg8Pb8Ti8
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CoMgPbTi
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ABCD
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PO_2809936745959182859639307
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CO_1277630613273478362056530
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AgAlAuBaC2ClCoCrCuFInLiMo3NaPPbPd2SScSi2Sn3Ti2V2
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A3B3C2D2E2F2G2HIJKLMNOPQRSTUVW
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2808385302179505784041337
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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F16K16
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FK
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AB
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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Mg16N16
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MgN
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AB
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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| 2025-04-16T18:55:55
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_3237794520587434847960624
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Mn16Ti16
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MnTi
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AB
|
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9328657950873397397763607
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| 2025-04-16T18:56:42
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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Ag16Zn16
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AgZn
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AB
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9337051599209169679966339
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| 2025-04-16T15:44:43
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 4.476701
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true
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Au16V16
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AuV
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AB
|
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9337692764016896818534530
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| 2025-04-16T21:56:50
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 4.763172
| 2.397031
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CO_1050916359747747324797378
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true
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AgMnMoPbPd2Ru2
|
AgMnMoPbPd2Ru2
|
A2B2CDEF
|
[
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[
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[
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25
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| 6
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9331330447218289473112435
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| 2025-04-16T17:31:20
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_1268727007259088542900418
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true
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H2Ag6Cl4Co2Cr2Cu2K4Mg2Mn2O2Pt4
|
Ag3Cl2CoCrCuHK2MgMnOPt2
|
A3B2C2D2EFGHIJK
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[
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78,
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78,
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| 11
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|
[
1,
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9331187710556598146169489
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| 2025-04-16T16:02:27
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CO_5102052170721612906235850
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Ag28Ba4
|
Ag7Ba
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A7B
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| 2
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9338264891711469913506390
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| 2025-04-16T17:54:01
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 4.811212
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CO_1281052923467428344784644
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Li16Sn16
|
LiSn
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AB
|
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9342431770634910269919714
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| 2025-04-16T21:38:17
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 7.341941
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CO_1254174986752046056934192
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AlAuBa2CCl2Cr2Cu3FeMg2Mn3MoNNa2OPt2RuSSn3TiV
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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Ca16O16
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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V32
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V
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A
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9353519608419527106212234
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| 2025-04-17T17:45:49
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 1.941772
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CO_5679175610718921763807741
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HAlClKLiMoSZn
|
AlClHKLiMoSZn
|
ABCDEFGH
|
[
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| 8
| 3
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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Mo16Si16
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MoSi
|
AB
|
[
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"Si"
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[
0.5,
0.5
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42,
42,
42,
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42,
42,
42,
42,
42
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| 2
| 3
|
[
1,
1,
1
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[
"hme21_test_1541"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9354495161971139899209953
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| 2025-04-16T20:44:25
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 7.89607
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CO_7943341918267460536816446
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[
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true,
true
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C2H2Ca2Cl4Cr2Li2N2P4Pt4Ru2Sc2V2Zn2
|
CCaCl2CrHLiNP2Pt2RuScVZn
|
A2B2C2DEFGHIJKLM
|
[
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"N",
"P",
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3,
3
] | 32
| 13
| 3
|
[
1,
1,
1
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[
"hme21_test_429"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9352488486550711444807654
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| 2025-04-16T15:43:52
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -163.093977
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[
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[] | null | null | null | null | null | null | 8.871516
| 3.344534
| null |
CO_5609214751031926720020634
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[
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[
true,
true,
true
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HAgCaCo4Cr3CuF2Ir4LiMnMoNOPPbPtRu3SnTi2Zn
|
AgCaCo4Cr3CuF2HIr4LiMnMoNOPPbPtRu3SnTi2Zn
|
A4B4C3D3E2F2GHIJKLMNOPQRST
|
[
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24,
1,
15,
7,
50,
78,
30,
9,
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3
] | 32
| 20
| 3
|
[
1,
1,
1
] |
[
"hme21_test_1655"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_2842306323226395375405051
|
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| 2025-04-16T16:07:30
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -151.916051
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[
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[
1.66061357,
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] |
[] | null | null | null | null | null | null | 8.091515
| 2.761453
| null |
CO_5035375289228949027802904
|
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AgAlAuCaCo2CuKMgMo2N2NaOP3PtRu2ScSiSn4Ti5
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AgAlAuCaCo2CuKMgMo2N2NaOP3PtRu2ScSiSn4Ti5
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A5B4C3D2E2F2G2HIJKLMNOPQRS
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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In28Sn4
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In7Sn
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A7B
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T21:51:00
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 8.424694
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CO_9934706785007336643068359
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H2Ca2Cu2In2Li2Mn2N2Na4O2Pt2Rh4Ru2S2V2
|
CaCuHInLiMnNNa2OPtRh2RuSV
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A2B2CDEFGHIJKLMN
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| 14
| 3
|
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9366150749084056325964536
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| 2025-04-16T16:28:27
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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Mg32
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Mg
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A
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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Cr16Rh16
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CrRh
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AB
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9363546810440746404645792
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| 2025-04-16T16:26:23
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CO_1044524187418284271340937
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Fe10O20
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FeO2
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A2B
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9377374386474758258033433
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 3.603397
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HAuKMoNNaPPb
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AuHKMoNNaPPb
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ABCDEFGH
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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H2Ag2Al2Ba2Co2Cr2Cu2F2Fe2In2Mg2N2O2Pt2Sc4
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AgAlBaCoCrCuFFeHInMgNOPtSc2
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A2BCDEFGHIJKLMNO
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T20:24:05
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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true
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CCoNNaOSSiTi
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CCoNNaOSSiTi
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ABCDEFGH
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| 8
| 3
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1,
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9424320578991929609386811
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| 2025-04-16T16:26:36
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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H2Ag6Cl4Co2Cr2Cu2K4Mg2Mn2O2Pt4
|
Ag3Cl2CoCrCuHK2MgMnOPt2
|
A3B2C2D2EFGHIJK
|
[
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78,
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| 11
| 3
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[
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1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2871286977133371709313539
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| 2025-04-16T16:03:51
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[
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[] | null | null | null | null | null | null | 3.883268
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CO_7808023780978458489375461
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BaCaClInMnSSiSn
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BaCaClInMnSSiSn
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ABCDEFGH
|
[
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2873073238452686056643649
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| 2025-04-16T20:58:52
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 11.909371
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CO_9853773356880542681755537
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C2Au2Cl6Cr4F2Fe2O2Pt4Rh4S2V2
|
AuCCl3Cr2FFeOPt2Rh2SV
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A3B2C2D2EFGHIJK
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[
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| 11
| 3
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9397784470872929649239784
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| 2025-04-16T17:29:43
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DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 7.467113
| 2.462212
| null |
CO_5645090055270235139202728
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F16Pd16
|
FPd
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AB
|
[
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[
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| 2
| 3
|
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1,
1
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[
"hme21_test_891"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9405486975409243626858198
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| 2025-04-17T17:56:16
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -13.852815
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[] | null | null | null | null | null | null | 18.653389
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CO_1097213972302091559322409
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Ni16Zn16
|
NiZn
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AB
|
[
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[
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| 3
|
[
1,
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9408586212624087960358634
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| 2025-04-16T21:28:46
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 1.931062
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FeLiNNaPPb2Si
|
FeLiNNaPPb2Si
|
A2BCDEFG
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|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9408908610076271129084025
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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true
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Mg16Ni16
|
MgNi
|
AB
|
[
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[
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2889182611716044337683539
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| 2025-04-16T18:14:17
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -82.73421
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[] | null | null | null | null | null | null | 4.1981
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CO_3388426872934707688134808
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Co8Na8Sc8Zn8
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CoNaScZn
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ABCD
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[
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[
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| 4
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[
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T20:04:53
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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A2BCDEFG
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9422541758412981625232597
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| 2025-04-16T16:47:26
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CHAgAlAuBa2CuKNNiOPbRhRuSc
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AgAlAuBa2CCuHKNNiOPbRhRuSc
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A2BCDEFGHIJKLMNO
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[
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T18:27:25
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CO_5641217536415293122922691
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AgAl2Au2Co2Cr4CuFHIn2IrMgMoNNaNiO2PPdPt2RhSSnZn
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2899879190245041080228659
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| 2025-04-16T17:15:37
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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N32
|
N
|
A
|
[
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[
1
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| 1
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|
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2900146131471959536421258
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| 2025-04-16T21:04:14
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 10.335938
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CO_7879049822867440609644405
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CHAu2IrNaSSi
|
Au2CHIrNaSSi
|
A2BCDEFG
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[
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| 7
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9441726522796218687387746
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| 2025-04-16T20:58:52
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_5864351273068892788682036
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[
true,
true,
true
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CAuCa2CrF2FeIr2MgMoNNiPd2Pt2RhRuSc3SiSn4V3Zn
|
AuCCa2CrF2FeIr2MgMoNNiPd2Pt2RhRuSc3SiSn4V3Zn
|
A4B3C3D2E2F2G2H2IJKLMNOPQRST
|
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78,
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28,
44,
26,
45,
7
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| 20
| 3
|
[
1,
1,
1
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[
"hme21_test_523"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9454361786210748975920975
|
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| 2025-04-16T17:07:04
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -72.345666
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[
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[
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[] | null | null | null | null | null | null | 3.377467
| 1.459689
| null |
CO_1872703237722227157971661
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true,
true
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H3BaCaCoInIrMgMnNRhSc2TiZn
|
BaCaCoH3InIrMgMnNRhSc2TiZn
|
A3B2CDEFGHIJKLM
|
[
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56,
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22,
30,
20,
27,
12
] | 16
| 13
| 3
|
[
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1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_2904492924192677848079536
|
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| 2025-04-16T20:20:45
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -97.29386
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CO_7092511180671640893794670
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Au8Mg8Rh8Zn8
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AuMgRhZn
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ABCD
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[
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1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2909556099631973201877404
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CO_8177834753356161078424543
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true
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Ag8Cl8Mo8N8
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AgClMoN
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ABCD
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7
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| 4
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2907282639973167805379846
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| 2025-04-17T18:37:27
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 6.918196
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CO_3042965602601661161419364
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true,
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true
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N16V16
|
NV
|
AB
|
[
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[
0.5,
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23,
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23,
23
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| 2
| 3
|
[
1,
1,
1
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[
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] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_2910737226700373037528190
|
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| 2025-04-16T20:24:25
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -28.438468
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[
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[
0.81141418,
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[] | null | null | null | null | null | null | 10.72533
| 3.756186
| null |
CO_7614467801374514845840416
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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Ba16F16
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2926437493607981352899093
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[
7.52840264,
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[
true,
true,
true
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Pb16Ru16
|
PbRu
|
AB
|
[
"Pb",
"Ru"
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[
0.5,
0.5
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[
44,
44,
44,
44,
44,
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44,
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44,
44,
44,
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82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 32
| 2
| 3
|
[
1,
1,
1
] |
[
"hme21_test_28"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2925073772074087308838067
|
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| 2025-04-16T16:08:33
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -115.430805
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[] | null | null | null | null | null | null | 6.190771
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CO_1281692142551053148022009
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[
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[
true,
true,
true
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Al28Mn4
|
Al7Mn
|
A7B
|
[
"Al",
"Mn"
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[
0.875,
0.125
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[
13,
13,
13,
13,
13,
13,
13,
13,
13,
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13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
25,
25,
25,
25
] | 32
| 2
| 3
|
[
1,
1,
1
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[
"hme21_test_1639"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2920195829666548244047031
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| 2025-04-16T20:08:38
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -113.866997
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[
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[
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[] | null | null | null | null | null | null | 13.066267
| 4.083834
| null |
CO_1024352000502120458785923
|
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[
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[
true,
true,
true
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C4Ag2Au4Ca2Cl2F2Ir2Li2Na2Rh2Ru2V2Zn4
|
AgAu2C2CaClFIrLiNaRhRuVZn2
|
A2B2C2DEFGHIJKLM
|
[
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"C",
"Ca",
"Cl",
"F",
"Ir",
"Li",
"Na",
"Rh",
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"V",
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47,
11,
11,
17,
17,
44,
44,
77,
77,
9,
9
] | 32
| 13
| 3
|
[
1,
1,
1
] |
[
"hme21_test_450"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_2920611796737870990651847
|
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| 2025-04-16T19:05:33
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -126.027397
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[
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DS_cpgyq72fs7uk_0
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DS_cpgyq72fs7uk_0
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[] | null | null | null | null | null | null | 5.36508
| 2.550603
| null |
CO_8702297946806288511703059
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true,
true
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Au8Ba8Ca8Sn8
|
AuBaCaSn
|
ABCD
|
[
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"Ca",
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[
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50,
79,
79,
79,
79,
79,
79,
79,
79
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| 4
| 3
|
[
1,
1,
1
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[
"hme21_test_1070"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2949262916919949224262057
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| 2025-04-16T17:56:02
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -24.765662
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[
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[] | null | null | null | null | null | null | 19.713112
| 10.002857
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CO_8960186257905257728712594
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[
true,
true,
true
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C2AlCaClCoInKMgNaPPbPdPtSiSn
|
AlC2CaClCoInKMgNaPPbPdPtSiSn
|
A2BCDEFGHIJKLMNO
|
[
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"Cl",
"Co",
"In",
"K",
"Mg",
"Na",
"P",
"Pb",
"Pd",
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[
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0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
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0.0625,
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6,
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19,
14,
17,
50,
78,
11,
82,
46
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| 15
| 3
|
[
1,
1,
1
] |
[
"hme21_test_1495"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_2950591760943062654041788
|
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| 2025-04-16T21:51:46
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -32.262714
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[
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[
1.13283388,
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4.17923725
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[] | null | null | null | null | null | null | 4.683802
| 1.6483
| null |
CO_1268400277824397001961317
|
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[
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[
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[
true,
true,
true
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Cu32
|
Cu
|
A
|
[
"Cu"
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[
1
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[
29,
29,
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29,
29,
29,
29,
29,
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29,
29,
29,
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 32
| 1
| 3
|
[
1,
1,
1
] |
[
"hme21_test_61"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_2941347202586903168653319
|
2941347202586903168653319177643098416250783890940002259821681169810756869213536687864905712926435799440973908706247176754947772952398502093529642400435834
| 2025-04-16T21:28:46
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -29.181583
|
[
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[
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0.2316399,
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] |
[] | null | null | null | null | null | null | 3.180652
| 1.666098
| null |
CO_1057971398104699065651790
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Mg16Ni16
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MgNi
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AB
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[
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9480813886697679740012014
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| 2025-04-16T21:37:17
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 3.95563
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CO_1021086182859152303669295
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Ba2Ca2Co2Cr2K2Li2Mo2Na2Ni2O2Pd2S2V4Zn4
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BaCaCoCrKLiMoNaNiOPdSV2Zn2
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A2B2CDEFGHIJKLMN
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| 14
| 3
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2957945874257860894669322
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| 2025-04-16T16:07:38
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 11.827871
| 4.811815
| null |
CO_1068506398267591289071048
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Ag2Ba2Ca4Co2Cr4F2Ni4P2S2Ti4V2Zn2
|
AgBaCa2CoCr2FNi2PSTi2VZn
|
A2B2C2D2EFGHIJKL
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| 12
| 3
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2956812394237847374020953
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| 2025-04-16T18:44:42
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -146.429321
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Fe10O20
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FeO2
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A2B
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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C6H2Ba2Cl4Cr2Ir2Mn2N4Na2Pb2Sc2Zn2
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BaC3Cl2CrHIrMnN2NaPbScZn
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A3B2C2DEFGHIJKL
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| 12
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2968323584351814427688389
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| 2025-04-16T18:09:08
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 8.859176
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CO_2686989925916733066135405
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Ba2Ca2Fe2Li2Mo2P2Pb2Pt4Ru2S4Sc2Si2Sn2Zn2
|
BaCaFeLiMoPPbPt2RuS2ScSiSnZn
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| 14
| 3
|
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9488460891087814999640507
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| 2025-04-16T20:47:27
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
| -56.114855
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[
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[] | null | null | null | null | null | null | 7.08609
| 3.304943
| null |
CO_8054359907062110330898835
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[
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[
true,
true,
true
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AuCaClCoCrCuFeInLiNaPdRhRuScSnTi
|
AuCaClCoCrCuFeInLiNaPdRhRuScSnTi
|
ABCDEFGHIJKLMNOP
|
[
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29,
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| 16
| 3
|
[
1,
1,
1
] |
[
"hme21_test_2460"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9488633589100026227401244
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| 2025-04-17T18:37:27
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DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
| -125.859616
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[] | null | null | null | null | null | null | 13.820229
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CO_1065460436226858948358523
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[
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[
true,
true,
true
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CH3AgAl2AuCa2CrCuFIn2IrKMn2N2NaNiO2PRuSSi2TiZn
|
AgAl2AuCCa2CrCuFH3In2IrKMn2N2NaNiO2PRuSSi2TiZn
|
A3B2C2D2E2F2G2H2IJKLMNOPQRSTUVW
|
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6
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| 23
| 3
|
[
1,
1,
1
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[
"hme21_test_963"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2982068845724455993793958
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| 2025-04-16T18:49:16
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -93.26034
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[
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[
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] |
[] | null | null | null | null | null | null | 9.211864
| 3.572934
| null |
CO_6661920662335918135151653
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[
true,
true,
true
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Ag2Ba6CrInIrK2LiMgMn3NaNiP2Pb2Rh2RuSSnTiVZn
|
Ag2Ba6CrInIrK2LiMgMn3NaNiP2Pb2Rh2RuSSnTiVZn
|
A6B3C2D2E2F2G2HIJKLMNOPQRST
|
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| 20
| 3
|
[
1,
1,
1
] |
[
"hme21_test_382"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_2987818252711897041846954
|
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| 2025-04-16T18:55:36
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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DS_cpgyq72fs7uk_0
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Al2Au2InIrKLi2MoOPPtRh2Ti
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A2B2C2D2EFGHIJKL
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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| 2025-04-16T21:22:14
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -192.355996
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[] | null | null | null | null | null | null | 6.415269
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CO_7042005360709552170059842
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C8F8Mo8Sc8
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CFMoSc
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ABCD
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2965555667285299025041951
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| 2025-04-16T17:29:32
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 5.789423
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CO_3816995887039022666755544
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Ag2Al2Ca2Co2Cu4In4Mg2Mn4Ni2Pb2S2Sc2Si2
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AgAlCaCoCu2In2MgMn2NiPbSScSi
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A2B2C2DEFGHIJKLM
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2985398499203765190329456
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| 2025-04-16T17:47:41
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[
true,
true,
true
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Cl28Ru4
|
Cl7Ru
|
A7B
|
[
"Cl",
"Ru"
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[
0.875,
0.125
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17,
17,
17,
17,
44,
44,
44,
44
] | 32
| 2
| 3
|
[
1,
1,
1
] |
[
"hme21_test_2236"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2986039534992822857323670
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| 2025-04-16T16:10:07
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
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[] | null | null | null | null | null | null | 7.586715
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CO_5959340989736526364591183
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true,
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true
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Cu16F16
|
CuF
|
AB
|
[
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"F"
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[
0.5,
0.5
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9,
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| 2
| 3
|
[
1,
1,
1
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[
"hme21_test_349"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9496807143931036433546105
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| 2025-04-16T16:03:23
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
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[] | null | null | null | null | null | null | 8.241186
| 2.900084
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CO_6156260103843189048291010
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[
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true,
true
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K8Mo8Pb8Rh8
|
KMoPbRh
|
ABCD
|
[
"K",
"Mo",
"Pb",
"Rh"
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[
0.25,
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0.25,
0.25
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82,
82,
82,
82,
82,
82,
82,
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| 4
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_9504077001835685257103489
|
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| 2025-04-16T17:13:10
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -215.252584
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[
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[
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[] | null | null | null | null | null | null | 16.398464
| 6.288763
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CO_1186025565703550477922347
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true
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N16Ru16
|
NRu
|
AB
|
[
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7,
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7,
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| 2
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3000495245962169203998108
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 3.212026
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CO_3743096684232653579632312
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CCoFeMnPbSnTiZn
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CCoFeMnPbSnTiZn
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ABCDEFGH
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[
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3026798730406439661764900
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| 2025-04-16T21:29:37
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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C2AlAuCoFIrNaNiOPdPtRhTi2Zn
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AlAuC2CoFIrNaNiOPdPtRhTi2Zn
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A2B2CDEFGHIJKLMN
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[
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45
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| 14
| 3
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[
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3001523353736020490233511
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| 2025-04-16T22:03:29
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 9.298652
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CO_1081806174287041351677459
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Cu16Rh16
|
CuRh
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AB
|
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| 2
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3018905854431843443960557
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| 2025-04-16T21:28:46
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 9.606003
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CO_1828736456433268283951334
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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O16Rh16
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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ABCDEFGH
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3009275527799982793916323
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| 2025-04-17T17:56:16
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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true,
true,
true
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In16Sc16
|
InSc
|
AB
|
[
"In",
"Sc"
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[
0.5,
0.5
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21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21
] | 32
| 2
| 3
|
[
1,
1,
1
] |
[
"hme21_test_1266"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3014653878699263694949579
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| 2025-04-16T17:29:12
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DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 11.103942
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CO_1952021420803741329888398
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true,
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true
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Ir16Ru16
|
IrRu
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AB
|
[
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[
0.5,
0.5
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44,
44,
44,
44,
44,
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44,
44,
44
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| 2
| 3
|
[
1,
1,
1
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[
"hme21_test_822"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_3007463765419463621445955
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| 2025-04-16T18:39:28
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DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
| -122.369195
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[] | null | null | null | null | null | null | 8.965975
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CO_7025376351483670164558193
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[
true,
true,
true
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Ag8Cu8Ru8Si8
|
AgCuRuSi
|
ABCD
|
[
"Ag",
"Cu",
"Ru",
"Si"
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[
0.25,
0.25,
0.25,
0.25
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14,
14,
14,
14,
44,
44,
44,
44,
44,
44,
44,
44
] | 32
| 4
| 3
|
[
1,
1,
1
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[
"hme21_test_634"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_3003698513661203427401661
|
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| 2025-04-16T16:20:57
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -125.250671
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[
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[
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] |
[] | null | null | null | null | null | null | 6.292915
| 2.386424
| null |
CO_8117241691640863486904801
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DS_cpgyq72fs7uk_0
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DS_cpgyq72fs7uk_0
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AuBaInMnNaPbSSc
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ABCDEFGH
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DS_cpgyq72fs7uk_0
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DFT-PBE
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C3HAg2Au2CaClCuF2IrKMoNNa3OPb2PdPtRuS4SiZn
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Ag2Au2C3CaClCuF2HIrKMoNNa3OPb2PdPtRuS4SiZn
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A4B3C3D2E2F2G2HIJKLMNOPQRSTU
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9535680811320168191999514
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| 2025-04-16T21:23:51
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CO_6957168566030397804793596
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Pd32
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Pd
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A
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9538961462318823285543202
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| 2025-04-16T20:31:48
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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HCrFNaNiSiZn2
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CrFHNaNiSiZn2
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A2BCDEFG
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9538130720364770195454517
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| 2025-04-16T18:08:39
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_4019950356875488122726305
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HAg4Al3Cr2CuFK2Mg2MoNiPPd2RhSScSn2Ti3VZn2
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Ag4Al3Cr2CuFHK2Mg2MoNiPPd2RhSScSn2Ti3VZn2
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A4B3C3D2E2F2G2H2I2JKLMNOPQRS
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| 19
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9539914594492817473741405
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| 2025-04-16T21:09:01
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
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[
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],
[
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[
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[
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[
0.26221305,
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],
[
1.12323992,
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],
[
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2.2914614,
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],
[
-0.17325925,
-0.46613242,
-0.11765402
]
] |
[] | null | null | null | null | null | null | 7.108694
| 2.858906
| null |
CO_1155406101693427204744163
|
11554061016934272047441636124653630539628529323805957549133663810740865658840498838516211333231504034936652305816753948981292232468360470576683389631310287
|
11700813547573816201487525487346538926541263373190259515851008772062525125612573404581217403013929596195226678794909723061852098496864417912567313153053054
|
[
[
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0
],
[
0,
8.8,
0
],
[
0,
0,
8.8
]
] |
[
[
0.04977359,
6.2299439,
6.02362094
],
[
3.27881286,
5.20157827,
3.01781982
],
[
8.60505114,
8.44648702,
7.5334827
],
[
2.55502491,
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7.94089173
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[
5.68521756,
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3.00968457,
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
5.87985218,
1.52673805,
5.02457956
],
[
7.23420614,
3.92006287,
1.85675961
]
] |
[
true,
true,
true
] |
C8Co8Fe8Zn8
|
CCoFeZn
|
ABCD
|
[
"C",
"Co",
"Fe",
"Zn"
] |
[
0.25,
0.25,
0.25,
0.25
] |
[
27,
27,
27,
27,
27,
27,
27,
27,
26,
26,
26,
26,
26,
26,
26,
26,
30,
30,
30,
30,
30,
30,
30,
30,
6,
6,
6,
6,
6,
6,
6,
6
] | 32
| 4
| 3
|
[
1,
1,
1
] |
[
"hme21_test_715"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
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