Datasets:
colabfit
/
23-Single-Element-DNPs_RSCDD_2023-Cu

Dataset card Data Studio Files
xet
Community
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string
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last_modified
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2025-04-16T17:29:43
DS_dc3o40aou2le_0
1
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Cu32
Cu
A
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2025-04-16T20:04:53
DS_dc3o40aou2le_0
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DFT-PBE
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Cu16
Cu
A
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2025-04-16T21:57:13
DS_dc3o40aou2le_0
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Cu32
Cu
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2025-04-16T20:44:25
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu48
Cu
A
[ "Cu" ]
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48
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
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PO_9644705719784323465615898
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2025-04-16T17:31:44
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu15
Cu
A
[ "Cu" ]
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15
1
0
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null
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data/MD/9257/MD_8629312491804937715709257.json
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PO_3133925057190738233034241
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2025-04-16T19:03:49
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu16
Cu
A
[ "Cu" ]
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16
1
0
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null
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2025-04-17T18:26:41
DS_dc3o40aou2le_0
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2025-04-16T18:03:25
DS_dc3o40aou2le_0
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2025-04-16T16:29:32
DS_dc3o40aou2le_0
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2025-04-16T18:22:38
DS_dc3o40aou2le_0
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Cu32
Cu
A
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/7091/MD_1001864881812158934307091.json
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2025-04-16T20:42:25
DS_dc3o40aou2le_0
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0342/MD_4457740524666660225640342.json
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PO_3152717257351394575213103
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2025-04-16T18:55:10
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-73.093613
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/7091/MD_1001864881812158934307091.json
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PO_3161872142888709949032793
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2025-04-16T17:47:41
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-38.126648
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Cu16
Cu
A
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data/MD/0125/MD_9023465436536084198450125.json
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PO_9663210362061021918601497
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2025-04-16T16:07:46
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-48.96772
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Cu16
Cu
A
[ "Cu" ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
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PO_9661115958848782863128429
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2025-04-16T21:09:01
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-142.99115
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Cu48
Cu
A
[ "Cu" ]
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48
1
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
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PO_9661548127156876706314550
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2025-04-16T21:43:16
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-113.44046
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Cu33
Cu
A
[ "Cu" ]
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33
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/6635/MD_8495636077538216939536635.json
null
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PO_9664328223377350941567324
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2025-04-16T18:16:44
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-83.025703
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Cu32
Cu
A
[ "Cu" ]
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32
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[ "Cu_iter1_0_mp-30_elastic_B222_dist03_3_350_2" ]
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0342/MD_4457740524666660225640342.json
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PO_9688336565395539044634834
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2025-04-16T17:20:02
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-155.267883
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Cu48
Cu
A
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48
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
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PO_3168604016698006322135244
316860401669800632213524453052689527536715001215000619024756702366912717761746757291312440205717201100633528386817359375308103428635760841689680257401960
2025-04-16T21:13:01
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-151.90654
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Cu48
Cu
A
[ "Cu" ]
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48
1
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
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PO_3171664352399570926041934
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2025-04-16T16:49:48
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-56.394943
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Cu16
Cu
A
[ "Cu" ]
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[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
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PO_3177602981598330302527635
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2025-04-16T16:29:25
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-110.745186
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Cu33
Cu
A
[ "Cu" ]
[ 1 ]
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33
1
0
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[ "Cu_iter0_T350_0_mp-30_interstitials_FCC2_db111_6" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
null
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PO_3990224053309986059868790
3990224053309986059868790280427626157172007004392981165252818903955215515207336576179552020612163672253672653108057979573231604627447072724495659581559297
2025-04-16T18:54:58
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-148.249924
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[ true, true, true ]
Cu48
Cu
A
[ "Cu" ]
[ 1 ]
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48
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T350_6_mp-1120774_elastic_B222_dist03_7_7" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
{"materials-project-id": "mp-1120774", "hash": "193070760377701705001107080539074290662545299088002219456431947370319665693130924919109129476617775689363633785947388360788009056473635193699639001226108", "id": "MD_1930707603777017050011070"}
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PO_3163765997482434648071971
3163765997482434648071971044836325515295974328720110445647756929274411979770126396552374494928052829992544545136361720143149723272984176483222983310250463
2025-04-16T18:55:55
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
32.278919
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true
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28.941001
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Cu48
Cu
A
[ "Cu" ]
[ 1 ]
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48
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T350_6_mp-1120774_elastic_B222_dist03_8_0" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
{"materials-project-id": "mp-1120774", "hash": "193070760377701705001107080539074290662545299088002219456431947370319665693130924919109129476617775689363633785947388360788009056473635193699639001226108", "id": "MD_1930707603777017050011070"}
{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
PO_3163840374177689603639843
3163840374177689603639843553492502884843899480997726405014948096740734563660875863231604064520095030142083513882603799286409288722096365161640701483493223
2025-04-16T20:26:39
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-51.622498
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null
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Cu15
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
15
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T1400_4_mp-998890_vacancies_Vac_0_2" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
null
{"materials-project-id": "mp-998890", "hash": "8629312491804937715709257690495262166080762863831693605010941118379262391462780739821831572390100276685775920525323089646130185049853284062956608765179939", "id": "MD_8629312491804937715709257"}
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PO_3786032798731098186668527
3786032798731098186668527063497388340019175244265447632901287999276386568508600890142614326961763345885952107773922788548495113609367626591917035492882478
2025-04-16T15:44:28
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-41.830379
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true
null
null
null
null
null
1.80917
0.998816
null
CO_5440077034121479946858006
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[ true, true, true ]
Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T350_4_mp-998890_elastic_B222_dist03_8_18" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
null
{"materials-project-id": "mp-998890", "hash": "8629312491804937715709257690495262166080762863831693605010941118379262391462780739821831572390100276685775920525323089646130185049853284062956608765179939", "id": "MD_8629312491804937715709257"}
{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
PO_3786065786836482188602803
3786065786836482188602803105967628956378189982611866365307658052631098384450342062862841854415807470733672239361967819484728044918789890645089436070932370
2025-04-16T15:43:54
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-54.243092
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Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T350_3_mp-1010136_elastic_B222_dist03_3_3" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
null
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{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
PO_3996591087027416163808283
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2025-04-16T18:29:13
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-61.842541
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Cu32
Cu
A
[ "Cu" ]
[ 1 ]
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32
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T1400_1_mp-989695_elastic_B222_dist03_10_1" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
null
{"materials-project-id": "mp-989695", "hash": "9528764851809222476042710287434904452974295331793514297456432869021422888186293728034605436521615403216336741915436997874183701334979798960541055078530074", "id": "MD_9528764851809222476042710"}
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PO_3985375996326235402711663
3985375996326235402711663352725448017541687022376070283591675246832247776235734798355852772497872510001368199587801025031968151308281518104194841859359978
2025-04-16T16:06:22
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-54.820595
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true
null
null
null
null
null
2.154796
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CO_1654181432215474495459958
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[ true, true, true ]
Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T1400_4_mp-998890_elastic_B222_dist03_2_10" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
null
{"materials-project-id": "mp-998890", "hash": "8629312491804937715709257690495262166080762863831693605010941118379262391462780739821831572390100276685775920525323089646130185049853284062956608765179939", "id": "MD_8629312491804937715709257"}
{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
PO_9690648971364992316047831
9690648971364992316047831770801201886894309653970653941643835012649572858141530378830735195997582076025246090684782335975187678922757787062268710518622593
2025-04-16T20:45:40
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-109.32679
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Cu32
Cu
A
[ "Cu" ]
[ 1 ]
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32
1
0
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[ "Cu_iter1_1_mp-989695_elastic_B222_dist03_8_1400_1" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7091/MD_1001864881812158934307091.json
null
{"materials-project-id": "mp-989695", "temperature": 1400, "hash": "10018648818121589343070919044496990525049041816415104835127439479605504624717308398728551986330500782301626532310527208491503520633227115180461767179631896", "id": "MD_1001864881812158934307091"}
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PO_9695660303200924728368080
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2025-04-16T21:28:46
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-153.997101
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[ true, true, true ]
Cu48
Cu
A
[ "Cu" ]
[ 1 ]
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48
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T350_6_mp-1120774_elastic_B222_dist03_2_5" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
{"materials-project-id": "mp-1120774", "hash": "193070760377701705001107080539074290662545299088002219456431947370319665693130924919109129476617775689363633785947388360788009056473635193699639001226108", "id": "MD_1930707603777017050011070"}
{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
PO_9697251526831429154703798
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2025-04-16T17:56:50
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-104.365387
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Cu32
Cu
A
[ "Cu" ]
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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PO_9700829889031823666970045
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2025-04-16T20:56:28
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-53.831318
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Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T1400_3_mp-1010136_elastic_B222_dist03_0_0" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
null
{"materials-project-id": "mp-1010136", "hash": "9023465436536084198450125260887540815347432608030255601143168665201972997876430378573817990288567142892702987114847153834845499711503008116889265087350967", "id": "MD_9023465436536084198450125"}
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PO_9701786925198635028475682
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2025-04-16T17:47:45
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-110.675941
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Cu32
Cu
A
[ "Cu" ]
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32
1
0
[ 0, 0, 0 ]
[ "Cu_iter1_0_mp-30_elastic_B222_dist03_10_1400_3" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/6635/MD_8495636077538216939536635.json
null
{"materials-project-id": "mp-30", "temperature": 1400, "hash": "8495636077538216939536635379244474204165680900104957820640201532737276966007943778867825222405747515176057416471562302984749176270215765774074301963875404", "id": "MD_8495636077538216939536635"}
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PO_9703017098572087562194939
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2025-04-16T20:35:09
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-108.014381
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Cu31
Cu
A
[ "Cu" ]
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31
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0
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[ "Cu_iter1_0_mp-30_vacancies_Vac_0_1400_6" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/6635/MD_8495636077538216939536635.json
null
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PO_9702413757308887858024813
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2025-04-16T20:14:53
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-113.608498
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Cu33
Cu
A
[ "Cu" ]
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33
1
0
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[ "Cu_iter0_T1400_0_mp-30_interstitials_FCC2_6" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
null
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PO_9705226941873072998483676
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2025-04-16T20:51:28
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-55.111851
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Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T1400_3_mp-1010136_elastic_B222_dist03_2_8" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
null
{"materials-project-id": "mp-1010136", "hash": "9023465436536084198450125260887540815347432608030255601143168665201972997876430378573817990288567142892702987114847153834845499711503008116889265087350967", "id": "MD_9023465436536084198450125"}
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PO_9717427687444948997967063
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2025-04-16T16:22:41
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-52.399532
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Cu16
Cu
A
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16
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/7679/MD_2235029950651867963297679.json
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PO_9721823236042988594880053
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2025-04-16T15:44:28
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu48
Cu
A
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
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2025-04-16T16:04:42
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
[ "Cu" ]
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
null
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PO_9723282930157533466459677
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2025-04-16T17:41:29
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
31.332144
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Cu48
Cu
A
[ "Cu" ]
[ 1 ]
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48
1
0
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[ "Cu_iter0_T1400_6_mp-1120774_elastic_B222_dist03_8_5" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
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PO_3987161998726949416571917
3987161998726949416571917952972174899546195534571479104838854464072166528653796111120714034352192817370585994131618616229363278693138958845049304138951329
2025-04-16T17:18:32
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-49.81089
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true
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6.088951
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CO_5289326168570204213207166
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[ true, true, true ]
Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T1400_4_mp-998890_elastic_B222_dist03_3_18" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
null
{"materials-project-id": "mp-998890", "hash": "8629312491804937715709257690495262166080762863831693605010941118379262391462780739821831572390100276685775920525323089646130185049853284062956608765179939", "id": "MD_8629312491804937715709257"}
{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
PO_3789553949457640547721471
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2025-04-16T19:06:05
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-83.772285
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Cu32
Cu
A
[ "Cu" ]
[ 1 ]
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32
1
0
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[ "Cu_iter3_0_mp-30_elastic_B222_dist03_5_350_0" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0342/MD_4457740524666660225640342.json
null
{"materials-project-id": "mp-30", "temperature": 350, "hash": "4457740524666660225640342330839629192576256311622761694375533923418256058007159657354259721073474972910168784282950146585048591205483032264513765211679111", "id": "MD_4457740524666660225640342"}
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PO_3998209266352698138903064
399820926635269813890306467004007351378553288630708698335936460609632304931558718635265213412510416645531269877837211926408450546726994943337478462673375
2025-04-16T16:56:11
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-48.716835
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CO_2885626501171032453090176
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[ true, true, true ]
Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T350_4_mp-998890_elastic_B222_dist03_5_5" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
null
{"materials-project-id": "mp-998890", "hash": "8629312491804937715709257690495262166080762863831693605010941118379262391462780739821831572390100276685775920525323089646130185049853284062956608765179939", "id": "MD_8629312491804937715709257"}
{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
PO_3980572097265026850212060
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2025-04-16T21:38:17
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-99.391335
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Cu32
Cu
A
[ "Cu" ]
[ 1 ]
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32
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T1400_0_mp-30_elastic_B222_dist03_3_13" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
null
{"materials-project-id": "mp-30", "hash": "7876487181888821678431936765949204563993039704321226337025456982326490818422212352824109087993382292227037837563119802330326948276325205728951171598043479", "id": "MD_7876487181888821678431936"}
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PO_3995501375745769551408884
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2025-04-17T18:37:27
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-88.527641
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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PO_3770923636834492293244217
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2025-04-16T21:22:14
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8613/MD_9303109585947760629038613.json
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PO_3774596186785752828189288
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2025-04-16T21:12:08
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-26.816841
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Cu32
Cu
A
[ "Cu" ]
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
null
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PO_3777269391688267214630046
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2025-04-16T20:38:41
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-47.263771
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Cu16
Cu
A
[ "Cu" ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
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PO_3807164496977172294575817
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2025-04-16T17:38:30
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
[ "Cu" ]
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32
1
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[ "Cu_iter0_T350_1_mp-989695_elastic_B222_dist03_2_18" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
null
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PO_3802845654291539560214392
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2025-04-16T20:03:53
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-15.037145
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Cu16
Cu
A
[ "Cu" ]
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16
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
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2025-04-16T17:19:09
DS_dc3o40aou2le_0
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DFT-PBE
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/8121/MD_1213582242930949697188121.json
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PO_9728628098241289868504845
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2025-04-16T20:41:37
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-106.982742
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Cu32
Cu
A
[ "Cu" ]
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
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PO_9727115439258539648696478
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2025-04-16T17:45:49
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
[ "Cu" ]
[ 1 ]
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32
1
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[ "Cu_iter0_T350_0_mp-30_elastic_B222_dist03_9_13" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
null
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PO_9729010921708206077099912
9729010921708206077099912909191412782210240494222574468529290290190444186877091232213547635744278373242420631485040964566311991164034660043054534535849307
2025-04-16T21:13:40
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-119.038063
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Cu33
Cu
A
[ "Cu" ]
[ 1 ]
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33
1
0
[ 0, 0, 0 ]
[ "Cu_iter3_0_mp-30_interstitials_FCC2_interTd_350_6" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0342/MD_4457740524666660225640342.json
null
{"materials-project-id": "mp-30", "temperature": 350, "hash": "4457740524666660225640342330839629192576256311622761694375533923418256058007159657354259721073474972910168784282950146585048591205483032264513765211679111", "id": "MD_4457740524666660225640342"}
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PO_9755131191166764454484368
9755131191166764454484368280190170364714119425577316764287254036707916116642886534784923702310513965809936663246277282717109419412985611022753120977176796
2025-04-16T20:16:51
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-38.290981
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true
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[ true, true, true ]
Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
[ 0, 0, 0 ]
[ "Cu_iter1_3_mp-1010136_elastic_B222_dist03_5_1400_3" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/5331/MD_7387864771096776423525331.json
null
{"materials-project-id": "mp-1010136", "temperature": 1400, "hash": "7387864771096776423525331969947173836370531439356705138547611955035833291778089119326798841006726160282031549599042637935840019616218618576748291532537088", "id": "MD_7387864771096776423525331"}
{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
PO_9733479351545215784601988
9733479351545215784601988759796406324117395802868625961381092808073596937646437283775731580319483407222801572369766965390715953508796154775210236637811641
2025-04-16T16:29:32
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-55.218948
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Cu16
Cu
A
[ "Cu" ]
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16
1
0
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[ "Cu_iter0_T1400_4_mp-998890_elastic_B222_dist03_2_3" ]
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
null
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PO_9735318713143026311042729
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2025-04-16T19:57:50
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu33
Cu
A
[ "Cu" ]
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33
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0342/MD_4457740524666660225640342.json
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PO_9736393159721527815959907
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2025-04-16T21:09:01
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
[ "Cu" ]
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
null
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PO_9740885208971110590240957
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2025-04-17T18:06:06
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu31
Cu
A
[ "Cu" ]
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31
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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PO_9741829242430500579726349
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2025-04-16T17:26:47
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-73.600273
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8613/MD_9303109585947760629038613.json
null
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PO_3772315209325867122675125
3772315209325867122675125010294036422909136913460480032958388482230004917788990505213101164960034592220154510395685166452042103644518757930073605162227185
2025-04-16T20:21:52
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-48.66803
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Cu16
Cu
A
[ "Cu" ]
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[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
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PO_3812958198505540805421949
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2025-04-16T16:55:35
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu16
Cu
A
[ "Cu" ]
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16
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
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PO_9757428517270787494527548
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2025-04-16T21:27:46
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
[ "Cu" ]
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32
1
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/6635/MD_8495636077538216939536635.json
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PO_9756061177079878540417827
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2025-04-16T19:57:30
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
[ 0, 0, 0 ]
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
null
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PO_9760462580096755939222804
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2025-04-16T16:49:26
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu16
Cu
A
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16
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/7679/MD_2235029950651867963297679.json
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2025-04-16T15:44:13
DS_dc3o40aou2le_0
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Cu31
Cu
A
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31
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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PO_9783616517410258001183321
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2025-04-16T17:23:23
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu48
Cu
A
[ "Cu" ]
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48
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
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PO_9782347831817359945966620
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2025-04-16T16:24:37
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-71.678383
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Cu32
Cu
A
[ "Cu" ]
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32
1
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[ "Cu_iter0_T350_0_mp-30_elastic_B222_dist03_9_10" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
null
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PO_9786332389363507358958171
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2025-04-16T15:44:40
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-113.534752
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Cu33
Cu
A
[ "Cu" ]
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33
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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2025-04-16T21:43:16
DS_dc3o40aou2le_0
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VASP
DFT-PBE
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/7091/MD_1001864881812158934307091.json
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PO_3825929446898183263433705
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2025-04-16T21:30:02
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-36.590462
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Cu16
Cu
A
[ "Cu" ]
[ 1 ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/5331/MD_7387864771096776423525331.json
null
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PO_3825690712429104237368790
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2025-04-16T17:54:59
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu16
Cu
A
[ "Cu" ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
null
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PO_3815388412672735390391962
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2025-04-16T17:18:55
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu16
Cu
A
[ "Cu" ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7679/MD_2235029950651867963297679.json
null
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2025-04-16T21:30:02
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-105.586174
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Cu32
Cu
A
[ "Cu" ]
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32
1
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[ "Cu_iter0_T350_0_mp-30_elastic_B222_dist03_3_16" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
null
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PO_9777184083356148270641455
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2025-04-16T16:10:07
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-73.793846
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Cu32
Cu
A
[ "Cu" ]
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32
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[ "Cu_iter0_T350_1_mp-989695_elastic_B222_dist03_10_14" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
null
{"materials-project-id": "mp-989695", "hash": "9528764851809222476042710287434904452974295331793514297456432869021422888186293728034605436521615403216336741915436997874183701334979798960541055078530074", "id": "MD_9528764851809222476042710"}
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PO_9778153987871017172436886
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2025-04-17T17:45:49
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-103.736916
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Cu32
Cu
A
[ "Cu" ]
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
null
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PO_3854473226093014602662910
3854473226093014602662910779720930355313112717189141877329568195682952871343319195442034465503362270003790081224194260071913599273243488301142112194611486
2025-04-16T20:25:42
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-53.65097
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Cu16
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
16
1
0
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[ "Cu_iter0_T1400_3_mp-1010136_elastic_B222_dist03_4_10" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
null
{"materials-project-id": "mp-1010136", "hash": "9023465436536084198450125260887540815347432608030255601143168665201972997876430378573817990288567142892702987114847153834845499711503008116889265087350967", "id": "MD_9023465436536084198450125"}
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PO_3818872204623128431993216
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2025-04-16T18:25:21
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-95.532204
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Cu32
Cu
A
[ "Cu" ]
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32
1
0
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[ "Cu_iter0_T350_0_mp-30_elastic_B222_dist03_4_0" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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{"materials-project-id": "mp-30", "hash": "7876487181888821678431936765949204563993039704321226337025456982326490818422212352824109087993382292227037837563119802330326948276325205728951171598043479", "id": "MD_7876487181888821678431936"}
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PO_3831903047436614124373030
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2025-04-16T18:25:21
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-103.64978
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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PO_3816270920397721686535275
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2025-04-16T18:49:22
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
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2025-04-16T21:30:02
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu48
Cu
A
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48
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/0007/MD_4187850849357219619680007.json
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PO_3834687972266535549891638
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2025-04-16T17:25:54
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu48
Cu
A
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48
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
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PO_3821525646917601523843649
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2025-04-16T22:04:30
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu48
Cu
A
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48
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
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PO_9807479950055843475915658
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2025-04-16T22:04:30
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-134.826447
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Cu48
Cu
A
[ "Cu" ]
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48
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
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PO_3852139549757849175925465
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2025-04-16T18:09:08
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
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2025-04-16T21:37:17
DS_dc3o40aou2le_0
1
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Cu32
Cu
A
[ "Cu" ]
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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PO_3852181961629199179992314
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2025-04-16T21:52:07
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-106.254532
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
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PO_3843614800566984952066165
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2025-04-16T17:39:34
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu16
Cu
A
[ "Cu" ]
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16
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
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PO_3855446340984951800204396
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2025-04-16T16:56:51
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-57.944469
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Cu16
Cu
A
[ "Cu" ]
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16
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0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
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PO_3866705789470214502409903
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2025-04-16T17:59:53
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-37.279789
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Cu16
Cu
A
[ "Cu" ]
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16
1
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
null
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PO_9804182111266017281030217
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2025-04-16T22:04:30
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
[ "Cu" ]
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
null
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PO_9809765153950588494916903
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2025-04-16T20:36:09
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-36.211353
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Cu16
Cu
A
[ "Cu" ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7679/MD_2235029950651867963297679.json
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PO_9792603643842767156733069
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2025-04-17T18:16:17
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-53.232685
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Cu16
Cu
A
[ "Cu" ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
null
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PO_9793454533355200363992814
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2025-04-16T21:51:00
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-54.629948
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CO_1211157063849025800183949
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Cu16
Cu
A
[ "Cu" ]
[ 1 ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/0125/MD_9023465436536084198450125.json
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PO_9814509033759694178716653
9814509033759694178716653711681657892169274955514357320549066950080348336075374609968369944487854254186963143382115914397236475965341648771215040473503688
2025-04-16T17:19:33
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-118.430779
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Cu33
Cu
A
[ "Cu" ]
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33
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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PO_9814336422673490076935381
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2025-04-16T20:40:01
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-46.754623
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Cu16
Cu
A
[ "Cu" ]
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16
1
0
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[ "Cu_iter0_T350_4_mp-998890_elastic_B222_dist03_9_11" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/9257/MD_8629312491804937715709257.json
null
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PO_9820277972172779833367313
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2025-04-16T21:29:37
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-155.410248
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Cu48
Cu
A
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48
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
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2025-04-16T17:41:26
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/1936/MD_7876487181888821678431936.json
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PO_3880403607038249162559078
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2025-04-16T21:57:13
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-51.027821
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Cu32
Cu
A
[ "Cu" ]
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/2710/MD_9528764851809222476042710.json
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2025-04-16T20:50:01
DS_dc3o40aou2le_0
1
VASP
DFT-PBE
-155.573471
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[ true, true, true ]
Cu48
Cu
A
[ "Cu" ]
[ 1 ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
48
1
0
[ 0, 0, 0 ]
[ "Cu_iter0_T350_6_mp-1120774_elastic_B222_dist03_5_18" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/1070/MD_1930707603777017050011070.json
null
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