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DS_8y775we7um7w_0
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T18:46:47
DS_8y775we7um7w_0
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
[ 1 ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_9" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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_1003256649333689311822157
10032566493336893118221577106422424057988589830684961607578750161237233395368189781238675714730530535532495274112448507437828051110962858135361262205709520
2025-04-16T21:51:46
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-202.705368
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true
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
[ 1 ]
[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13 ]
64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T240_8_mp-1239196_elastic_4" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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_1000655646523296039238224
1000655646523296039238224819435815588512170896347840038987074059058112770110546847268743982392850402852325204118593579834120376923801969545815389729497412
2025-04-16T21:13:01
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-117.35363
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Al64
Al
A
[ "Al" ]
[ 1 ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T240_8_mp-1239196_elastic_13" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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"}
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2025-04-16T21:14:40
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-162.121964
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Al64
Al
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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PO_4938508777466384541183511
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2025-04-16T20:44:25
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al16
Al
A
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16
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data/MD/8121/MD_1213582242930949697188121.json
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PO_4927378517574924631105320
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2025-04-16T19:49:39
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al16
Al
A
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16
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/5909/MD_1092689733835166895275909.json
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PO_4906937587231235126349297
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2025-04-16T18:52:56
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-216.562607
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter1_8_mp-1239196_elastic_B222_dist03_6_3" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
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PO_4906698989519265257397696
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2025-04-16T21:13:40
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-88.344612
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Al32
Al
A
[ "Al" ]
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32
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T960_0_mp-134_elastic_15" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
{"materials-project-id": "mp-134", "hash": "930011929653973582180846073299680827437022025687644079123128187039650194767557092970609420019523229875568620757991932789349995522096392043901851193061019", "id": "MD_9300119296539735821808460"}
{"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_4912906005609753450505921
4912906005609753450505921958059389818050783242654288199018560135536519148459079710310397693468109299673729976583873547352003655628818790400070829509706632
2025-04-16T18:43:09
DS_8y775we7um7w_0
1
VASP
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Al32
Al
A
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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PO_4935873625960674026659452
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2025-04-16T20:41:25
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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64
1
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[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_8" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T18:55:55
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al32
Al
A
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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2025-04-16T21:44:51
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al32
Al
A
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
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PO_1004026769587065165926239
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2025-04-16T15:18:28
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-64.962204
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A
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32
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[ "Al_iter_all_Al_iter0_T960_1_mp-1183144_elastic_10", "Al_iter_all_Al_iter0_T960_1_mp-1183144_elastic_11" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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PO_1005119903514109542017242
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2025-04-16T17:35:02
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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[ "Al_iter_all_Al_iter1_8_mp-1239196_elastic_B222_dist03_4_4" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
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PO_1005316693416879892278664
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2025-04-16T22:04:30
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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2025-04-16T18:52:13
DS_8y775we7um7w_0
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Al64
Al
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64
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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PO_1006203235816540113691160
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2025-04-16T20:56:38
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al16
Al
A
[ "Al" ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
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null
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PO_1006559307778286031917628
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2025-04-16T21:29:37
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al32
Al
A
[ "Al" ]
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32
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[ "Al_iter_all_Al_iter0_T240_1_mp-1183144_elastic_5" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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PO_4947332662847435746372932
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2025-04-16T18:32:22
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al33
Al
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data/MD/8460/MD_9300119296539735821808460.json
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2025-04-16T17:56:02
DS_8y775we7um7w_0
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Al16
Al
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2025-04-16T17:14:02
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T22:03:29
DS_8y775we7um7w_0
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
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2025-04-16T16:52:26
DS_8y775we7um7w_0
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data/MD/8121/MD_1213582242930949697188121.json
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2025-04-16T15:40:09
DS_8y775we7um7w_0
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Al32
Al
A
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data/MD/8460/MD_9300119296539735821808460.json
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PO_1007593105687437909617851
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2025-04-16T21:13:01
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-81.731766
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Al32
Al
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PO_1007616778990417877558258
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2025-04-16T21:21:56
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al64
Al
A
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64
1
0
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[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_14" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
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PO_1007616576486553852926415
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2025-04-17T17:45:49
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-111.5942
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Al32
Al
A
[ "Al" ]
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32
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[ "Al_iter_all_Al_iter0_T240_1_mp-1183144_elastic_4" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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PO_1007865999658839682207539
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2025-04-16T17:31:20
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al32
Al
A
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[ "Al_iter_all_Al_iter0_T960_1_mp-1183144_elastic_15", "Al_iter_all_Al_iter0_T960_1_mp-1183144_elastic_17" ]
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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PO_1008063085272536808849026
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2025-04-16T21:38:17
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-86.706688
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Al32
Al
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.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_1007954599449433231802722
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2025-04-16T21:29:37
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-136.288513
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Al64
Al
A
[ "Al" ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_5" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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_1008422919293268983572313
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2025-04-16T16:32:15
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-110.462387
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Al32
Al
A
[ "Al" ]
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32
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T960_1_mp-1183144_elastic_1" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
{"materials-project-id": "mp-1183144", "hash": "8167787933279587874418320951248853394529876322379631497014846963005580728043288190655402346311637680323071163455556661885593388103969124639969091566467938", "id": "MD_8167787933279587874418320"}
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PO_1009020876324494782455673
10090208763244947824556732553372488064082734764703687669042867301215901882264110525566761194742251544197231250315106719641865358870751796486458206081110059
2025-04-16T21:30:02
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-38.08215
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[ true, true, true ]
Al32
Al
A
[ "Al" ]
[ 1 ]
[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13 ]
32
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T240_1_mp-1183144_elastic_0" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
{"materials-project-id": "mp-1183144", "hash": "8167787933279587874418320951248853394529876322379631497014846963005580728043288190655402346311637680323071163455556661885593388103969124639969091566467938", "id": "MD_8167787933279587874418320"}
{"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_1006582289673503218160513
10065822896735032181605136071723608314635353217819648117277799778400924432543863778588605544731435275721642342445285173503321400225694436995823503080240777
2025-04-16T16:56:41
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-213.267456
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
[ 1 ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_2" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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_1007107412148105090790863
10071074121481050907908634962888086255608718681456801899383202413424324648290037310532244041255246708556212340025811642821024241401573691121146764926420701
2025-04-16T21:52:07
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-111.805984
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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2025-04-16T20:29:44
DS_8y775we7um7w_0
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Al33
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
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2025-04-16T16:08:56
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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2025-04-16T21:22:14
DS_8y775we7um7w_0
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2025-04-16T17:49:49
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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PO_4992948601467508394271533
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2025-04-16T20:35:09
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al32
Al
A
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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2025-04-16T21:43:25
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-89.905113
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Al32
Al
A
[ "Al" ]
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
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PO_4973072467146285207592465
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2025-04-16T16:10:12
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al64
Al
A
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data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T18:04:10
DS_8y775we7um7w_0
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VASP
DFT-PBE
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Al16
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2025-04-16T18:49:01
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al7
Al
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7
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null
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DS_8y775we7um7w_0
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2025-04-16T15:44:44
DS_8y775we7um7w_0
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2025-04-16T16:45:11
DS_8y775we7um7w_0
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Al32
Al
A
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32
1
0
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[ "Al_iter_all_Al_iter0_T960_0_mp-134_elastic_4" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
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PO_1012124679190619516500052
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2025-04-16T16:52:33
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-202.348999
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Al64
Al
A
[ "Al" ]
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64
1
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[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_16" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
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PO_1011282014174360677482430
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2025-04-16T17:26:50
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-92.343979
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PO_1012372457633630535416883
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2025-04-16T17:45:08
DS_8y775we7um7w_0
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Al16
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2025-04-16T20:38:45
DS_8y775we7um7w_0
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32
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PO_4450906120547299242498732
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2025-04-16T21:09:01
DS_8y775we7um7w_0
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Al
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
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2025-04-16T21:29:37
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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64
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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PO_4451040691818464540630341
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2025-04-16T17:31:20
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-141.93515
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Al64
Al
A
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64
1
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[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_9" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
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2025-04-16T18:41:25
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-119.31855
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Al33
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[ "Al_iter_all_Al_iter0_T240_0_mp-134_interstitials_FCC2_17" ]
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2025-04-16T21:51:00
DS_8y775we7um7w_0
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2025-04-16T21:28:46
DS_8y775we7um7w_0
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2025-04-16T16:49:41
DS_8y775we7um7w_0
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data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T20:24:25
DS_8y775we7um7w_0
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VASP
DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
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2025-04-16T22:03:29
DS_8y775we7um7w_0
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data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T15:43:19
DS_8y775we7um7w_0
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data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T17:38:31
DS_8y775we7um7w_0
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VASP
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Al64
Al
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64
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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PO_4485742589380094153026679
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2025-04-16T21:52:07
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-54.911449
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Al16
Al
A
[ "Al" ]
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16
1
0
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null
data/MD/8121/MD_1213582242930949697188121.json
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PO_4482592599859809144095888
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2025-04-16T21:21:56
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al32
Al
A
[ "Al" ]
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32
1
0
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[ "Al_iter_all_Al_iter0_T960_1_mp-1183144_elastic_8" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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PO_4494648069884728013395676
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2025-04-16T21:14:40
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al64
Al
A
[ "Al" ]
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64
1
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[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_3" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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"}
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2025-04-16T20:26:29
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-214.001724
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
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64
1
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[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_7" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
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PO_1052569425838724688898360
10525694258387246888983609346377876586455370825750549695644026138578891377144316257420933344570520386950087368764472373577379397773740262590400112180342016
2025-04-16T15:43:44
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-214.329788
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter1_8_mp-1239196_elastic_B222_dist03_9_3" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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_1051224576495508824116315
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2025-04-16T15:41:29
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-106.528496
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Al32
Al
A
[ "Al" ]
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32
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null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
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PO_1015722607371786421557360
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2025-04-16T18:57:59
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-107.749725
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Al32
Al
A
[ "Al" ]
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32
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[ "Al_iter_all_Al_iter0_T960_1_mp-1183144_elastic_10" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
{"materials-project-id": "mp-1183144", "hash": "8167787933279587874418320951248853394529876322379631497014846963005580728043288190655402346311637680323071163455556661885593388103969124639969091566467938", "id": "MD_8167787933279587874418320"}
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PO_1015600926189225404546286
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2025-04-16T17:08:55
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T21:51:00
DS_8y775we7um7w_0
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DFT-PBE
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2025-04-17T18:48:22
DS_8y775we7um7w_0
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data/MD/5909/MD_1092689733835166895275909.json
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PO_1052913181582984190590229
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2025-04-16T21:12:08
DS_8y775we7um7w_0
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Al16
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2025-04-16T21:51:00
DS_8y775we7um7w_0
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Al32
Al
A
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32
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
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PO_4525237025400571462296809
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2025-04-16T17:54:28
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_9" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
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PO_4531727373055429498221096
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2025-04-16T17:10:24
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-118.276245
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[ true, true, true ]
Al33
Al
A
[ "Al" ]
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33
1
0
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[ "Al_iter_all_Al_iter0_T240_0_mp-134_interstitials_FCC2_0" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
{"materials-project-id": "mp-134", "hash": "930011929653973582180846073299680827437022025687644079123128187039650194767557092970609420019523229875568620757991932789349995522096392043901851193061019", "id": "MD_9300119296539735821808460"}
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PO_4535700768220300015558410
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2025-04-16T16:03:23
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-88.830299
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Al32
Al
A
[ "Al" ]
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32
1
0
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[ "Al_iter_all_Al_iter1_1_mp-1183144_elastic_B222_dist03_5_5" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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PO_4539839996689008025791676
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2025-04-16T18:07:55
DS_8y775we7um7w_0
1
VASP
DFT-PBE
33.394154
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Al32
Al
A
[ "Al" ]
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32
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[ "Al_iter_all_Al_iter0_T240_0_mp-134_elastic_18" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
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{"materials-project-id": "mp-134", "hash": "930011929653973582180846073299680827437022025687644079123128187039650194767557092970609420019523229875568620757991932789349995522096392043901851193061019", "id": "MD_9300119296539735821808460"}
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PO_4532782052840096879365407
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2025-04-16T15:09:29
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-137.467026
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Al64
Al
A
[ "Al" ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T240_8_mp-1239196_elastic_4" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
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PO_4544675568461996742825757
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2025-04-16T16:25:26
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-95.77845
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Al32
Al
A
[ "Al" ]
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32
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T960_0_mp-134_elastic_17" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
{"materials-project-id": "mp-134", "hash": "930011929653973582180846073299680827437022025687644079123128187039650194767557092970609420019523229875568620757991932789349995522096392043901851193061019", "id": "MD_9300119296539735821808460"}
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PO_1055790050961042383942116
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2025-04-16T15:44:09
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-112.543861
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[ true, true, true ]
Al33
Al
A
[ "Al" ]
[ 1 ]
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33
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter1_0_mp-134_interstitials_FCC2_crowdion_3" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
{"materials-project-id": "mp-134", "hash": "930011929653973582180846073299680827437022025687644079123128187039650194767557092970609420019523229875568620757991932789349995522096392043901851193061019", "id": "MD_9300119296539735821808460"}
{"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_1053020690661108542841424
10530206906611085428414240930956984087763484720554091676843997270414808265373705578628835366438564685084090285388737551106732358231429047032862012043244430
2025-04-16T20:26:41
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-96.130409
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_7" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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_1016265781725729370776660
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2025-04-16T16:28:54
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-112.241135
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Al31
Al
A
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31
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[ "Al_iter_all_Al_iter0_T960_0_mp-134_vacancies_Vac_0_7" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
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2025-04-16T21:22:14
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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Al32
Al
A
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32
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data/MD/8320/MD_8167787933279587874418320.json
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PO_1054206335572413728000536
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2025-04-16T18:14:38
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-115.311485
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Al32
Al
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data/MD/8460/MD_9300119296539735821808460.json
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2025-04-16T15:44:18
DS_8y775we7um7w_0
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Al16
Al
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PO_4583881351877906557924330
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2025-04-16T21:13:40
DS_8y775we7um7w_0
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Al64
Al
A
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T21:43:25
DS_8y775we7um7w_0
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data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
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PO_4569460016820089575192522
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2025-04-16T16:45:11
DS_8y775we7um7w_0
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VASP
DFT-PBE
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
[ 1 ]
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64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T960_8_mp-1239196_elastic_16" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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_4557173095446462064457665
4557173095446462064457665042891043551121428594093355570915791840755894928283248630353044722723670129366254869172035373666461891143501910529109464432849015
2025-04-16T20:10:51
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-73.048721
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true
null
null
null
null
null
19.161735
5.02544
null
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[ true, true, true ]
Al64
Al
A
[ "Al" ]
[ 1 ]
[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13 ]
64
1
0
[ 0, 0, 0 ]
[ "Al_iter_all_Al_iter0_T240_8_mp-1239196_elastic_7" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
{"materials-project-id": "mp-1239196", "hash": "8342077683094605614607324857260170669140498379261154861648293746153348359965509525658547092727097566869581532283708695391511341702084057581224555682625117", "id": "MD_8342077683094605614607324"}
{"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_4568618872405873954227675
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2025-04-16T17:29:32
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-215.709
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Al64
Al
A
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64
1
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[ "Al_iter_all_Al_iter1_8_mp-1239196_elastic_B222_dist03_7_0" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
null
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2025-04-16T16:04:42
DS_8y775we7um7w_0
1
VASP
DFT-PBE
-108.689621
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Al32
Al
A
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32
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[ "Al_iter_all_Al_iter1_0_mp-134_elastic_B222_dist03_2_2" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
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PO_4578169290213596177504846
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2025-04-17T18:26:41
DS_8y775we7um7w_0
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7
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PO_4580204530298761999245313
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2025-04-16T18:04:13
DS_8y775we7um7w_0
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Al15
Al
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2025-04-16T17:41:23
DS_8y775we7um7w_0
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Al16
Al
A
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2025-04-16T18:47:34
DS_8y775we7um7w_0
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Al32
Al
A
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[ "Al_iter_all_Al_iter0_T240_1_mp-1183144_elastic_1", "Al_iter_all_Al_iter0_T240_1_mp-1183144_elastic_13" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8320/MD_8167787933279587874418320.json
null
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PO_1056992070253264604157130
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2025-04-16T16:50:24
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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[ "Al_iter_all_Al_iter0_T240_8_mp-1239196_elastic_2" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/7324/MD_8342077683094605614607324.json
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2025-04-16T15:45:59
DS_8y775we7um7w_0
1
VASP
DFT-PBE
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[ "Al_iter_all_Al_iter1_0_mp-134_elastic_B222_dist03_1_4" ]
null
data/MD/8121/MD_1213582242930949697188121.json
data/MD/8460/MD_9300119296539735821808460.json
null
{"materials-project-id": "mp-134", "hash": "930011929653973582180846073299680827437022025687644079123128187039650194767557092970609420019523229875568620757991932789349995522096392043901851193061019", "id": "MD_9300119296539735821808460"}
{"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"}