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2025-04-16T22:03:29
DS_t0ec1irmeo59_0
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VASP
DFT-PBE-D3
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Ag3Au13
Ag3Au13
A13B3
[ "Ag", "Au" ]
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2025-04-16T18:59:47
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
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Ag12Au4
Ag3Au
A3B
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PO_4918979569136982680878477
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2025-04-16T20:58:52
DS_t0ec1irmeo59_0
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Au32
Au
A
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2025-04-16T20:58:52
DS_t0ec1irmeo59_0
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[ true, true, true ]
Ag21Au11
Ag21Au11
A21B11
[ "Ag", "Au" ]
[ 0.65625, 0.34375 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
32
2
0
[ 0, 0, 0 ]
[ "data.728_set.000_3" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4918523073574597583571493
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2025-04-16T21:27:46
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-60.04942
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true
null
null
null
null
null
0.390172
0.22503
null
CO_1313412266261990354813887
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[ true, true, true ]
Ag2Au14
AgAu7
A7B
[ "Ag", "Au" ]
[ 0.125, 0.875 ]
[ 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_267" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4918993049173485800695881
4918993049173485800695881380890870799448185110516859308244229017979254093970443749186446802856787558820381649804513376155702662148739026281992706180328881
2025-04-16T18:14:38
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-37.969161
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true
null
null
null
null
null
1.398319
0.615586
null
CO_5550539446035489966763463
5550539446035489966763463009321002338174034352309191460306032117289473872396888866322126590843678388882034585666930391098135626817305530437114809828270286
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[ true, true, true ]
AgAu15
AgAu15
A15B
[ "Ag", "Au" ]
[ 0.0625, 0.9375 ]
[ 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_109" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4923260905417532891663464
4923260905417532891663464432006179469256733237453730359969045200954235312099459308002451806327474626463876124691498689967544528289679294445051671329528611
2025-04-16T21:12:08
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-42.375218
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true
null
null
null
null
null
0.152115
0.090672
null
CO_1241811050618533430632110
12418110506185334306321108225555687037497241109473897825110697358330369096461385430250697099655178689670399941986472041750072532309385007261806231883522821
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[ true, true, true ]
Ag11Au5
Ag11Au5
A11B5
[ "Ag", "Au" ]
[ 0.6875, 0.3125 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_218" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4923514999120815338364731
4923514999120815338364731745814677623727636392331779470047620081905677309432239506230464482922092742740723148240057649266678835590539137774715520367792337
2025-04-16T17:32:52
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-52.207169
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true
null
null
null
null
null
7.104318
3.93644
null
CO_1074777738838652068939286
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[ true, true, true ]
Ag4Au12
AgAu3
A3B
[ "Ag", "Au" ]
[ 0.25, 0.75 ]
[ 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
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data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4923818823344484897735835
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2025-04-16T20:11:54
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-75.226436
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[ true, true, true ]
Ag31Au
Ag31Au
A31B
[ "Ag", "Au" ]
[ 0.96875, 0.03125 ]
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32
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null
data/MD/4240/MD_9985399391223336507104240.json
null
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PO_4923357025695935540547089
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2025-04-17T18:16:17
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-10.118987
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[ true, true, true ]
Ag6Au10
Ag3Au5
A5B3
[ "Ag", "Au" ]
[ 0.375, 0.625 ]
[ 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
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0
[ 0, 0, 0 ]
[ "deepmd_set.000_27" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4923447157666721529618547
4923447157666721529618547709038464092979143048819353504577820226282048581507350096027154383413599317106663780929111176634946001070011993355731443891497178
2025-04-17T17:45:49
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-168.414443
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[ true, true, true ]
Ag7Au41
Ag7Au41
A41B7
[ "Ag", "Au" ]
[ 0.14583333333333334, 0.8541666666666666 ]
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48
2
0
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[ "data.762_set.000_12" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4923734485727932153961634
4923734485727932153961634181749174573891080021477924250097705058431542740914254316969242410075507668367885656091780427054199789119038097919028560470966422
2025-04-16T20:53:47
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-65.371265
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[ true, true, true ]
Ag32
Ag
A
[ "Ag" ]
[ 1 ]
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32
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_142" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4922717809613893002441686
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2025-04-16T16:46:28
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-37.298382
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true
null
null
null
null
null
1.428755
0.723656
null
CO_8367528092508113265583704
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[ true, true, true ]
Ag3Au13
Ag3Au13
A13B3
[ "Ag", "Au" ]
[ 0.1875, 0.8125 ]
[ 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_172" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4922674943495275768841026
492267494349527576884102665136514704865367182150290615018078392643991146731105142712121980654430235674570402248213371929043683951800753751820449385643482
2025-04-16T16:31:52
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-40.381338
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true
null
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null
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null
CO_4149070450684415180582739
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[ true, true, true ]
Ag7Au9
Ag7Au9
A9B7
[ "Ag", "Au" ]
[ 0.4375, 0.5625 ]
[ 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_315" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4922407878837296952262269
4922407878837296952262269552437059319270080066609305382683856370771225980416564125880169884702690707573775012035137810088696042068436687675831408213040326
2025-04-16T19:57:31
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-57.41349
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true
null
null
null
null
null
0.082109
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CO_2673432507956300159895007
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[ true, true, true ]
AgAu15
AgAu15
A15B
[ "Ag", "Au" ]
[ 0.0625, 0.9375 ]
[ 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
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PO_4922307312487993541623535
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2025-04-16T21:37:17
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
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Ag11Au5
Ag11Au5
A11B5
[ "Ag", "Au" ]
[ 0.6875, 0.3125 ]
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16
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data/MD/4240/MD_9985399391223336507104240.json
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PO_4922073631977813189719677
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2025-04-16T15:44:05
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-123.303312
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[ true, true, true ]
AgAu31
AgAu31
A31B
[ "Ag", "Au" ]
[ 0.03125, 0.96875 ]
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32
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null
data/MD/4240/MD_9985399391223336507104240.json
null
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PO_4922306919210194642829042
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2025-04-16T21:29:37
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-55.152059
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[ true, true, true ]
Ag6Au10
Ag3Au5
A5B3
[ "Ag", "Au" ]
[ 0.375, 0.625 ]
[ 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4924593669586915174251776
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2025-04-16T15:43:54
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-122.089998
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[ true, true, true ]
Au32
Au
A
[ "Au" ]
[ 1 ]
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32
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_132" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4924909212264633986854655
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2025-04-16T17:09:42
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-103.89491
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null
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null
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[ true, true, true ]
Ag5Au27
Ag5Au27
A27B5
[ "Ag", "Au" ]
[ 0.15625, 0.84375 ]
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32
2
0
[ 0, 0, 0 ]
[ "data.696_set.000_11" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4924139498081836401296700
4924139498081836401296700034434143646170780654864950667733093481567631813319750480408560759510200098246473139019271385274807376213125529137011543025120178
2025-04-16T21:28:46
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
2.07568
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true
null
null
null
null
null
1.264943
0.875525
null
CO_6295003454100796586223132
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[ true, true, true ]
Ag3Au13
Ag3Au13
A13B3
[ "Ag", "Au" ]
[ 0.1875, 0.8125 ]
[ 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_81" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4924469860811387055027763
4924469860811387055027763960048594276770772802907243922758335525425536275994235931792226919210421388420196450788080715979878665447109498227254949815682145
2025-04-16T21:56:50
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-42.939123
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true
null
null
null
null
null
0.01307
0.008155
null
CO_1331311734820324192073809
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[ true, true, true ]
Ag16
Ag
A
[ "Ag" ]
[ 1 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
16
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_378" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4924053687745614758703262
4924053687745614758703262276536825213604016475229791545181461086572380860528187104934964566007696701890782770551705991061621972246344153951122159062242348
2025-04-16T18:04:40
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-101.773517
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[ true, true, true ]
Ag9Au23
Ag9Au23
A23B9
[ "Ag", "Au" ]
[ 0.28125, 0.71875 ]
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32
2
0
[ 0, 0, 0 ]
[ "data.066_set.000_3" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4924196850783368803507989
4924196850783368803507989032114092373768769861744270687845509885861839823329601885957583991154135971958815905933435187849445015021255557845275983154307445
2025-04-16T18:14:52
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-41.667022
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true
null
null
null
null
null
0.061597
0.027828
null
CO_1102082117867626640790712
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[ true, true, true ]
Ag15Au
Ag15Au
A15B
[ "Ag", "Au" ]
[ 0.9375, 0.0625 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_210" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4924698005663616483248308
4924698005663616483248308867361013488264654084355393100131547923576491259623061644044382495287102804412677457537490883450857801144149941661338160608801111
2025-04-16T17:47:45
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-64.185767
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true
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[ true, true, true ]
Ag32
Ag
A
[ "Ag" ]
[ 1 ]
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32
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_284" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4924696109951105011444850
4924696109951105011444850949591226400243167639938993497301085854569613188767088851556686737127149752771997254430801019060221153733533182788124268434495444
2025-04-16T20:25:42
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-100.961344
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[ true, true, true ]
Ag28Au4
Ag7Au
A7B
[ "Ag", "Au" ]
[ 0.875, 0.125 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79 ]
32
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_112" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4924494896755530278702385
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2025-04-16T17:31:20
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-32.105036
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true
null
null
null
null
null
0.168114
0.098325
null
CO_6570201717793620748938004
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[ true, true, true ]
Ag4Au12
AgAu3
A3B
[ "Ag", "Au" ]
[ 0.25, 0.75 ]
[ 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_91" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4924142434809912790918116
4924142434809912790918116672388516574742540654684327997241463804605337367624897520981213780736811003218298949902143218058421550171956990804920240823114434
2025-04-16T21:09:01
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-37.256279
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true
null
null
null
null
null
0.133928
0.061045
null
CO_1308942446618530568421830
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[ true, true, true ]
Ag5Au11
Ag5Au11
A11B5
[ "Ag", "Au" ]
[ 0.3125, 0.6875 ]
[ 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_42" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4921707961577279919711950
4921707961577279919711950033579845056710599594092743234449546461865159021703832589583454131324507181273845809931042110902495826084837273645517539912476487
2025-04-16T18:55:55
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-29.029656
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true
null
null
null
null
null
6.373993
3.155609
null
CO_7937978129371815723431835
7937978129371815723431835211932194523156633964560558563760210211795262513609169369340094636944655353975565243653661514904829029275256095275343727896233666
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[ true, true, true ]
Ag12
Ag
A
[ "Ag" ]
[ 1 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
12
1
0
[ 0, 0, 0 ]
[ "data.026_set.000_40" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4921864714431464937611345
4921864714431464937611345127471928552263869286578154777968395340319180068391996566362490316027910416415834056860638711255723286778822537943273546843428116
2025-04-16T17:52:39
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-90.800761
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[ true, true, true ]
Ag21Au11
Ag21Au11
A21B11
[ "Ag", "Au" ]
[ 0.65625, 0.34375 ]
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32
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[ "data.621_set.000_9" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4921753074258416967758277
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2025-04-16T18:33:21
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-75.693501
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true
null
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1.291961
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CO_4445705758144681096883470
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[ true, true, true ]
Ag22Au2
Ag11Au
A11B
[ "Ag", "Au" ]
[ 0.9166666666666666, 0.08333333333333333 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79 ]
24
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0
[ 0, 0, 0 ]
[ "data.685_set.000_4" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4925885283041151077770860
4925885283041151077770860769784490749077098803931337660151065454261920284128995708713120957007981002935614211197946099326022639939238950846285008964060551
2025-04-16T20:13:01
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-30.441362
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true
null
null
null
null
null
0.11402
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null
CO_8443731491376851814717438
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[ true, true, true ]
Ag12Au4
Ag3Au
A3B
[ "Ag", "Au" ]
[ 0.75, 0.25 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_103" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4925964680175343111561024
4925964680175343111561024845350876491212474525316340232917464050184177476330200149525168756796106812000660719164846226541245048711777806138352343380088157
2025-04-16T18:07:46
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-34.583309
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true
null
null
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null
null
5.250504
1.515561
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CO_1463878029438054435764956
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[ true, true, true ]
Ag16
Ag
A
[ "Ag" ]
[ 1 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
16
1
0
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4925908385225881364781724
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2025-04-16T18:29:57
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-87.417137
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[ true, true, true ]
Ag26Au6
Ag13Au3
A13B3
[ "Ag", "Au" ]
[ 0.8125, 0.1875 ]
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32
2
0
[ 0, 0, 0 ]
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4925023280443664682988401
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2025-04-16T17:18:55
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-98.724817
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true
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CO_1241343479347382240679067
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[ true, true, true ]
Ag30Au2
Ag15Au
A15B
[ "Ag", "Au" ]
[ 0.9375, 0.0625 ]
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32
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_147" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4925100354886964890690109
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2025-04-16T19:00:56
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-40.372999
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true
null
null
null
null
null
0.085757
0.042878
null
CO_1580668898677303460444828
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[ [ 7.987199783325195, 0, 0 ], [ 0, 7.987199783325195, 0 ], [ 0, 0, 7.987199783325195 ] ]
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[ true, true, true ]
Ag2Au14
AgAu7
A7B
[ "Ag", "Au" ]
[ 0.125, 0.875 ]
[ 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_0" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4925405981715315322781391
4925405981715315322781391970998174332933681537449945409666881821674890515663140184756096905881832493240318558390535880478702366688986103338776633129572856
2025-04-16T18:47:34
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-106.790532
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[ true, true, true ]
AgAu31
AgAu31
A31B
[ "Ag", "Au" ]
[ 0.03125, 0.96875 ]
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32
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4929806696136845499233808
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2025-04-16T16:32:50
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-40.09356
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true
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null
null
0.114801
0.062281
null
CO_4454246099647973600600070
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[ true, true, true ]
Ag2Au14
AgAu7
A7B
[ "Ag", "Au" ]
[ 0.125, 0.875 ]
[ 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_247" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4929489341568220385917558
4929489341568220385917558287835400994217238550310530180212394428718615618084944768189717296644710379626158611082651273932331337046671328663055720769961366
2025-04-16T21:44:51
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-33.189482
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true
null
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null
null
null
0.224035
0.150298
null
CO_1074543469245979278723350
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[ true, true, true ]
Ag10Au6
Ag5Au3
A5B3
[ "Ag", "Au" ]
[ 0.625, 0.375 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_74" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4929380440959338819084740
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2025-04-16T17:17:12
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-39.119327
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true
null
null
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null
0.10953
0.058246
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CO_1200957987716968816398308
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[ true, true, true ]
Ag8Au8
AgAu
AB
[ "Ag", "Au" ]
[ 0.5, 0.5 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_250" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4928177784129097143418817
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2025-04-16T16:31:50
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-51.605966
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[ true, true, true ]
Au16
Au
A
[ "Au" ]
[ 1 ]
[ 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
1
0
[ 0, 0, 0 ]
[ "data.008_set.000_61" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4928976009513443043743747
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2025-04-16T16:33:14
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-110.486246
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[ true, true, true ]
Ag17Au15
Ag17Au15
A17B15
[ "Ag", "Au" ]
[ 0.53125, 0.46875 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
32
2
0
[ 0, 0, 0 ]
[ "data.132_set.000_7" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4927894342265845424087549
4927894342265845424087549824280628085385589952082981607228180188338639876986891953913579433198715947935984873494542735307222841317565637384326334437641675
2025-04-16T21:37:22
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-15.935517
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true
null
null
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null
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[ true, true, true ]
Au6
Au
A
[ "Au" ]
[ 1 ]
[ 79, 79, 79, 79, 79, 79 ]
6
1
0
[ 0, 0, 0 ]
[ "data.038_set.000_68" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4927925109465479147419558
4927925109465479147419558425658191984541274105004378541263528138526801610488963338774979473980335060798350115530410729897811524338612921690186873083887992
2025-04-16T20:39:54
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-55.329956
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true
null
null
null
null
null
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CO_4532462832687672957904488
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[ true, true, true ]
Ag10Au6
Ag5Au3
A5B3
[ "Ag", "Au" ]
[ 0.625, 0.375 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_270" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4927094986213343845310958
4927094986213343845310958809127427670853018938334520847315263351219409292641242995545798455986141913014833027748885291705974856860941167445931555159961855
2025-04-16T17:54:05
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-52.973187
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true
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0.855181
0.511874
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CO_4113142754058622495403663
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[ true, true, true ]
Ag6Au10
Ag3Au5
A5B3
[ "Ag", "Au" ]
[ 0.375, 0.625 ]
[ 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_251" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4927290518862789611480684
4927290518862789611480684203480915746030827345950005596562805118655814536335798017435924436925124700239842780791836304302865605328801685495075510710087026
2025-04-16T20:20:36
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-109.187213
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true
null
null
null
null
null
3.097561
1.760893
null
CO_4373251161838624843197076
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[ true, true, true ]
Ag2Au30
AgAu15
A15B
[ "Ag", "Au" ]
[ 0.0625, 0.9375 ]
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32
2
0
[ 0, 0, 0 ]
[ "data.520_set.000_14" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4927725743435932769766702
49277257434359327697667028782669446084206983409763920885783662347267972744058461071938646649501968276314701905973128164131248729606900291794332865639156
2025-04-16T20:16:22
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-88.508813
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true
null
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4.974267
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CO_1451795001161737734223848
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[ true, true, true ]
Ag3Au29
Ag3Au29
A29B3
[ "Ag", "Au" ]
[ 0.09375, 0.90625 ]
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32
2
0
[ 0, 0, 0 ]
[ "data.522_set.000_11" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4933287045112439876455621
4933287045112439876455621867004319406771370811518351970412314390650324755130698833557733498648160445147726590283380345536140641696553675009088965812775601
2025-04-16T21:51:00
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
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Ag44Au4
Ag11Au
A11B
[ "Ag", "Au" ]
[ 0.9166666666666666, 0.08333333333333333 ]
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48
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null
data/MD/4240/MD_9985399391223336507104240.json
null
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PO_4933627352904034678331596
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2025-04-16T16:31:56
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-51.578753
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[ true, true, true ]
Ag14Au2
Ag7Au
A7B
[ "Ag", "Au" ]
[ 0.875, 0.125 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79 ]
16
2
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
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PO_4933396795552633143703926
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2025-04-16T16:42:47
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-95.808817
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[ true, true, true ]
Ag2Au30
AgAu15
A15B
[ "Ag", "Au" ]
[ 0.0625, 0.9375 ]
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32
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
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PO_4933645375469315919539132
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2025-04-16T18:33:38
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-55.240511
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true
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[ true, true, true ]
Au16
Au
A
[ "Au" ]
[ 1 ]
[ 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
1
0
[ 0, 0, 0 ]
[ "data.034_set.000_60" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4933875878540188638444546
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2025-04-16T16:01:25
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-42.478528
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true
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null
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[ true, true, true ]
Au12
Au
A
[ "Au" ]
[ 1 ]
[ 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
12
1
0
[ 0, 0, 0 ]
[ "data.025_set.000_94" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4933248006664355247467623
4933248006664355247467623865020581965719917572610597701237381263625107258399360021630103566591235321129929747101412076912906356843792547387912091672605756
2025-04-16T21:37:22
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-32.670954
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true
null
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null
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[ true, true, true ]
Ag10Au6
Ag5Au3
A5B3
[ "Ag", "Au" ]
[ 0.625, 0.375 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_81" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4933348609794199250177190
4933348609794199250177190587163106343745537784530775740562317006483452833130351791269091862419564588080786318660893812978845787712939427975973396309046976
2025-04-16T18:26:36
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-109.752084
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true
null
null
null
null
null
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[ true, true, true ]
Ag8Au24
AgAu3
A3B
[ "Ag", "Au" ]
[ 0.25, 0.75 ]
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32
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_134" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4935756239174879864503990
4935756239174879864503990731635589519794761634973556818834985794605951397209581621810950854923628410129911061529770433219713844532465407775704038247289306
2025-04-16T20:19:31
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-63.255989
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1.716063
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[ true, true, true ]
Au32
Au
A
[ "Au" ]
[ 1 ]
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32
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_352" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4934118132932215034750771
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2025-04-16T18:07:48
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-107.659137
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true
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[ true, true, true ]
Ag19Au13
Ag19Au13
A19B13
[ "Ag", "Au" ]
[ 0.59375, 0.40625 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
32
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_105" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4934091689017535867920886
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2025-04-16T22:03:29
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-57.795268
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true
null
null
null
null
null
2.721337
1.252065
null
CO_1117547887397244364802090
11175478873972443648020903517992412009792734734249659190720656228946750742181876563015615881262164035604425344666449876879085492299556385053698361776603340
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[ true, true, true ]
Ag2Au14
AgAu7
A7B
[ "Ag", "Au" ]
[ 0.125, 0.875 ]
[ 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "data.256_set.000_11" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4934747064160810131141212
4934747064160810131141212695621275456295228694156498989111145869031998184714500986654861380176924972169638666321353725240816582337004011398644101102987156
2025-04-16T20:27:55
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-83.147257
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[ true, true, true ]
Ag29Au3
Ag29Au3
A29B3
[ "Ag", "Au" ]
[ 0.90625, 0.09375 ]
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null
data/MD/4240/MD_9985399391223336507104240.json
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PO_4931201310572565396898349
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2025-04-16T17:56:28
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-46.350363
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[ true, true, true ]
Ag5Au11
Ag5Au11
A11B5
[ "Ag", "Au" ]
[ 0.3125, 0.6875 ]
[ 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "data.282_set.000_6" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4931003973361672416522267
493100397336167241652226721372943582374746682447629177879433858023140845884309861940588484721094566815862426315388206567112638699511727041681670052420832
2025-04-16T20:31:48
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-142.156815
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[ true, true, true ]
Ag41Au7
Ag41Au7
A41B7
[ "Ag", "Au" ]
[ 0.8541666666666666, 0.14583333333333334 ]
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48
2
0
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null
data/MD/4240/MD_9985399391223336507104240.json
null
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PO_4931944310709180217418874
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2025-04-16T16:26:45
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-114.429407
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[ true, true, true ]
Ag15Au17
Ag15Au17
A17B15
[ "Ag", "Au" ]
[ 0.46875, 0.53125 ]
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[ "deepmd_set.000_6" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4931249930230771356192137
4931249930230771356192137373650180511161403005226360314560187059927053305395796936117592250854792799505809549984470114032907251845276144086854205313568921
2025-04-16T17:49:49
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-93.398841
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[ true, true, true ]
Ag22Au10
Ag11Au5
A11B5
[ "Ag", "Au" ]
[ 0.6875, 0.3125 ]
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32
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4931792195721901730742391
4931792195721901730742391739198247707330966457786080207449679018519250878784035835730152200944145351256350214906682255647006268973287331870415982261775501
2025-04-16T20:58:52
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-50.268495
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CO_6527445183283913035015073
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[ true, true, true ]
Ag16
Ag
A
[ "Ag" ]
[ 1 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
16
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_793" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4931227278957665861633626
4931227278957665861633626854285727691968156332279135251948770122584248080964307895932144123243075671039309593448711049103144435372903917275870401581495482
2025-04-16T21:51:46
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-32.529026
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true
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Ag3Au13
Ag3Au13
A13B3
[ "Ag", "Au" ]
[ 0.1875, 0.8125 ]
[ 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_93" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4931462026192667286005829
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2025-04-16T18:59:53
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-45.977957
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[ true, true, true ]
Ag16
Ag
A
[ "Ag" ]
[ 1 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
16
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_111" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4931266569866638800544938
4931266569866638800544938056920218241523061660544689358112902157970017797252744357826400480897621609230281238451045072825940187944154184226467548470392486
2025-04-16T17:59:02
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-123.092496
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[ true, true, true ]
Au32
Au
A
[ "Au" ]
[ 1 ]
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32
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_58" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4931602686301655172593978
4931602686301655172593978717603855988562030612332034339005217806044500858502058642072237191466203727103884529303071626419126008762376171441597125312881328
2025-04-16T20:11:56
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-45.86355
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[ true, true, true ]
Ag15Au
Ag15Au
A15B
[ "Ag", "Au" ]
[ 0.9375, 0.0625 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_208" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4931366540210730784034918
493136654021073078403491853228589024089918733731930264294149273686023679539560376770385959754635011572550056758222202665718886135074048117448876290770680
2025-04-16T18:21:55
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-29.827405
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[ true, true, true ]
Au12
Au
A
[ "Au" ]
[ 1 ]
[ 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
12
1
0
[ 0, 0, 0 ]
[ "data.025_set.000_55" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4936278256209543762997942
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2025-04-16T18:22:38
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-55.455234
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CO_3704490377279044739830744
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[ true, true, true ]
Ag5Au11
Ag5Au11
A11B5
[ "Ag", "Au" ]
[ 0.3125, 0.6875 ]
[ 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_229" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4936547124790862546496016
4936547124790862546496016558892592558066688936982689199407830185654370495160347265582838830432136884146386821958470418997289780960310953449124706992177725
2025-04-16T21:09:01
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-28.299616
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0.064278
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CO_4810235675107944178983184
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[ true, true, true ]
Ag15Au
Ag15Au
A15B
[ "Ag", "Au" ]
[ 0.9375, 0.0625 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_128" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4936024366338583713755352
4936024366338583713755352322645565034945363743236206541068723183376632044649745204906283803102949227604246360389511739362828032201981278415960178056005885
2025-04-16T20:15:15
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-161.838545
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true
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CO_1008658552332305562786051
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[ true, true, true ]
Ag20Au28
Ag5Au7
A7B5
[ "Ag", "Au" ]
[ 0.4166666666666667, 0.5833333333333334 ]
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48
2
0
[ 0, 0, 0 ]
[ "data.788_set.000_11" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4936185853498999597218008
4936185853498999597218008974979500173769598443202466414548639424961536958439435945007258252531150619469176033779432886148184841772428829560960444022060450
2025-04-16T16:21:06
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-33.446678
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[ true, true, true ]
Ag5Au11
Ag5Au11
A11B5
[ "Ag", "Au" ]
[ 0.3125, 0.6875 ]
[ 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_81" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4936429036688539697278960
4936429036688539697278960151861279525104798843708926002891209871435656112845617499589811815770860317940667705025110153591819088051556060007882405738167032
2025-04-16T16:54:28
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-107.354401
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[ true, true, true ]
Ag9Au23
Ag9Au23
A23B9
[ "Ag", "Au" ]
[ 0.28125, 0.71875 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
32
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_145" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4937507697094448669789536
4937507697094448669789536047320219956462408216983374031226146479275598679699395487942784490671580386000861423021143418265802648469159263648508900902506546
2025-04-16T20:57:06
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-89.372099
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CO_1303111294109937419423198
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[ true, true, true ]
Ag7Au25
Ag7Au25
A25B7
[ "Ag", "Au" ]
[ 0.21875, 0.78125 ]
[ 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
32
2
0
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[ "data.701_set.000_3" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4937455703604505801089168
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2025-04-16T21:52:07
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-116.136131
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Ag9Au23
Ag9Au23
A23B9
[ "Ag", "Au" ]
[ 0.28125, 0.71875 ]
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data/MD/4240/MD_9985399391223336507104240.json
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PO_4937003504576831280568574
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2025-04-16T20:03:29
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-94.061108
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[ true, true, true ]
Ag17Au15
Ag17Au15
A17B15
[ "Ag", "Au" ]
[ 0.53125, 0.46875 ]
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32
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4939141516965106856177987
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2025-04-16T19:02:23
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-85.321732
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[ true, true, true ]
Ag16Au16
AgAu
AB
[ "Ag", "Au" ]
[ 0.5, 0.5 ]
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data/MD/4240/MD_9985399391223336507104240.json
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PO_4939973134487874013067410
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2025-04-16T20:46:51
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-115.027458
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[ true, true, true ]
Ag14Au18
Ag7Au9
A9B7
[ "Ag", "Au" ]
[ 0.4375, 0.5625 ]
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32
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
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PO_4939015108438977938332921
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2025-04-16T16:09:58
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-39.875548
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true
null
null
null
null
null
2.542122
0.90583
null
CO_5890766939133324956882910
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[ true, true, true ]
Ag9Au7
Ag9Au7
A9B7
[ "Ag", "Au" ]
[ 0.5625, 0.4375 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "data.505_set.000_12" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4939943443825136925581338
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2025-04-16T17:11:55
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-55.591721
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true
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[ true, true, true ]
Ag9Au7
Ag9Au7
A9B7
[ "Ag", "Au" ]
[ 0.5625, 0.4375 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_8" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4939171480112225714042134
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2025-04-16T16:03:51
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-32.734006
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true
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1.159787
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CO_9253945191573878775089374
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[ true, true, true ]
Ag8Au8
AgAu
AB
[ "Ag", "Au" ]
[ 0.5, 0.5 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_172" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4939349293622223168950049
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2025-04-17T18:48:22
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-41.78876
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Ag15Au
Ag15Au
A15B
[ "Ag", "Au" ]
[ 0.9375, 0.0625 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "data.516_set.000_10" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4930054795427571557755898
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2025-04-16T15:44:28
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-47.338765
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[ true, true, true ]
Ag15Au
Ag15Au
A15B
[ "Ag", "Au" ]
[ 0.9375, 0.0625 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_141" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4930545339588061750533965
4930545339588061750533965645279818639470424232577258623637673137276034328077327999285967048462183489589601933774993928880636275303869316122362652118325710
2025-04-16T19:03:50
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-105.804185
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[ true, true, true ]
Ag28Au4
Ag7Au
A7B
[ "Ag", "Au" ]
[ 0.875, 0.125 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79 ]
32
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_38" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4930057267475079256455502
4930057267475079256455502378927271490899460689084754325797961527862051551503273075979010067074831865520168688369772542994138409738852519742425097543456700
2025-04-16T18:52:57
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-54.874293
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true
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CO_1068393432832882747661096
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[ true, true, true ]
Au16
Au
A
[ "Au" ]
[ 1 ]
[ 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
1
0
[ 0, 0, 0 ]
[ "data.032_set.000_38" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_4932759673712148176354629
4932759673712148176354629445955549594938269748083572487501139515770911474024040751476152896802780235358750717924474847652410060535604903538661778216231073
2025-04-16T16:05:15
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-17.96223
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[ true, true, true ]
Ag14Au2
Ag7Au
A7B
[ "Ag", "Au" ]
[ 0.875, 0.125 ]
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16
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
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PO_4932320960389983140812456
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2025-04-16T20:58:52
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-120.035937
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[ true, true, true ]
Ag3Au29
Ag3Au29
A29B3
[ "Ag", "Au" ]
[ 0.09375, 0.90625 ]
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32
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_76" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_4932812686810040319532692
4932812686810040319532692724524814800753378871495149728645869063145641827940671622583139713044743119369780491551999586104057570789271219529222219767499539
2025-04-16T21:51:46
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-117.210829
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[ true, true, true ]
Ag6Au26
Ag3Au13
A13B3
[ "Ag", "Au" ]
[ 0.1875, 0.8125 ]
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32
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null
data/MD/4240/MD_9985399391223336507104240.json
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PO_1004078371367613563230705
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2025-04-16T21:27:46
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-51.565915
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CO_3212948286989789574737732
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[ true, true, true ]
Ag13Au3
Ag13Au3
A13B3
[ "Ag", "Au" ]
[ 0.8125, 0.1875 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_92" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_1004006855077017999560135
10040068550770179995601351696781459488927505461789162465014577667034399141250811965896912446141050316267979367531742685411656314579201914932077802751319542
2025-04-16T21:29:37
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-51.628746
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true
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[ true, true, true ]
Ag12Au4
Ag3Au
A3B
[ "Ag", "Au" ]
[ 0.75, 0.25 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_221" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_1004205955684949595778090
10042059556849495957780900082468231445389549552900749832328995102725407245670420582752650533110276714484483091037151436956317761213972068169992856067444521
2025-04-16T17:42:15
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-27.32327
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[ true, true, true ]
Ag32
Ag
A
[ "Ag" ]
[ 1 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
32
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_6" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_1004279318276206443230040
10042793182762064432300403586137048197179904966766789992658888155593782922302805864301028852606970306527245546643343565885945728439780923806480013050634809
2025-04-16T16:07:26
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-43.438918
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CO_1240349610029060253660970
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[ true, true, true ]
Ag14Au2
Ag7Au
A7B
[ "Ag", "Au" ]
[ 0.875, 0.125 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "data.472_set.000_0" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_1004200839999205349697232
10042008399992053496972320599556478715898935130393568821744636410073295585960179310799515278611497131765915784674457487759367244607373200134724166601562686
2025-04-16T20:33:11
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-49.649762
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[ true, true, true ]
Ag8Au8
AgAu
AB
[ "Ag", "Au" ]
[ 0.5, 0.5 ]
[ 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
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[ "deepmd_set.000_80" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_1004261891622663320139168
10042618916226633201391688876928712110570855353524979281856871788668649074744813961302013376234222571131079088974889091593021828891350707805854091960821067
2025-04-16T15:44:40
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-104.96073
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[ true, true, true ]
Ag18Au14
Ag9Au7
A9B7
[ "Ag", "Au" ]
[ 0.5625, 0.4375 ]
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32
2
0
[ 0, 0, 0 ]
[ "data.723_set.000_7" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_1004285365394809525399513
10042853653948095253995130599767314242419628330210790903094502462383560703010033677303040310556884700060371316030461528506393377698688272966921521234173676
2025-04-16T21:52:07
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-87.543285
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[ true, true, true ]
Ag17Au15
Ag17Au15
A17B15
[ "Ag", "Au" ]
[ 0.53125, 0.46875 ]
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32
2
0
[ 0, 0, 0 ]
[ "data.721_set.000_5" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_1004440409141064417243164
10044404091410644172431642860243926275750116774637928104029701315175310932230446441040164558884993946013409353968047068885003297979050892775182133646483546
2025-04-16T21:09:01
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-13.0514
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true
null
null
null
null
null
1.275896
0.845794
null
CO_9287046090496234537214467
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[ true, true, true ]
Ag3Au13
Ag3Au13
A13B3
[ "Ag", "Au" ]
[ 0.1875, 0.8125 ]
[ 47, 47, 47, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
0
[ 0, 0, 0 ]
[ "deepmd_set.000_47" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_1004425529390806844283182
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2025-04-16T16:32:54
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-93.54393
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[ true, true, true ]
Ag19Au13
Ag19Au13
A19B13
[ "Ag", "Au" ]
[ 0.59375, 0.40625 ]
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32
2
0
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[ "data.616_set.000_3" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
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PO_1004412807288777894916389
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2025-04-16T21:27:46
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-93.228089
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[ true, true, true ]
Ag26Au6
Ag13Au3
A13B3
[ "Ag", "Au" ]
[ 0.8125, 0.1875 ]
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32
2
0
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null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_1004419151446260682536384
10044191514462606825363846819219018352158950536221146357939212429918105504296245380113169624242542429977782887218350542487311377369207748770999821558606446
2025-04-16T15:41:31
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-61.562605
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true
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null
0.271772
0.159761
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CO_3133845808145737849336932
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[ true, true, true ]
Au16
Au
A
[ "Au" ]
[ 1 ]
[ 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
1
0
[ 0, 0, 0 ]
[ "deepmd_set.000_49" ]
null
data/MD/4240/MD_9985399391223336507104240.json
null
null
null
{"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"}
PO_1004325828351201096965959
10043258283512010969659599779144613303131730317714110715688322589276080015435189142702495981033599806555346795309548291603944525368749930173492843607773257
2025-04-16T21:23:51
DS_t0ec1irmeo59_0
1
VASP
DFT-PBE-D3
-102.385932
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Au32
Au
A
[ "Au" ]
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data/MD/4240/MD_9985399391223336507104240.json
null
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