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13
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[
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1
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1,
1
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[
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77,
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29,
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12,
12
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1,
1
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[
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[
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true,
true
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79,
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79,
79,
79
] | 32 | 4 | 3 | [
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1,
1
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[
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44,
44,
44,
44,
44,
44,
44,
44,
44,
44,
44,
44
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1
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PO_4438513094353564710516953 | 4438513094353564710516953843549668081200796819697175114248115730845627687886242079482136496982442319179252584715661478586653406718350880079799851322369038 | 2025-04-16T17:03:28 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -126.736832 | [
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[
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50,
82,
26,
1,
1,
8,
47,
13
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1,
1
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PO_4438427037278975340956158 | 4438427037278975340956158999257909320445830597680906760499610666614503735255346233941009601615348915330660490341659519711886351629014703555393658022286976 | 2025-04-16T17:44:15 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -29.649451 | [
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[
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0.6386834... | [] | null | null | null | null | null | null | 2.034732 | 1.134479 | null | CO_7484674240874167572892283 | 7484674240874167572892283648365145689834006634667215611636560386393238044258482947993731045605380650643647197286383610470560227644328462460652216013965919 | 1313852506373823269067096617742106958183153714228961174814257671550822073862617941003785704505107831350556577955506935265298928336349334453388681822272499 | [
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[
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true,
true
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42,
82,
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78,
16,
46,
17
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1,
1
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PO_4440010996249702662373632 | 4440010996249702662373632226835983317934018764781445267147863455353761992169222109844635761521847694116187023080043979670848207499305663344776597196792830 | 2025-04-16T17:45:43 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -124.892348 | [
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[
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[
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1.0835258... | [] | null | null | null | null | null | null | 6.774847 | 2.216872 | null | CO_7814575008222302616086360 | 7814575008222302616086360528641294963960904004319694276132623325953771350966587935226465184379144373797768466849230352409477701735726067671086085752069902 | 13359992163079291720607234290935097180732982350274850424139917058721859366100674758753473044747616026728857188232206264215444266674881039331892327682861404 | [
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[
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2.... | [
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true
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29,
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78,
78,
24,
24,
28,
28,
25,
25,
19,
19,
47,
47
] | 32 | 14 | 3 | [
1,
1,
1
] | [
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PO_4440548658832666078700590 | 4440548658832666078700590047132778155699342653046458175051305128168207954719705082554636072191692797036666783259949105125630048175461699046716103336205504 | 2025-04-16T17:32:52 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -144.32312 | [
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[
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[
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[
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0.07028878... | [] | null | null | null | null | null | null | 2.525472 | 1.389995 | null | CO_6884121146828799999945166 | 6884121146828799999945166626186887788668303498278181694630602023020171607581191980169828926598428728553943645326948409376281509887047703956011217272622611 | 384120393150429416018731148597508521343207422040236337556979585109408794368503069945417979889295757679759435752955058124976168974492123744368386688198784 | [
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[
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[
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[
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7.38725363
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[
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2.83664181,
... | [
true,
true,
true
] | HAl2Au2Ca2ClCoCr3FeIrNNi3O2PSSc3Sn3TiV2Zn | Al2Au2Ca2ClCoCr3FeHIrNNi3O2PSSc3Sn3TiV2Zn | A3B3C3D3E2F2G2H2I2JKLMNOPQRS | [
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"S",
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0.03125,
0.03125,
0.03125,
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0.0625,
0.03125,
0.03125,
0.09375,
0.09375,
0.03125,
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28,
28,
79,
79,
16,
17,
27,
7,
77,
24,
24,
24,
15,
22,
30
] | 32 | 19 | 3 | [
1,
1,
1
] | [
"hme21_train_18545"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4440138404401647651204934 | 4440138404401647651204934832002642657085965775712618010728632745341721112408948753405414368757931048792590384219304132769584366271244558474593412183707669 | 2025-04-16T16:31:02 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -27.363002 | [
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[
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[
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[
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... | [] | null | null | null | null | null | null | 1.150632 | 0.457634 | null | CO_3719178545371595742887141 | 3719178545371595742887141281008115254134446056216667109646509025971670881103960216176440977904469515230845904650974981717931804907463911675038981308985280 | 7512661714279305919012474897648386565040291124106395394778325004772694896667285290291793470066772609063066577588528720413900980809337005715650705513553241 | [
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[
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[
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16.61859003
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[
2.2416614,
2.11917367,
... | [
true,
true,
true
] | Na16Zn16 | NaZn | AB | [
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11,
11,
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11,
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30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_train_4470"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4439033910900776493008351 | 4439033910900776493008351148158467569722361769404250117790017923513660020680232300301785666175448407766495309098703511131098506733410712482834296472691238 | 2025-04-16T16:28:49 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -109.595191 | [
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[
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[
0.50199018,
-1.0... | [] | null | null | null | null | null | null | 1.375138 | 0.600769 | null | CO_2013335121555446327033015 | 2013335121555446327033015011068286577231156900330446430265690212875201741049832597478929875285884669324013480925036459169222308098767680445683689580773937 | 5406244532020397368739113645205630471664704559098681637760284817711092289361886482800618535856871417881129210399520184454300088433492030013214442187733962 | [
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[
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[
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[
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[
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[
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7.12558141,
8.5768093
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[
2.77307026,
7.31311425,
8... | [
true,
true,
true
] | Fe16Pb16 | FePb | AB | [
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0.5
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26,
26,
26,
26,
26,
26,
26,
26,
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26,
26,
26,
26,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_train_1473"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4439360806443857066920341 | 4439360806443857066920341500352079990800991626410347071482861708069542278688368946442529326325372753939622902099058382912712727579737614263771521836392863 | 2025-04-16T20:12:06 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -144.301185 | [
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[
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[
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0.35203507
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[
2.64866188,
-0.12686... | [] | null | null | null | null | null | null | 7.819184 | 3.179818 | null | CO_1082828033948319992659665 | 10828280339483199926596654304162684874292829028480868734516180221003675623277053403561224399865855935921151236920138040368739326603096701034951603473293929 | 7558687831943597476530749658063969989061063305337674935308971958793947538888142140881725147618128373113461404628925908985001077691459134398100534390692160 | [
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[
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[
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[
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3.10317835
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[
3.13385397,
1.43885101,
... | [
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true,
true
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13
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[
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[
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47,
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46
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[
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[
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true
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[
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true,
true
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25,
1,
1,
1,
1,
1,
1,
1,
1
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1,
1
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[
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16
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PO_4988053368913684453907455 | 4988053368913684453907455246750465842213423985860872085536959898351027250952962184578119022706524285287756255673122793574088450481687172063930207182334351 | 2025-04-16T18:22:53 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -44.102672 | [
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[
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14
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PO_4979895793885319088280203 | 4979895793885319088280203988378643843442338579140622579171635453749110852451784047663839296720317947670081850331042626809300315207446068538968788309620631 | 2025-04-16T18:57:59 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -68.720944 | [
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[
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13,
13,
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13,
13,
13
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1,
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PO_4976102450697312561445421 | 4976102450697312561445421886412178240252974800258986487751555737151562276393845974475133595077662449363385982177942686940593707237490726959905548146414978 | 2025-04-16T21:29:37 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -43.057292 | [
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[
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47
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PO_4976366317701735946304867 | 4976366317701735946304867311665852324471513653193617879241926472724164124882935352510043162991848678423505890314302565485324615619777532782527145839294633 | 2025-04-16T16:49:48 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -90.305389 | [
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[
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PO_4976160851079607215254736 | 4976160851079607215254736732072610974447402084670054234301479977677541323399808754509093523876629145428532281628285132763837198628670104668125583383931515 | 2025-04-16T21:22:14 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -108.853549 | [
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[
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PO_4976111443163914434998969 | 4976111443163914434998969001597642120634205771192699419243315315923273141652474466962451434170368954311186491757580722719655424851127748217182049964485048 | 2025-04-16T21:57:13 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -28.01866 | [
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[
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0.9876... | [] | null | null | null | null | null | null | 6.174998 | 2.906907 | null | CO_1140839311655125671167610 | 11408393116551256711676108689397548396035037398634398907878211734315395393915043556215337652488643411696977232818228791929216527717576554234601745451003447 | 8791582789101012499596856502396170025592443079802237972877369339623115414843542538923151776724067393870857063397906085493323261311606633995068318186630040 | [
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[
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true,
true
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PO_4983114434940148917206286 | 498311443494014891720628656194769472269375496295368618010376422014536544504639514510683459473412561360496468920513823250475522162746737874654247614681699 | 2025-04-16T17:41:42 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -106.541979 | [
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[
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[
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true,
true
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PO_4983916152204589544431185 | 4983916152204589544431185037984971482687960948586922052697223032091609481861096151373406618297792876608139028828709154869057785266598257584713362331417157 | 2025-04-16T18:55:10 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -131.343265 | [
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[
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[
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true,
true
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44,
44,
44,
44,
44,
44,
44,
44
] | 32 | 4 | 3 | [
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1,
1
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[
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1.63... | [] | null | null | null | null | null | null | 8.091888 | 2.531605 | null | CO_1055956389124273727984143 | 10559563891242737279841434650192437381640704214065682017553729931029059396784675986804154255034785077930540990785386986342037397979488181164448005146638419 | 10760560962192690720679527381121097534333407352525419229406371355249500133433505032540299019977866515142085736346879649954508068952272123271356176495436235 | [
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true
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1,
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1,
1,
1,
1,
1,
1
] | 32 | 2 | 3 | [
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1
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PO_4973910773447170845516008 | 4973910773447170845516008614140537520330262556185786412456936590684583506292427790808619396956637965580170652558619298470496777204872176869309245422737622 | 2025-04-16T15:44:32 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -88.669629 | [
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[
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0.000748... | [] | null | null | null | null | null | null | 8.046876 | 2.11807 | null | CO_3536984977889648985331442 | 3536984977889648985331442727120034371142046025898857253827489601136047034862473633365304030592689585185777189809859455180114984484118810526279612394859963 | 3099349622337835569166336141609502103951811624764610626433723923862072060734816521027241023973176247770824320312408518274988090890483412734918400644141865 | [
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[
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[
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true,
true
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15,
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15,
15,
15,
15,
15
] | 32 | 2 | 3 | [
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1,
1
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] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4973514666013626045360806 | 497351466601362604536080614885538897902195263645283061150543749933403944500146398469238408059027458212691340724794928427796649972351995463805381521570426 | 2025-04-16T17:31:19 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -94.784699 | [
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[
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[
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4.61... | [] | null | null | null | null | null | null | 10.989768 | 3.054479 | null | CO_1229722863120737533866537 | 12297228631207375338665377175152100231402274733493514234256382738708129858372235705078261744381690877921092740854084467745762233401112924273433094863562718 | 4853285085033942462838698492361008297653108758442711577341001074331503210204006945393605972411901486711537622751520328172417875672163959950667875311256327 | [
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[
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... | [
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true,
true
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78,
78,
78
] | 32 | 2 | 3 | [
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1,
1
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PO_4974505719103686387253525 | 4974505719103686387253525459191047646033420326888727729535863381939528500573284475247229535616171474758899994204239127212622488961810123184459960878075918 | 2025-04-16T18:44:42 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -179.459049 | [
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[
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[
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[
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-1.12333... | [] | null | null | null | null | null | null | 12.47006 | 5.490358 | null | CO_9938024254352220343330984 | 9938024254352220343330984302135423404152852450464249962924550232300948248341161195927834218013149299063192701164172792741626447401444986389114281894790342 | 5467878629924594596739041093471232038900851151720792794973120228457430457973473167138042514304048966547449659010544142651359195643994123191341645107777846 | [
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[
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[
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8... | [
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true
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6
] | 32 | 1 | 3 | [
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PO_4974799596761817673405173 | 4974799596761817673405173424619667553999357657266512324459058606592336369603002468716699862758948194810747859528859121190237160424890251062703141068888177 | 2025-04-16T18:49:16 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -147.665458 | [
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[
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1.5595947... | [] | null | null | null | null | null | null | 5.341016 | 2.362951 | null | CO_5401053499007635871534950 | 5401053499007635871534950787226170979886115778820632097611199168860335577415108263102409507084807465161041465257953813575558653665958678157549918350016727 | 5516802603301116275894776589885524541430539004084839217017848376251239599149654162048780370812923359151331572837665198573449753526570582527444415447360219 | [
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[
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2.... | [
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true,
true
] | Au8Ca8P8Ru8 | AuCaPRu | ABCD | [
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79,
79,
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79,
79,
79
] | 32 | 4 | 3 | [
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1,
1
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PO_4981521777230315256156199 | 4981521777230315256156199306025291963247142181762363847239817055029978318505916601302529604357513109669889573057063247524156294671664466590395473827721223 | 2025-04-16T17:49:49 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -75.338511 | [
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[
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[
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[
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0.696501... | [] | null | null | null | null | null | null | 9.03861 | 2.246074 | null | CO_8541569048680807286914259 | 8541569048680807286914259197782904375377500752169955865302043549326700670840437898702526177509764911624319786184459245266409095825536402147766543364993792 | 1161525533319647059424451219804236652580383568772599958372320581653744828144667282530722800612240658104702488201995367936524682714378307103724710263792250 | [
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[
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[
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[
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5.29242657
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[
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... | [
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true,
true
] | Au8Pd8Zn16 | AuPdZn2 | A2BC | [
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46,
46,
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46,
46,
46,
46
] | 32 | 3 | 3 | [
1,
1,
1
] | [
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PO_4984364902893585937293952 | 4984364902893585937293952971575616614322243662408545776994505490114326837912011737846494886414507878702055027628225146714333543483133318026625101392752225 | 2025-04-16T17:30:41 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -102.371026 | [
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[
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true,
true
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27
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[
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[
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true
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47,
47
] | 32 | 3 | 3 | [
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1,
1
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[
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[
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true
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46,
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46
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1
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[
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[
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true
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29
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1
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[
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... | [] | null | null | null | null | null | null | 4.175524 | 1.621707 | null | CO_1192829776765587500130354 | 11928297767655875001303542868799859079801677645585263450748496412004928060515777944705495534678484077724912869653656822097284689248890540446195729119687611 | 9186792297765308289244024878180718167804720950566037826439374189788519411324640572917384108835090107941716618154415921690403324755478837014837226147083914 | [
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[
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true
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46,
46,
23,
23,
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24,
15,
15,
3,
3
] | 32 | 14 | 3 | [
1,
1,
1
] | [
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[
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[
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true
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8,
8,
8,
8,
8,
8,
8,
8,
8
] | 32 | 2 | 3 | [
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1,
1
] | [
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PO_4995696005808732464109992 | 4995696005808732464109992586646632198099216534620969287973343076132592568767971882138479642313694725736436874293415712716915343256477942797844614875758299 | 2025-04-16T18:28:43 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -122.63684 | [
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[
2.58074635,
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[
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true
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78,
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56,
17
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1,
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1
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[
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16
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1
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[
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[
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PO_4997727999637609301146461 | 499772799963760930114646148860307553721237803121674898043979136696641202410841667657423101018534832915243633025334097487780719560410553039433784586489124 | 2025-04-16T16:29:51 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -124.475644 | [
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[
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[
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] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
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[
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[
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PO_4434402492536264283828295 | 4434402492536264283828295873859889488125411781084625627823711851095626379944292579711018071343068067297137403864032614300663752822283967053793743148588288 | 2025-04-16T20:29:09 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -162.341718 | [
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true
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46,
46,
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7,
15,
15,
20,
20
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1,
1
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9,
9,
9,
9,
9
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1,
1,
1
] | [
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PO_1010743639337862328795878 | 10107436393378623287958783596442468460255371005129168848550601952023589528588295147254318277105759336557769565098167921962767795848754042376933650060751434 | 2025-04-16T18:42:12 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -132.609826 | [
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[
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7,
7,
7,
7,
7,
7,
7,
7
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1
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PO_1011529111251017354466715 | 10115291112510173544667159174369627237559885095904535114486574587476960937647097803565964104395352170289879231835834072539817586188467304524810323928631785 | 2025-04-16T15:09:30 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -105.545508 | [
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25
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true,
true,
true
] | CAgAuBaClCoCuIrKMnNOPdSSnZn | AgAuBaCClCoCuIrKMnNOPdSSnZn | ABCDEFGHIJKLMNOP | [
"Ag",
"Au",
"Ba",
"C",
"Cl",
"Co",
"Cu",
"Ir",
"K",
"Mn",
"N",
"O",
"Pd",
"S",
"Sn",
"Zn"
] | [
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625
] | [
7,
29,
30,
27,
8,
56,
47,
50,
6,
19,
25,
79,
16,
46,
17,
77
] | 16 | 16 | 3 | [
1,
1,
1
] | [
"hme21_train_18162"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1011753019267550724726679 | 1011753019267550724726679461281030193099268327007907254858806449673703705993053254179487086261353082479194940029715623004029619484324902655704202367323666 | 2025-04-16T21:30:02 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -171.831521 | [
[
-0.23298823,
-1.45548657,
-0.49585239
],
[
-0.26355873,
0.50523183,
0.4769418
],
[
-0.52721761,
2.05755976,
1.28555573
],
[
-2.24673412,
1.75700287,
-2.3796601
],
[
-2.55078944,
1.80123446,
-0.58217499
],
[
-1.56930108,
0.4943... | [] | null | null | null | null | null | null | 5.510623 | 2.547285 | null | CO_1147947707041673735628650 | 11479477070416737356286508295171193627234551790159554210901479963348366036097584184551723960374419783192508726890842506414494038659539401997294366255255959 | 4531569973501975104401281537504485665471411951097392894189353770639652431596467410556026667079246921264519146617642743504489564090595679884409398917059684 | [
[
8.8,
0,
0
],
[
0,
8.8,
0
],
[
0,
0,
8.8
]
] | [
[
0.94288603,
7.85635092,
8.4698526
],
[
0.50270554,
8.48004837,
2.50135574
],
[
0.26348766,
4.99766731,
3.66801459
],
[
8.06941722,
1.9686033,
4.37253018
],
[
5.26496643,
6.87339092,
8.2188524
],
[
5.37534782,
0.67760299,
5... | [
true,
true,
true
] | Cr8Ir8Pb8S8 | CrIrPbS | ABCD | [
"Cr",
"Ir",
"Pb",
"S"
] | [
0.25,
0.25,
0.25,
0.25
] | [
82,
82,
82,
82,
82,
82,
82,
82,
16,
16,
16,
16,
16,
16,
16,
16,
24,
24,
24,
24,
24,
24,
24,
24,
77,
77,
77,
77,
77,
77,
77,
77
] | 32 | 4 | 3 | [
1,
1,
1
] | [
"hme21_train_9188"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1011783174858859125557094 | 10117831748588591255570944523443178045143727717821402035471201910214093430503333372091863753356707560626284718044347605469205090998906148599496872535368616 | 2025-04-16T15:42:57 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -126.989994 | [
[
-0.07924618,
-0.50669376,
0.46879738
],
[
-4.00193608,
3.24031501,
-3.13343763
],
[
-1.38939799,
-1.26019384,
-1.35510244
],
[
-1.35897943,
1.56363443,
1.49860351
],
[
0.78302722,
-0.24745943,
-0.12818087
],
[
2.65168941,
1.17... | [] | null | null | null | null | null | null | 6.13301 | 2.654461 | null | CO_4049258740335888142858631 | 40492587403358881428586310186082192970357411010265820269618632902475406590837785191176915510264567938790428432977815516741422188056408932620773192363817 | 12632092361930788876956938711739481338179315138297251379525985234993423767976411763050977967426758145464047411486253380957082070980043787632822025042198568 | [
[
8.8,
0,
0
],
[
0,
8.8,
0
],
[
0,
0,
8.8
]
] | [
[
7.51961918,
2.74463235,
4.27607162
],
[
2.40874524,
2.06762494,
4.01014046
],
[
6.67606834,
5.77727665,
2.62895054
],
[
0.88249251,
4.60921683,
6.62791747
],
[
3.48548385,
5.35061058,
7.25059113
],
[
7.18807681,
1.31399118,
... | [
true,
true,
true
] | CHAgAuBaCl2Co2CuFeLi3MnNNiO6P3Ru2SSiZn2 | AgAuBaCCl2Co2CuFeHLi3MnNNiO6P3Ru2SSiZn2 | A6B3C3D2E2F2G2HIJKLMNOPQRS | [
"Ag",
"Au",
"Ba",
"C",
"Cl",
"Co",
"Cu",
"Fe",
"H",
"Li",
"Mn",
"N",
"Ni",
"O",
"P",
"Ru",
"S",
"Si",
"Zn"
] | [
0.03125,
0.03125,
0.03125,
0.03125,
0.0625,
0.0625,
0.03125,
0.03125,
0.03125,
0.09375,
0.03125,
0.03125,
0.03125,
0.1875,
0.09375,
0.0625,
0.03125,
0.03125,
0.0625
] | [
8,
8,
8,
8,
8,
8,
15,
15,
15,
1,
3,
3,
3,
7,
29,
28,
44,
44,
26,
16,
79,
6,
27,
27,
14,
17,
17,
47,
30,
30,
25,
56
] | 32 | 19 | 3 | [
1,
1,
1
] | [
"hme21_train_5156"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
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