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true
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[
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true
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[
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true,
true
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true
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[
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true,
true
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[
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[
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true
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true,
true
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[
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[
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[
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true
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[
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[
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true
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[
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true
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[
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true
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[
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[
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true,
true
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true
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[
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true,
true
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[
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true,
true
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true
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[
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true
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true,
true
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[
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true,
true,
true
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true
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true
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[
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[
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true,
true
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true,
true
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true,
true
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[
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[
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true,
true,
true
] | HAu4NOPt11Rh | Au4HNOPt11Rh | A11B4CDEF | [
"Au",
"H",
"N",
"O",
"Pt",
"Rh"
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[
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[
2.7262918358... | [
true,
true,
true
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[
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[
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[
2.77213441485... | [
true,
true,
true
] | HNNiOPt7Tc8 | HNNiOPt7Tc8 | A8B7CDEF | [
"H",
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"O",
"Pt",
"Tc"
] | [
0.05263157894736842,
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0
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[
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[
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... | [
true,
true,
true
] | HNOPt11Zn5 | HNOPt11Zn5 | A11B5CDE | [
"H",
"N",
"O",
"Pt",
"Zn"
] | [
0.05263157894736842,
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7
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0,
0
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[
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[
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[
2.8156992026848324,
... | [
true,
true,
true
] | HNNiOPd4Pt11 | HNNiOPd4Pt11 | A11B4CDEF | [
"H",
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"Ni",
"O",
"Pd",
"Pt"
] | [
0.05263157894736842,
0.05263157894736842,
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0,
0
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[
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] | [
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[
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[
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14.999999999999998
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[
4.194910979389194,
4.194910979389194,
14.999999999999998
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... | [
true,
true,
true
] | HMn4NOPt11Rh | HMn4NOPt11Rh | A11B4CDEF | [
"H",
"Mn",
"N",
"O",
"Pt",
"Rh"
] | [
0.05263157894736842,
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0.05263157894736842,
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78,
78,
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78,
45,
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8,
1,
7
] | 19 | 6 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/2239/MD_4028144322349616297502239.json | data/MD/2111/MD_2590528331152874150092111.json | null | {"id": "MD_2590528331152874150092111", "hash": "2590528331152874150092111036114564592735219316273172350544527950406700998158549978178943274512333777338560759768017365529853767945502846175276701003454516"} | {"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616... |
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[
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] | [
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15
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[
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[
2.80949636766... | [
true,
true,
true
] | HMo8NOPt7Ru | HMo8NOPt7Ru | A8B7CDEF | [
"H",
"Mo",
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"O",
"Pt",
"Ru"
] | [
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42,
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8,
1,
7
] | 19 | 6 | 0 | [
0,
0,
0
] | [
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[
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0
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[
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15
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[
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15
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[
0,
0,
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[
2.69348403419... | [
true,
true,
true
] | HCo8NOPt8 | Co8HNOPt8 | A8B8CDE | [
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"H",
"N",
"O",
"Pt"
] | [
0.42105263157894735,
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0.05263157894736842,
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27,
78,
78,
27,
27,
78,
78,
27,
8,
1,
7
] | 19 | 5 | 0 | [
0,
0,
0
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[
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[
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true,
true
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[
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true,
true
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[
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[
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true,
true
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[
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[
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true,
true,
true
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[
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[
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... | [
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true,
true
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0
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[
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true
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[
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[
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[
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true,
true
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[
2.8183610... | [
true,
true,
true
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[
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true,
true
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true
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[
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true
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[
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true,
true
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[
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[
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true,
true
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[
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true,
true
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true,
true
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true
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[
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true,
true,
true
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true
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true,
true
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true,
true
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[
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true,
true
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[
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... | [
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true,
true
] | HNOPd8Pt7Zn | HNOPd8Pt7Zn | A8B7CDEF | [
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[
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true,
true
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[
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true,
true
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] | 19 | 6 | 0 | [
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0,
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] | [
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[
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[
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[
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true,
true
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[
4.187486358186735,
4.187486358186735,
14.999999999999998
],
[
... | [
true,
true,
true
] | HNOPt11Ru5 | HNOPt11Ru5 | A11B5CDE | [
"H",
"N",
"O",
"Pt",
"Ru"
] | [
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.5789473684210527,
0.2631578947368421
] | [
78,
78,
78,
78,
44,
78,
78,
44,
78,
78,
78,
78,
44,
78,
44,
44,
8,
1,
7
] | 19 | 5 | 0 | [
0,
0,
0
] | [
"tinnet_N_318"
] | null | data/MD/2239/MD_4028144322349616297502239.json | data/MD/7522/MD_1227318992030404961867522.json | null | {"id": "MD_1227318992030404961867522", "hash": "12273189920304049618675223574528171237974386327613856540474345399295561441931103671812772631352158986437262159065649151405422598141327799934353149176078550"} | {"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616... |
PO_8101240213126041152273701 | 8101240213126041152273701466341887273585272925688782572456526312513370281153430997667993371674981644167577000565103093126622593104306983406218937174816539 | 2025-04-17T17:45:49 | DS_ffsgl0wufoft_0 | 1 | VASP | rPBE | null | [] | [] | null | null | null | null | -4.245086 | null | null | null | null | CO_4560476854850708655983245 | 4560476854850708655983245268316252627395380962063813606949142588483261931357185484632402232224438793902872396185137162002391558225653902569777659404757496 | 6939581239775836392704598306843366633957069741433564578422776313636303212001842566478357965761630840150432262545704884176732314958731516137417685452614521 | [
[
5.5918004256232186,
0,
0
],
[
0,
5.5918004256232186,
0
],
[
0,
0,
35.931
]
] | [
[
1.3979501064058046,
1.3979501064058046,
14.999999999999998
],
[
4.193850319217414,
1.3979501064058046,
14.999999999999998
],
[
1.3979501064058046,
4.193850319217414,
14.999999999999998
],
[
4.193850319217414,
4.193850319217414,
14.999999999999998
],
... | [
true,
true,
true
] | HFeNOPt11Zn4 | FeHNOPt11Zn4 | A11B4CDEF | [
"Fe",
"H",
"N",
"O",
"Pt",
"Zn"
] | [
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.5789473684210527,
0.21052631578947367
] | [
78,
78,
78,
78,
30,
78,
78,
30,
78,
78,
78,
78,
30,
78,
26,
30,
8,
1,
7
] | 19 | 6 | 0 | [
0,
0,
0
] | [
"tinnet_N_236"
] | null | data/MD/2239/MD_4028144322349616297502239.json | data/MD/4677/MD_1756841064510924669634677.json | null | {"id": "MD_1756841064510924669634677", "hash": "1756841064510924669634677395197413745246362485869500714937014559608016962018439380428695714167736324025973629957059489621556626746565646982076828181284745"} | {"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616... |
PO_1492464550591782624554370 | 1492464550591782624554370164559079491277904321455617480445043993355000587815546095040010403147254335725694001854156081145884420815061768577310980319727665 | 2025-04-16T21:13:01 | DS_ffsgl0wufoft_0 | 1 | VASP | rPBE | null | [] | [] | null | null | null | null | -5.784135 | null | null | null | null | CO_2909557672373918319195703 | 29095576723739183191957037403965744569383789008361997061538770466447291462546387422240227494415853035250176683376013866134862657879906178205164453666637 | 3710719706904703395510708722565422449120412688941264915293904061413161773880660706243691390972983194337125401449014023779653808360739456499430902718857653 | [
[
5.58331514424898,
0,
0
],
[
0,
5.58331514424898,
0
],
[
0,
0,
35.922
]
] | [
[
1.395828786062245,
1.395828786062245,
14.999999999999998
],
[
4.187486358186735,
1.395828786062245,
14.999999999999998
],
[
1.395828786062245,
4.187486358186735,
14.999999999999998
],
[
4.187486358186735,
4.187486358186735,
14.999999999999998
],
[
... | [
true,
true,
true
] | HNOPt11Ru4Zn | HNOPt11Ru4Zn | A11B4CDEF | [
"H",
"N",
"O",
"Pt",
"Ru",
"Zn"
] | [
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.5789473684210527,
0.21052631578947367,
0.05263157894736842
] | [
78,
78,
78,
78,
44,
78,
78,
44,
78,
78,
78,
78,
44,
78,
30,
44,
8,
1,
7
] | 19 | 6 | 0 | [
0,
0,
0
] | [
"tinnet_N_308"
] | null | data/MD/2239/MD_4028144322349616297502239.json | data/MD/3280/MD_9018226157436686656753280.json | null | {"id": "MD_9018226157436686656753280", "hash": "9018226157436686656753280192658268324544297281190258742750678072948400589241490859529556211589991832284705594792365202540361337173273788034608205760202698"} | {"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616... |
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