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true,
true
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[
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[
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true,
true
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"H",
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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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[
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[
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true,
true,
true
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"Pd",
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true,
true
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true,
true
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0
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[
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true,
true,
true
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"H",
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"Os",
"Pd",
"Pt"
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[
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true,
true
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[
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true,
true,
true
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"Os",
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] | [
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[
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[
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[
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true,
true,
true
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"H",
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"Nb",
"O",
"Pt",
"Ru"
] | [
0.05263157894736842,
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41,
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7
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0,
0
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[
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15
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[
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[
2.77213441485... | [
true,
true,
true
] | HNOPt7RuTc8 | HNOPt7RuTc8 | A8B7CDEF | [
"H",
"N",
"O",
"Pt",
"Ru",
"Tc"
] | [
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
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78,
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1,
7
] | 19 | 6 | 0 | [
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0,
0
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] | null | data/MD/2239/MD_4028144322349616297502239.json | data/MD/2654/MD_2550259732463898988062654.json | null | {"id": "MD_2550259732463898988062654", "hash": "2550259732463898988062654842770249988192318126741359404256006199939924857771914869411967732213750260546993648521302720333104833438505770639026912767387362"} | {"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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0
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[
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] | [
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[
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15
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[
0,
0,
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[
2.77213441485... | [
true,
true,
true
] | HNOPt7Tc8W | HNOPt7Tc8W | A8B7CDEF | [
"H",
"N",
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"Pt",
"Tc",
"W"
] | [
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0.05263157894736842,
0.05263157894736842,
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1,
7
] | 19 | 6 | 0 | [
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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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... | [
true,
true,
true
] | HFe4NOPt11Ru | Fe4HNOPt11Ru | A11B4CDEF | [
"Fe",
"H",
"N",
"O",
"Pt",
"Ru"
] | [
0.21052631578947367,
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0.05263157894736842,
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44,
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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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] | [
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[
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[
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... | [
true,
true,
true
] | HCoFe4NOPt11 | CoFe4HNOPt11 | A11B4CDEF | [
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"H",
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"O",
"Pt"
] | [
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0.21052631578947367,
0.05263157894736842,
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78,
78,
26,
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26,
8,
1,
7
] | 19 | 6 | 0 | [
0,
0,
0
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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,
true
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"Fe",
"H",
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"O",
"Pt",
"Zn"
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[
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[
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true,
true,
true
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"H",
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"Pt",
"Ru"
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[
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true,
true,
true
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"Cu",
"H",
"N",
"O",
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[
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[
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true,
true,
true
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"N",
"O",
"Pt",
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0
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[
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[
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[
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true,
true,
true
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"H",
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"O",
"Pt"
] | [
0.05263157894736842,
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0,
0
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[
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[
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... | [
true,
true,
true
] | HCrNOPt11V4 | CrHNOPt11V4 | A11B4CDEF | [
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"O",
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] | [
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[
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[
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true,
true,
true
] | HHf4NOPt11Ru | HHf4NOPt11Ru | A11B4CDEF | [
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[
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] | [
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[
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true,
true,
true
] | HCd8NOPt7Rh | Cd8HNOPt7Rh | A8B7CDEF | [
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] | [
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0.05263157894736842,
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7
] | 19 | 6 | 0 | [
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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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[
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true
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[
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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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[
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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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true,
true
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true,
true
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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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"Pt",
"V"
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[
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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
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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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[
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true,
true
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[
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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
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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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[
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true,
true,
true
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"Pt"
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0.42105263157894735,
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28,
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8,
1,
7
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0
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[
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[
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true,
true,
true
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1,
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[
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[
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true,
true,
true
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45,
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29,
45,
8,
1,
7
] | 19 | 6 | 0 | [
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0,
0
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[
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] | [
[
1.3467420170965363,
1.3467420170965363,
15
],
[
4.040226051289609,
1.3467420170965363,
15
],
[
1.3467420170965363,
4.040226051289609,
15
],
[
4.040226051289609,
4.040226051289609,
15
],
[
0,
0,
16.90458082559562
],
[
2.69348403419... | [
true,
true,
true
] | HCo8NOPdPt7 | Co8HNOPdPt7 | A8B7CDEF | [
"Co",
"H",
"N",
"O",
"Pd",
"Pt"
] | [
0.42105263157894735,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.3684210526315789
] | [
27,
78,
78,
27,
27,
78,
78,
27,
27,
78,
78,
27,
27,
78,
46,
27,
8,
1,
7
] | 19 | 6 | 0 | [
0,
0,
0
] | [
"tinnet_N_124"
] | null | data/MD/2239/MD_4028144322349616297502239.json | data/MD/0828/MD_6531409700228418679600828.json | null | {"id": "MD_6531409700228418679600828", "hash": "653140970022841867960082806483843099317943214743069302275998456498232169332623123300734575931314625736990541913625166052664784913243093440863653018590050"} | {"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_3944398109766585708502765 | 3944398109766585708502765316898543846132500159125873947623789329012959015325095543164218277281866144778752008654628753117669650588273408764343014639893955 | 2025-04-16T15:45:08 | DS_ffsgl0wufoft_0 | 1 | VASP | rPBE | null | [] | [] | null | null | null | null | -4.922186 | null | null | null | null | CO_3890680432231897418065209 | 3890680432231897418065209208272659516871570293088205713316452553168484449104313227207747831248286652240880142014192995807262214617399308829005151407921978 | 9697563902284112097573480395370619224119165379604996316474425497159911125062259545427369705999767962477087029697456903792306424289256543696309504076996308 | [
[
5.546667309685438,
0,
0
],
[
0,
5.546667309685438,
0
],
[
0,
0,
35.88312910149648
]
] | [
[
1.3866668274213596,
1.3866668274213596,
15.000000000000002
],
[
4.160000482264079,
1.3866668274213596,
15.000000000000002
],
[
1.3866668274213596,
4.160000482264079,
15.000000000000002
],
[
4.160000482264079,
4.160000482264079,
15.000000000000002
],
... | [
true,
true,
true
] | HNOPt7Rh8Ru | HNOPt7Rh8Ru | A8B7CDEF | [
"H",
"N",
"O",
"Pt",
"Rh",
"Ru"
] | [
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.3684210526315789,
0.42105263157894735,
0.05263157894736842
] | [
45,
78,
78,
45,
45,
78,
78,
45,
45,
78,
78,
45,
45,
78,
44,
45,
8,
1,
7
] | 19 | 6 | 0 | [
0,
0,
0
] | [
"tinnet_N_65"
] | null | data/MD/2239/MD_4028144322349616297502239.json | data/MD/3420/MD_1049532614357295362183420.json | null | {"id": "MD_1049532614357295362183420", "hash": "10495326143572953621834200169346565231867767756699043040174608636728477239356844472717686369057366738338233759570667664162304692354208769673059335538334039"} | {"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_3951199888008126502863429 | 3951199888008126502863429942593831578423808054422920699159204369567926238551075986372904903436324415900509246737022690056542682936587223729916295477232336 | 2025-04-16T21:43:25 | DS_ffsgl0wufoft_0 | 1 | VASP | rPBE | null | [] | [] | null | null | null | null | -3.76012 | null | null | null | null | CO_6461263514289639221279299 | 6461263514289639221279299050386951114950256073410583918665469317402786573481794717977279724547812614887817997972653217085656965323245405091610868318692055 | 13179538455842855671773133946977219392908767109281567381754136322044580428682519403677256133882199879830947460483692194894998763763524981416574860775896826 | [
[
5.452583671686471,
0,
0
],
[
0,
5.452583671686471,
0
],
[
0,
0,
35.78333833385482
]
] | [
[
1.3631459179216177,
1.3631459179216177,
15
],
[
4.089437753764853,
1.3631459179216177,
15
],
[
1.3631459179216177,
4.089437753764853,
15
],
[
4.089437753764853,
4.089437753764853,
15
],
[
0,
0,
16.927779444618274
],
[
2.7262918358... | [
true,
true,
true
] | HCu8NOPdPt7 | Cu8HNOPdPt7 | A8B7CDEF | [
"Cu",
"H",
"N",
"O",
"Pd",
"Pt"
] | [
0.42105263157894735,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.3684210526315789
] | [
29,
78,
78,
29,
29,
78,
78,
29,
29,
78,
78,
29,
29,
78,
46,
29,
8,
1,
7
] | 19 | 6 | 0 | [
0,
0,
0
] | [
"tinnet_N_166"
] | null | data/MD/2239/MD_4028144322349616297502239.json | data/MD/5358/MD_4572343490312790379915358.json | null | {"id": "MD_4572343490312790379915358", "hash": "4572343490312790379915358284665407870215288553618648431277277553565050261228791029497820295975012812064387885849587549201102965968856321446840192022822696"} | {"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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