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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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| 2025-04-16T21:23:51
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DS_aaocsvp2x40m_0
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VASP
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Ti32
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Ti
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A
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DS_aaocsvp2x40m_0
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VASP
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T18:31:06
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DS_aaocsvp2x40m_0
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VASP
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DFT-PBE
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CO_1087762450275092516355820
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Ti16
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A
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1052060991564079320430716
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| 2025-04-16T17:32:46
|
DS_aaocsvp2x40m_0
| 1
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VASP
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DFT-PBE
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CO_1300018629312971622042750
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Ti16
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Ti
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A
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PO_1052007851547343566461598
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| 2025-04-16T15:42:59
|
DS_aaocsvp2x40m_0
| 1
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VASP
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DFT-PBE
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Ti32
|
Ti
|
A
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1052093069782254767830469
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| 2025-04-16T15:23:03
|
DS_aaocsvp2x40m_0
| 1
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VASP
|
DFT-PBE
| -124.408249
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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Ti32
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Ti
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A
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DS_aaocsvp2x40m_0
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PO_4525593984753518817300174
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DS_aaocsvp2x40m_0
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PO_4552689608709432917547665
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DS_aaocsvp2x40m_0
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VASP
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PO_4547561870521963113840131
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DS_aaocsvp2x40m_0
| 1
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VASP
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DFT-PBE
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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Ti8
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A
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PO_4565185990117641330272274
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| 2025-04-16T20:33:59
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DS_aaocsvp2x40m_0
| 1
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VASP
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Ti16
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Ti
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A
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PO_4574878899571318698183825
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| 2025-04-16T16:07:46
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DS_aaocsvp2x40m_0
| 1
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VASP
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DFT-PBE
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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VASP
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PO_4566699720058809317476520
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DS_aaocsvp2x40m_0
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VASP
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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Ti32
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DS_aaocsvp2x40m_0
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VASP
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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Ti32
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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| 2025-04-16T18:36:58
|
DS_aaocsvp2x40m_0
| 1
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VASP
|
DFT-PBE
| -114.572006
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CO_1156991444468203857986833
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Ti16
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Ti
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A
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1
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| 1
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1017959832827021370100561
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| 2025-04-16T21:51:00
|
DS_aaocsvp2x40m_0
| 1
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VASP
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DFT-PBE
| -238.879196
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| null | null | null | null | null | 3.378853
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CO_1420691530618408777236279
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Ti32
|
Ti
|
A
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1057847389079167738770737
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| 2025-04-16T21:51:46
|
DS_aaocsvp2x40m_0
| 1
|
VASP
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DFT-PBE
| -59.259365
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| null | null | null | null | null | 0.57265
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CO_5949808053379398491128379
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Ti8
|
Ti
|
A
|
[
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[
1
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[
22,
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| 1
| 0
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[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1057872044331003100491175
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| 2025-04-16T16:51:20
|
DS_aaocsvp2x40m_0
| 1
|
VASP
|
DFT-PBE
| -226.618835
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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DS_aaocsvp2x40m_0
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[
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true
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Ti16
|
Ti
|
A
|
[
"Ti"
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[
1
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| 1
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|
[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1056345284933737371333589
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| 2025-04-16T21:21:56
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DS_aaocsvp2x40m_0
| 1
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VASP
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DFT-PBE
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| null | null | null | null | null | 0.19468
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CO_5308311594276357085982413
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Ti24
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Ti
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A
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[
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1
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1056306146653256353751046
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| 2025-04-16T16:55:31
|
DS_aaocsvp2x40m_0
| 1
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VASP
|
DFT-PBE
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| null | null | null | null | null | 4.627767
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CO_3229319777079336686692160
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[
true,
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true
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Ti32
|
Ti
|
A
|
[
"Ti"
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[
1
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[
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] | 32
| 1
| 0
|
[
0,
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0
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[
"dp_gen"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
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