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PO_1000856120465708860031517
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DS_4pbhjtu62o2d_0
| 1
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CP2K
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DFT
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CHCu48O2
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CCu48HO2
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A48B2CD
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data/MD/6274/MD_1060951061179882761326274.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.25, "units": "Ang^-1"}, "sigma": 0.1}, "hash": "10609510611798827613262749646783052314597279521892350886113335728537295141097890552914793585367510641419848819517431505173450631863628228664985904918244132", "id": "MD_1060951061179882761326274"}
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PO_1000850759736014046710023
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| 2025-04-16T17:07:04
|
DS_4pbhjtu62o2d_0
| 1
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VASP
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DFT-PBE
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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VASP
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DFT-PBE
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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VASP
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DFT-PBE
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data/MD/6274/MD_1060951061179882761326274.json
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PO_1001284343316996210384915
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| 2025-04-16T21:57:13
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DS_4pbhjtu62o2d_0
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VASP
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DFT-PBE
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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data/MD/6274/MD_1060951061179882761326274.json
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{"input": {"encut": {"value": 520, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.25, "units": "Ang^-1"}, "sigma": 0.1}, "hash": "10609510611798827613262749646783052314597279521892350886113335728537295141097890552914793585367510641419848819517431505173450631863628228664985904918244132", "id": "MD_1060951061179882761326274"}
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PO_1001901391610134074861515
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DS_4pbhjtu62o2d_0
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VASP
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DFT-PBE
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DS_4pbhjtu62o2d_0
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DS_4pbhjtu62o2d_0
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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VASP
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DFT-PBE
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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DS_4pbhjtu62o2d_0
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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DS_4pbhjtu62o2d_0
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data/MD/6274/MD_1060951061179882761326274.json
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PO_1002338831771435926433050
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| 2025-04-16T15:43:44
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DS_4pbhjtu62o2d_0
| 1
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VASP
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DFT-PBE
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DS_4pbhjtu62o2d_0
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DS_4pbhjtu62o2d_0
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A7B4C2
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[
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data/MD/6274/MD_1060951061179882761326274.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.25, "units": "Ang^-1"}, "sigma": 0.1}, "hash": "10609510611798827613262749646783052314597279521892350886113335728537295141097890552914793585367510641419848819517431505173450631863628228664985904918244132", "id": "MD_1060951061179882761326274"}
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PO_1002674248061920625067320
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| 2025-04-16T21:30:02
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DS_4pbhjtu62o2d_0
| 1
|
VASP
|
DFT-PBE
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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VASP
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DFT-PBE
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DS_4pbhjtu62o2d_0
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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VASP
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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VASP
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DFT-PBE
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data/MD/6274/MD_1060951061179882761326274.json
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DS_4pbhjtu62o2d_0
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VASP
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DFT-PBE
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[
true,
true,
true
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Li64O112P32
|
Li4O7P2
|
A7B4C2
|
[
"Li",
"O",
"P"
] |
[
0.3076923076923077,
0.5384615384615384,
0.15384615384615385
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[
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data/MD/6274/MD_1060951061179882761326274.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.25, "units": "Ang^-1"}, "sigma": 0.1}, "hash": "10609510611798827613262749646783052314597279521892350886113335728537295141097890552914793585367510641419848819517431505173450631863628228664985904918244132", "id": "MD_1060951061179882761326274"}
|
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