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| 2025-04-16T18:12:11
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DS_h1i3plesx7bc_0
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VASP
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data/MD/0701/MD_1008852501574301458540701.json
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{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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| 2025-04-16T21:27:46
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DS_h1i3plesx7bc_0
| 1
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1002019166270630472188025
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| 2025-04-16T17:45:47
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
|
Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1002230379858942714271266
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| 2025-04-17T18:37:27
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn32
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A
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-16T17:31:20
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DS_h1i3plesx7bc_0
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VASP
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Sn16
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_1002114047780146986006619
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| 2025-04-16T16:33:13
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1002107897091857414006249
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| 2025-04-16T21:28:46
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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DS_h1i3plesx7bc_0
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PO_1002430335914673414163256
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DS_h1i3plesx7bc_0
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PO_1001095747946396318565703
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DS_h1i3plesx7bc_0
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Sn32
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Sn
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A
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[
true,
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true
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Sn32
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Sn
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A
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[
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1
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0
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[
"Sn32_set.000_1363"
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1001578935630058995706307
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| 2025-04-16T15:43:19
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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CO_6432963377117619189432459
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Sn16
|
Sn
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A
|
[
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[
1
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| 0
|
[
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0,
0
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[
"Sn16_set.000_1078"
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4921981027635163903281382
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| 2025-04-16T21:12:08
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
| -569.312134
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CO_4032808807633242399652625
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[
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true
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Sn16
|
Sn
|
A
|
[
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[
1
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_4938246483467721681855002
|
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| 2025-04-16T20:47:27
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -566.549194
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| null | null | null | null | null | 1.838709
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CO_1238150103885202142908023
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[
true,
true,
true
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Sn16
|
Sn
|
A
|
[
"Sn"
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[
1
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[
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50,
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] | 16
| 1
| 0
|
[
0,
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0
] |
[
"Sn16_set.000_2563"
] | null |
data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_4916070750731872583341468
|
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| 2025-04-16T21:51:46
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -285.558533
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DS_h1i3plesx7bc_0
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| 2025-04-16T16:07:38
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DS_h1i3plesx7bc_0
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Sn32
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-16T21:21:56
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-16T21:37:22
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DS_h1i3plesx7bc_0
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VASP
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Sn
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-16T15:46:01
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
|
Sn
|
A
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[
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1003030755236872599466230
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| 2025-04-16T17:44:53
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
| -279.217957
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CO_1095757836452956209144256
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[
true,
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Sn8
|
Sn
|
A
|
[
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[
1
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[
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50,
50,
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| 1
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_1003044983038427097776244
|
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| 2025-04-16T21:09:01
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -1,133.915039
|
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Sn32
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A
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-16T16:06:55
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DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
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Sn
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_4934506313893537121282687
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| 2025-04-16T18:54:58
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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true
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Sn16
|
Sn
|
A
|
[
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[
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| 1
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4931994696214857126798864
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| 2025-04-16T20:33:21
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -1,129.069458
|
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DS_h1i3plesx7bc_0
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DS_h1i3plesx7bc_0
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Sn8
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Sn
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A
|
[
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[
1
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| 1
| 0
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[
0,
0,
0
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[
"Sn8_set.000_1654"
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_1004526800573232406747661
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| 2025-04-16T16:06:55
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
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Sn
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A
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[
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[
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_1004655581795468587742954
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| 2025-04-16T18:59:47
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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CO_4530175180943548856142399
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[
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Sn16
|
Sn
|
A
|
[
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[
1
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| 1
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[
0,
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1004817368807251954315914
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| 2025-04-16T16:46:19
|
DS_h1i3plesx7bc_0
| 1
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VASP
|
DFT-SCAN
| -539.022888
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CO_9118637436193711446809463
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[
true,
true,
true
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Sn16
|
Sn
|
A
|
[
"Sn"
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[
1
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[
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50,
50,
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_1005058988828771145802485
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| 2025-04-17T18:37:27
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -568.251221
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Sn16
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Sn
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1005321853511706754535435
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| 2025-04-16T17:08:48
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DS_h1i3plesx7bc_0
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VASP
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Sn8
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_1005645471798362109998991
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| 2025-04-16T21:29:37
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DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
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Sn
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_1003334745380303351141524
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| 2025-04-16T16:04:50
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
| -568.133179
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CO_3008077235504433125807750
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Sn16
|
Sn
|
A
|
[
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[
1
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1003409003873936412300281
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| 2025-04-16T20:15:53
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
| -567.094238
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Sn16
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-17T17:45:49
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DS_h1i3plesx7bc_0
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Sn32
|
Sn
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A
|
[
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_1003493173531994513858292
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| 2025-04-16T20:58:52
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
|
Sn
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A
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[
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| 1
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_1004144426742733825905354
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| 2025-04-16T19:03:17
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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CO_8121779200952036307740017
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Sn8
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Sn
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A
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1
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| 0
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[
0,
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4946868510435418079253165
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| 2025-04-16T16:29:35
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
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Sn
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A
|
[
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1
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| 1
| 0
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[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4950478359588630045957978
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| 2025-04-16T17:52:43
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
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Sn
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A
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[
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50,
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4950954502801005585189042
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| 2025-04-16T17:36:02
|
DS_h1i3plesx7bc_0
| 1
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VASP
|
DFT-SCAN
| -548.462891
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CO_7769045036159031793823793
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[
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Sn16
|
Sn
|
A
|
[
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[
1
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4964418790325043618248789
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| 2025-04-16T16:09:54
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -555.460266
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CO_1143189928782453631896122
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Sn16
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Sn
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
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PO_4968976525199061270229430
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| 2025-04-16T17:47:41
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DS_h1i3plesx7bc_0
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VASP
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Sn8
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A
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_4968502794090604795002864
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| 2025-04-16T20:10:51
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
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PO_4941428746355167884346804
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| 2025-04-16T15:14:03
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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[
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Sn32
|
Sn
|
A
|
[
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_4943058877438174412788664
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| 2025-04-17T18:48:22
|
DS_h1i3plesx7bc_0
| 1
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VASP
|
DFT-SCAN
| -569.093689
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A
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-17T17:45:49
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DS_h1i3plesx7bc_0
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VASP
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Sn16
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1005697029786036560308694
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| 2025-04-16T17:18:25
|
DS_h1i3plesx7bc_0
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VASP
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DFT-SCAN
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Sn8
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Sn
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1005664487088271505484132
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| 2025-04-16T16:07:44
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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CO_9265565893013671568529432
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[
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Sn16
|
Sn
|
A
|
[
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_1005860224773337385316875
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| 2025-04-16T18:09:29
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -1,111.118774
|
[
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Sn32
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A
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-16T20:14:25
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DS_h1i3plesx7bc_0
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VASP
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DFT-SCAN
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Sn16
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1006065554915833572417411
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| 2025-04-16T18:08:39
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
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Sn
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A
|
[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1006313638420513241924484
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| 2025-04-16T16:50:04
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_1006480133932250098022482
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| 2025-04-16T17:31:19
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DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
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A
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data/MD/0701/MD_1008852501574301458540701.json
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PO_4967270623290490106678769
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| 2025-04-16T16:50:04
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_4961852174625921251838822
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| 2025-04-16T18:39:28
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4975656916974326619993718
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| 2025-04-16T17:10:46
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-16T21:43:25
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DS_h1i3plesx7bc_0
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Sn32
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-16T21:51:00
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DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1006531905962484077188239
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| 2025-04-16T17:07:30
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DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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DS_h1i3plesx7bc_0
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DS_h1i3plesx7bc_0
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| 2025-04-16T18:54:39
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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CO_1265786331996288230236513
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Sn16
|
Sn
|
A
|
[
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[
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| 1
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[
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1006702020422142562861370
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| 2025-04-16T18:43:29
|
DS_h1i3plesx7bc_0
| 1
|
VASP
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DFT-SCAN
| -565.353577
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CO_2325084709978725912011045
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Sn16
|
Sn
|
A
|
[
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[
1
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50,
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| 1
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[
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0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1006802601933834457527085
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| 2025-04-16T16:07:22
|
DS_h1i3plesx7bc_0
| 1
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VASP
|
DFT-SCAN
| -569.911865
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| null | null | null | null | null | 1.873911
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CO_9971669477407887642497762
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[
true,
true,
true
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Sn16
|
Sn
|
A
|
[
"Sn"
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[
1
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| 1
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|
[
0,
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1006886221058469914477710
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| 2025-04-16T18:29:07
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -570.02594
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CO_7448614693366257414535624
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Sn16
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Sn
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A
|
[
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[
1
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50,
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| 0
|
[
0,
0,
0
] |
[
"Sn16_set.000_961"
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1007043895952818617067000
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| 2025-04-16T20:14:25
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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CO_5968346950298132118961100
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Sn16
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Sn
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A
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[
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1
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1007499466623182001784047
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| 2025-04-16T17:08:25
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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CO_1241952650120707029744615
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[
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true,
true
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Sn16
|
Sn
|
A
|
[
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[
1
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50,
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50,
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50,
50,
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_1008346392861397496354608
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| 2025-04-16T20:21:52
|
DS_h1i3plesx7bc_0
| 1
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VASP
|
DFT-SCAN
| -284.267426
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CO_1293091449151410081282257
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[
true,
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true
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Sn8
|
Sn
|
A
|
[
"Sn"
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[
1
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[
50,
50,
50,
50,
50,
50,
50,
50
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_1008471843457592170900180
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| 2025-04-16T17:27:48
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -279.243561
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| null | null | null | null | null | 0.903563
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CO_1069382867869882027632244
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Sn8
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Sn
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A
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1
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| 0
|
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1008706678169418439108954
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| 2025-04-16T21:21:56
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn16
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Sn
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A
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0
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[
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1009044167952195994463527
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| 2025-04-16T21:12:08
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DS_h1i3plesx7bc_0
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VASP
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Sn32
|
Sn
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1008086569775178276306890
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| 2025-04-16T15:45:17
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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[
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Sn32
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Sn
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A
|
[
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[
1
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| 0
|
[
0,
0,
0
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[
"Sn32_set.000_224"
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1008113010359522348889405
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| 2025-04-16T17:19:02
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
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Sn
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A
|
[
"Sn"
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[
1
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[
50,
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| 0
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[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_1009189061359409899639655
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| 2025-04-16T19:00:21
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -531.176575
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[
true,
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true
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Sn16
|
Sn
|
A
|
[
"Sn"
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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/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_1009184481721819053983055
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| 2025-04-16T15:44:05
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -563.009033
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CO_4128668434378071515871290
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[
true,
true,
true
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Sn16
|
Sn
|
A
|
[
"Sn"
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[
1
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[
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50,
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50,
50,
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] | 16
| 1
| 0
|
[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_1009123843874508425499539
|
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| 2025-04-16T21:21:56
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -278.180634
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| null | null | null | null | null | 1.232483
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CO_7221841826681772627910101
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Sn8
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A
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1009168532937333733269570
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| 2025-04-16T16:28:13
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DS_h1i3plesx7bc_0
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VASP
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Sn16
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1009601224067060280914283
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| 2025-04-16T21:27:46
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DS_h1i3plesx7bc_0
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VASP
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DFT-SCAN
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Sn16
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data/MD/0701/MD_1008852501574301458540701.json
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PO_1009802140656947265884996
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| 2025-04-16T18:55:55
|
DS_h1i3plesx7bc_0
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VASP
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DFT-SCAN
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DS_h1i3plesx7bc_0
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DS_h1i3plesx7bc_0
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| 2025-04-16T21:51:46
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DS_h1i3plesx7bc_0
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Sn32
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Sn
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A
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
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PO_4976894197893571247438884
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| 2025-04-16T21:22:14
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DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
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Sn
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A
|
[
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1
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4983412238457971291050449
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| 2025-04-16T20:31:48
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
|
Sn
|
A
|
[
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[
1
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[
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50,
50,
50
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4974956663177341881326853
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| 2025-04-16T16:05:15
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -284.559479
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CO_3462222010893761165920126
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Sn8
|
Sn
|
A
|
[
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[
1
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[
50,
50,
50,
50,
50,
50,
50,
50
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_4984892568262418426432088
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| 2025-04-16T17:44:01
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -554.743713
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Sn16
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Sn
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A
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4977783118693838850543415
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| 2025-04-16T18:40:27
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DS_h1i3plesx7bc_0
| 1
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VASP
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Sn8
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A
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data/MD/0701/MD_1008852501574301458540701.json
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PO_4995978112524315165184786
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| 2025-04-16T17:29:12
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DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn32
|
Sn
|
A
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[
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[
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[
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data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
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PO_4992620350403357369537003
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| 2025-04-16T17:58:31
|
DS_h1i3plesx7bc_0
| 1
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VASP
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DFT-SCAN
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Sn8
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Sn
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A
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1
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data/MD/0701/MD_1008852501574301458540701.json
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DS_h1i3plesx7bc_0
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data/MD/0701/MD_1008852501574301458540701.json
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DS_h1i3plesx7bc_0
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data/MD/0701/MD_1008852501574301458540701.json
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| 2025-04-16T21:37:17
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DS_h1i3plesx7bc_0
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VASP
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DS_h1i3plesx7bc_0
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|
[
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[
3.40556001663208,
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] |
[
true,
true,
true
] |
Sn8
|
Sn
|
A
|
[
"Sn"
] |
[
1
] |
[
50,
50,
50,
50,
50,
50,
50,
50
] | 8
| 1
| 0
|
[
0,
0,
0
] |
[
"Sn8_set.000_59"
] | null |
data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_4982433333740159842029797
|
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| 2025-04-16T21:30:02
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -570.199768
|
[
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| null | null | null | null | null | 2.05356
| 0.884106
| null |
CO_2540373225547305057171285
|
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[
true,
true,
true
] |
Sn16
|
Sn
|
A
|
[
"Sn"
] |
[
1
] |
[
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | 16
| 1
| 0
|
[
0,
0,
0
] |
[
"Sn16_set.000_1103"
] | null |
data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
PO_4990286989073387801969959
|
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| 2025-04-16T16:28:49
|
DS_h1i3plesx7bc_0
| 1
|
VASP
|
DFT-SCAN
| -536.432068
|
[
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0.08632999658584595,
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[
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[
-1.0067527294158936,
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183.41482543945312
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] | true
| null | null | null | null | null | 0.256586
| 0.1525
| null |
CO_5063139457922979647650569
|
5063139457922979647650569968981443830227477079621924722662280310057015487909851513051250888021209114536259103359409148680105157717047346209269156245405914
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3.2131099700927734,
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[
4.811890125274658,
5.244060039520264,
4.159910202026367
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] |
[
true,
true,
true
] |
Sn16
|
Sn
|
A
|
[
"Sn"
] |
[
1
] |
[
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | 16
| 1
| 0
|
[
0,
0,
0
] |
[
"Sn16_set.000_562"
] | null |
data/MD/0701/MD_1008852501574301458540701.json
| null | null | null |
{"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1008852501574301458540701"}
|
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