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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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[
true,
true,
true
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Al2Fe14
|
AlFe7
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A7B
|
[
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[
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| 2
| 0
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/8888/MD_1522991289361209353308888.json
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PO_4830736619904365349828123
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| 2025-04-16T21:37:22
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -47,522.888962
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CO_2953014457609810796558385
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[
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true,
true
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Al2Fe14
|
AlFe7
|
A7B
|
[
"Al",
"Fe"
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[
0.125,
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26,
26,
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| 2
| 0
|
[
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[
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] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/1421/MD_5469455542554059942111421.json
| null |
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|
{"input": {"cutoff-energy": {"value": 25, "units": "hartree"}, "k-point": "6x6x6"}, "hash": "2063154923557164655826876220608853591745917367015931511226343520975446289430798387688431811834510879647509745135393760302000623122646265545911386543744485", "id": "MD_2063154923557164655826876"}
|
PO_4842674500957814984034735
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| 2025-04-17T17:56:16
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -34,209.886219
|
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CO_1114164361449669446408958
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[
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
"Al",
"Fe"
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[
0.375,
0.625
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[
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13,
13,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | 16
| 2
| 0
|
[
0,
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0
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[
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"training_set_AlFe_1847",
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] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/1236/MD_5132011191122806885501236.json
| null |
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|
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PO_4861113538317557659162192
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| 2025-04-16T21:04:12
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -44,194.497049
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| null | null | null | null | null | 0.283616
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CO_1194802906541371479570339
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Al3Fe13
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Al3Fe13
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A13B3
|
[
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PO_4865303437620517835298500
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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true
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Al2Fe14
|
AlFe7
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A7B
|
[
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PO_4878524803095398829884724
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_3944225729467009120508295
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[
true,
true,
true
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Al4Fe12
|
AlFe3
|
A3B
|
[
"Al",
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[
0.25,
0.75
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data/MD/6876/MD_2063154923557164655826876.json
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PO_4879943446028225674930526
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1177697132641253946938412
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Al2Fe14
|
AlFe7
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A7B
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[
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data/MD/6876/MD_2063154923557164655826876.json
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AlFe15
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AlFe15
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A15B
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DS_mf8sn11cn6wa_0
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Al8Fe8
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AlFe
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AB
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Al8Fe8
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AlFe
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AB
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/2050/MD_9288019961986701605342050.json
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PO_4894688208671343652787197
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_4958038827999849352361702
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Al5Fe11
|
Al5Fe11
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A11B5
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data/MD/6876/MD_2063154923557164655826876.json
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