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PO_4316403444801889278134524 | 4316403444801889278134524123270680651990430072223689806547110465430611347736002286709389598109270941782965037237942390366538046962989165431772257838617713 | 2025-04-16T18:55:55 | DS_mevqyitwxukc_0 | 1 | VASP | DFT-PBE | -40.886753 | [
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PO_4883480550359100021341488 | 4883480550359100021341488706757262542922346250953746616010824094518685228258594048550928288648277230987055431520409012648941219325612349459913952514952672 | 2025-04-16T20:33:11 | DS_mevqyitwxukc_0 | 1 | VASP | DFT-PBE | -21.894806 | [
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PO_4879727789225774630449488 | 4879727789225774630449488903729351298392686735132849125227847236273249094433294459947885798420738531525268897704102927542784263400403195335687467823981700 | 2025-04-16T16:54:34 | DS_mevqyitwxukc_0 | 1 | VASP | DFT-PBE | -14.896927 | [
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] | true | null | null | null | null | null | 0.853316 | 0.429305 | null | CO_4966835785538649660603608 | 4966835785538649660603608807021495850748920222880546394002849101290201044362366647719651966007823017687553672024007332255500039250802539666573924437308536 | 9775859983389068037555154343706134048991755492456098335701216123971481245295358661534070265032518112863484246238924620244770688275903130698805090762094613 | [
[
4.141857147216797,
-5.518392086029053,
0
],
[
4.141857147216797,
5.518392086029053,
0
],
[
0,
0,
10.414837837219238
]
] | [
[
1.5759869813919067,
-0.8522589802742004,
3.8418970108032227
],
[
1.6770520210266113,
-0.9869430065155029,
9.10934066772461
],
[
3.070451021194458,
1.9829399585723877,
3.9639909267425537
],
[
3.163949966430664,
1.9244190454483032,
9.156000137329102
],
... | [
true,
true,
true
] | Mg16 | Mg | A | [
"Mg"
] | [
1
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"Mg_iter_all_Mg_iter0_950_2_mp-153_elastic_B222_dist03_0_2"
] | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/5514/MD_1209119519999419905375514.json | null | {"materials-project-id": "mp-153", "temperature": 950, "hash": "1209119519999419905375514333903597056865630182007678343752364770915617772949379613131665808009979909554751977662456396873193387402425468814304223645328271", "id": "MD_1209119519999419905375514"} | {"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR... |
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