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-5.12017052,
2.21569673
],
[
0.96784395,
1.93289914,
-0.05841534
],
[
-0.56934176,
1.82892111,
-0.92273689
],
[
-0.55459359,
1.91278511,
0.84179923
],
[
-0.99111716,
-0.45287197,
0.03965236
],
[
0.52136232,
-0.43290294,
-0.85499162
],
[
1.79267247,
-0.15188021,
1.28284727
],
[
0.2646701,
-0.17198577,
2.18666078
],
[
2.47807338,
-2.18123671,
2.39994036
],
[
0.95226497,
-2.20209688,
3.30191762
]
] |
[
false,
false,
false
] |
C5H9NO
|
C5H9NO
|
A9B5CD
|
[
"C",
"H",
"N",
"O"
] |
[
0.3125,
0.5625,
0.0625,
0.0625
] |
[
6,
6,
6,
8,
6,
6,
7,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16
| 4
| 0
|
[
0,
0,
0
] |
[
"CHON_1664"
] | null |
data/MD/9866/MD_1050083842533186217009866.json
| null | null | null |
{"method_functional": "LDA_X,LDA_C_PZ_MOD", "hash": "10500838425331862170098664614164960912162757028601741222999727929590984920579409611454311813437634513199841661774951350377800553586872579303826663247208175", "id": "MD_1050083842533186217009866"}
|
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