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-1.8981196,
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0.2975349
],
[
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0.7200686,
-0.0875895
],
[
-0.8232909,
-0.7415924,
0.0401986
],
[
0.3063406,
1.5676397,
0.187... | [
false,
false,
false
] | C7H6O2 | C7H6O2 | A7B6C2 | [
"C",
"H",
"O"
] | [
0.4666666666666667,
0.4,
0.13333333333333333
] | [
1,
8,
8,
6,
6,
6,
6,
6,
6,
1,
1,
1,
1,
6,
1
] | 15 | 3 | 0 | [
0,
0,
0
] | [
"QM-22_Tropolone_691"
] | null | data/MD/0543/MD_1068291463854499856890543.json | null | null | null | {"basis-set": "cc-pVDZ", "property_keys": {"atomic-forces": "no key in file", "energy": "no key in file"}, "hash": "10682914638544998568905430573682550496201809786395318312640066057748234249857079103448448465780604324068764042652904300756679576154026949639183570352601208", "id": "MD_1068291463854499856890543"} |
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