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"N"
] |
[
0.5,
0.4166666666666667,
0.08333333333333333
] |
[
6,
6,
6,
6,
6,
6,
1,
1,
1,
1,
1,
6,
6,
6,
6,
1,
6,
1,
6,
1,
1,
1,
7,
7
] | 24
| 3
| 0
|
[
0,
0,
0
] |
[
"xxMD-CASSCF_azobenzene_val_state2_1278",
"xxMD-CASSCF_azobenzene_val_state1_1278",
"xxMD-CASSCF_azobenzene_val_state0_1278",
"xxMD-DFT_azobenzene_val_1278"
] | null |
data/MD/6824/MD_7818358640943527974746824.json
| null | null | null |
{"basis-set": "6-31g", "hash": "7818358640943527974746824931004994267676097579572895711517924332456265853833149978407537042355021055785074519832252837149792691338967266241820231054880448", "id": "MD_7818358640943527974746824"}
|
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