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structure_output_dict.yml
101 lines (101 loc) · 3.23 KB
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structure_output_dict.yml
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iter:
- Structures/structure_00007.xyz
- Structures/structure_00039.xyz
- Structures/structure_00038.xyz
- Structures/structure_00003.xyz
- Structures/structure_00025.xyz
- Structures/structure_00064.xyz
- Structures/structure_00017.xyz
- Structures/structure_00035.xyz
- Structures/structure_00056.xyz
- Structures/structure_00019.xyz
- Structures/structure_00065.xyz
- Structures/structure_00075.xyz
- Structures/structure_00001.xyz
- Structures/structure_00083.xyz
- Structures/structure_00009.xyz
- Structures/structure_00059.xyz
- Structures/structure_00094.xyz
- Structures/structure_00069.xyz
- Structures/structure_00073.xyz
- Structures/structure_00098.xyz
- Structures/structure_00057.xyz
- Structures/structure_00030.xyz
- Structures/structure_00092.xyz
- Structures/structure_00063.xyz
- Structures/structure_00011.xyz
- Structures/structure_00097.xyz
- Structures/structure_00089.xyz
- Structures/structure_00021.xyz
- Structures/structure_00004.xyz
- Structures/structure_00091.xyz
- Structures/structure_00068.xyz
- Structures/structure_00071.xyz
- Structures/structure_00079.xyz
- Structures/structure_00036.xyz
- Structures/structure_00013.xyz
- Structures/structure_00050.xyz
- Structures/structure_00045.xyz
- Structures/structure_00081.xyz
- Structures/structure_00072.xyz
- Structures/structure_00062.xyz
- Structures/structure_00042.xyz
- Structures/structure_00058.xyz
- Structures/structure_00086.xyz
- Structures/structure_00037.xyz
- Structures/structure_00080.xyz
- Structures/structure_00024.xyz
- Structures/structure_00096.xyz
- Structures/structure_00049.xyz
- Structures/structure_00026.xyz
- Structures/structure_00028.xyz
- Structures/structure_00031.xyz
- Structures/structure_00000.xyz
- Structures/structure_00014.xyz
- Structures/structure_00085.xyz
- Structures/structure_00022.xyz
- Structures/structure_00088.xyz
- Structures/structure_00027.xyz
- Structures/structure_00082.xyz
- Structures/structure_00012.xyz
- Structures/structure_00040.xyz
- Structures/structure_00034.xyz
- Structures/structure_00044.xyz
- Structures/structure_00066.xyz
- Structures/structure_00052.xyz
- Structures/structure_00032.xyz
- Structures/structure_00055.xyz
- Structures/structure_00099.xyz
- Structures/structure_00048.xyz
- Structures/structure_00054.xyz
- Structures/structure_00046.xyz
- Structures/structure_00090.xyz
- Structures/structure_00095.xyz
- Structures/structure_00006.xyz
- Structures/structure_00018.xyz
- Structures/structure_00067.xyz
- Structures/structure_00043.xyz
- Structures/structure_00077.xyz
- Structures/structure_00053.xyz
- Structures/structure_00033.xyz
- Structures/structure_00078.xyz
- Structures/structure_00008.xyz
- Structures/structure_00076.xyz
- Structures/structure_00084.xyz
- Structures/structure_00047.xyz
- Structures/structure_00074.xyz
- Structures/structure_00002.xyz
- Structures/structure_00051.xyz
- Structures/structure_00029.xyz
- Structures/structure_00087.xyz
- Structures/structure_00093.xyz
- Structures/structure_00016.xyz
- Structures/structure_00010.xyz
- Structures/structure_00023.xyz
- Structures/structure_00015.xyz
- Structures/structure_00041.xyz
- Structures/structure_00070.xyz
- Structures/structure_00060.xyz
- Structures/structure_00005.xyz
- Structures/structure_00061.xyz
- Structures/structure_00020.xyz