# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ec26a1db-73bd-4a73-b376-5731c4fd0ec7/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Ab-initio phonon calculation for Y2O3 / C2/m (12) / materials id 558573](https://mdr.nims.go.jp/datasets/df439596-a603-49be-8167-6da2f67fce84)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.914651230000000,    -1.735315940000000,     0.012090065000000 ] # a  - [     6.914651230000000,     1.735315940000000,     0.012090065000000 ] # b  - [    -1.524236780000000,     0.000000000000000,     8.419773690000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.635241680000000,  0.635241680000000,  0.487317110000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.364758320000000,  0.364758320000000,  0.512682890000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.032887510000000,  0.032887510000000,  0.813090140000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.690378540000000,  0.690378540000000,  0.136943650000000 ]    mass: 88.905850  - symbol: Y  # 5    coordinates: [  0.309621460000000,  0.309621460000000,  0.863056350000000 ]    mass: 88.905850  - symbol: Y  # 6    coordinates: [  0.967112490000000,  0.967112490000000,  0.186909860000000 ]    mass: 88.905850  - symbol: O  # 7    coordinates: [  0.128090140000000,  0.128090140000000,  0.282779070000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.825275680000000,  0.825275680000000,  0.029863450000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.793696690000000,  0.793696690000000,  0.376289080000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.471492730000000,  0.471492730000000,  0.343421940000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.528507270000000,  0.528507270000000,  0.656578060000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.174724320000000,  0.174724320000000,  0.970136550000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.206303310000000,  0.206303310000000,  0.623710920000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.871909860000000,  0.871909860000000,  0.717220930000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.072287346113869,    -0.288131969789893,     0.013086222472489 ] # a*  - [     0.072287346113869,     0.288131969789893,     0.013086222472489 ] # b*  - [    -0.000207596722993,    -0.000000000000000,     0.118730456452376 ] # c*unit_cell:  lattice:  - [    13.829302459999999,     0.000000000000000,     0.024180130000000 ] # a  - [     0.000000000000000,     3.470631880000000,     0.000000000000000 ] # b  - [    -1.524236780000000,     0.000000000000000,     8.419773690000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.135241680000000,  0.500000000000000,  0.487317110000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.364758320000000,  0.000000000000000,  0.512682890000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.032887510000000,  0.000000000000000,  0.813090140000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.190378540000000,  0.500000000000000,  0.136943650000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.309621460000000,  0.000000000000000,  0.863056350000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.467112490000000,  0.500000000000000,  0.186909860000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.635241680000000,  0.000000000000000,  0.487317110000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 8    coordinates: [  0.864758320000000,  0.500000000000000,  0.512682890000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 9    coordinates: [  0.532887510000000,  0.500000000000000,  0.813090140000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 10    coordinates: [  0.690378540000000,  0.000000000000000,  0.136943650000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 11    coordinates: [  0.809621460000000,  0.500000000000000,  0.863056350000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 12    coordinates: [  0.967112490000000,  0.000000000000000,  0.186909860000000 ]    mass: 88.905850    reduced_to: 6  - symbol: O  # 13    coordinates: [  0.128090140000000,  0.000000000000000,  0.282779070000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.325275680000000,  0.500000000000000,  0.029863450000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.293696690000000,  0.500000000000000,  0.376289080000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.471492730000000,  0.000000000000000,  0.343421940000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.028507270000000,  0.500000000000000,  0.656578060000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.174724320000000,  0.000000000000000,  0.970136550000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.206303310000000,  0.000000000000000,  0.623710920000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.371909860000000,  0.500000000000000,  0.717220930000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.628090140000000,  0.500000000000000,  0.282779070000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 23    coordinates: [  0.825275680000000,  0.000000000000000,  0.029863450000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 24    coordinates: [  0.793696690000000,  0.000000000000000,  0.376289080000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 25    coordinates: [  0.971492730000000,  0.500000000000000,  0.343421940000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 26    coordinates: [  0.528507270000000,  0.000000000000000,  0.656578060000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 27    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 28    coordinates: [  0.674724320000000,  0.500000000000000,  0.970136550000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 29    coordinates: [  0.706303310000000,  0.500000000000000,  0.623710920000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 30    coordinates: [  0.871909860000000,  0.000000000000000,  0.717220930000000 ]    mass: 15.999400    reduced_to: 21supercell:  lattice:  - [    13.829302459999999,     0.000000000000000,     0.024180130000000 ] # a  - [     0.000000000000000,    10.411895640000001,     0.000000000000000 ] # b  - [    -1.524236780000000,     0.000000000000000,     8.419773690000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.135241680000000,  0.166666666666667,  0.487317110000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.135241680000000,  0.500000000000000,  0.487317110000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 3    coordinates: [  0.135241680000000,  0.833333333333333,  0.487317110000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 4    coordinates: [  0.364758320000000,  0.000000000000000,  0.512682890000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.364758320000000,  0.333333333333333,  0.512682890000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 6    coordinates: [  0.364758320000000,  0.666666666666667,  0.512682890000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 7    coordinates: [  0.032887510000000,  0.000000000000000,  0.813090140000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.032887510000000,  0.333333333333333,  0.813090140000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 9    coordinates: [  0.032887510000000,  0.666666666666667,  0.813090140000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 10    coordinates: [  0.190378540000000,  0.166666666666667,  0.136943650000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 11    coordinates: [  0.190378540000000,  0.500000000000000,  0.136943650000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 12    coordinates: [  0.190378540000000,  0.833333333333333,  0.136943650000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 13    coordinates: [  0.309621460000000,  0.000000000000000,  0.863056350000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 14    coordinates: [  0.309621460000000,  0.333333333333333,  0.863056350000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 15    coordinates: [  0.309621460000000,  0.666666666666667,  0.863056350000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 16    coordinates: [  0.467112490000000,  0.166666666666667,  0.186909860000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 17    coordinates: [  0.467112490000000,  0.500000000000000,  0.186909860000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 18    coordinates: [  0.467112490000000,  0.833333333333333,  0.186909860000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 19    coordinates: [  0.635241680000000,  0.000000000000000,  0.487317110000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 20    coordinates: [  0.635241680000000,  0.333333333333333,  0.487317110000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 21    coordinates: [  0.635241680000000,  0.666666666666667,  0.487317110000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 22    coordinates: [  0.864758320000000,  0.166666666666667,  0.512682890000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 23    coordinates: [  0.864758320000000,  0.500000000000000,  0.512682890000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 24    coordinates: [  0.864758320000000,  0.833333333333333,  0.512682890000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 25    coordinates: [  0.532887510000000,  0.166666666666667,  0.813090140000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 26    coordinates: [  0.532887510000000,  0.500000000000000,  0.813090140000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 27    coordinates: [  0.532887510000000,  0.833333333333333,  0.813090140000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 28    coordinates: [  0.690378540000000,  0.000000000000000,  0.136943650000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 29    coordinates: [  0.690378540000000,  0.333333333333333,  0.136943650000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 30    coordinates: [  0.690378540000000,  0.666666666666667,  0.136943650000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 31    coordinates: [  0.809621460000000,  0.166666666666667,  0.863056350000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 32    coordinates: [  0.809621460000000,  0.500000000000000,  0.863056350000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 33    coordinates: [  0.809621460000000,  0.833333333333333,  0.863056350000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 34    coordinates: [  0.967112490000000,  0.000000000000000,  0.186909860000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 35    coordinates: [  0.967112490000000,  0.333333333333333,  0.186909860000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 36    coordinates: [  0.967112490000000,  0.666666666666667,  0.186909860000000 ]    mass: 88.905850    reduced_to: 16  - symbol: O  # 37    coordinates: [  0.128090140000000,  0.000000000000000,  0.282779070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.128090140000000,  0.333333333333333,  0.282779070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.128090140000000,  0.666666666666667,  0.282779070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.325275680000000,  0.166666666666667,  0.029863450000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.325275680000000,  0.500000000000000,  0.029863450000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 42    coordinates: [  0.325275680000000,  0.833333333333333,  0.029863450000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 43    coordinates: [  0.293696690000000,  0.166666666666667,  0.376289080000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.293696690000000,  0.500000000000000,  0.376289080000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.293696690000000,  0.833333333333333,  0.376289080000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 46    coordinates: [  0.471492730000000,  0.000000000000000,  0.343421940000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.471492730000000,  0.333333333333333,  0.343421940000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 48    coordinates: [  0.471492730000000,  0.666666666666667,  0.343421940000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 49    coordinates: [  0.028507270000000,  0.166666666666667,  0.656578060000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.028507270000000,  0.500000000000000,  0.656578060000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.028507270000000,  0.833333333333333,  0.656578060000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.000000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 54    coordinates: [  0.000000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 55    coordinates: [  0.174724320000000,  0.000000000000000,  0.970136550000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.174724320000000,  0.333333333333333,  0.970136550000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.174724320000000,  0.666666666666667,  0.970136550000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.206303310000000,  0.000000000000000,  0.623710920000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.206303310000000,  0.333333333333333,  0.623710920000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 60    coordinates: [  0.206303310000000,  0.666666666666667,  0.623710920000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 61    coordinates: [  0.371909860000000,  0.166666666666667,  0.717220930000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.371909860000000,  0.500000000000000,  0.717220930000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.371909860000000,  0.833333333333333,  0.717220930000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.628090140000000,  0.166666666666667,  0.282779070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 65    coordinates: [  0.628090140000000,  0.500000000000000,  0.282779070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 66    coordinates: [  0.628090140000000,  0.833333333333333,  0.282779070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 67    coordinates: [  0.825275680000000,  0.000000000000000,  0.029863450000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 68    coordinates: [  0.825275680000000,  0.333333333333333,  0.029863450000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 69    coordinates: [  0.825275680000000,  0.666666666666667,  0.029863450000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 70    coordinates: [  0.793696690000000,  0.000000000000000,  0.376289080000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 71    coordinates: [  0.793696690000000,  0.333333333333333,  0.376289080000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 72    coordinates: [  0.793696690000000,  0.666666666666667,  0.376289080000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 73    coordinates: [  0.971492730000000,  0.166666666666667,  0.343421940000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 74    coordinates: [  0.971492730000000,  0.500000000000000,  0.343421940000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 75    coordinates: [  0.971492730000000,  0.833333333333333,  0.343421940000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 76    coordinates: [  0.528507270000000,  0.000000000000000,  0.656578060000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 77    coordinates: [  0.528507270000000,  0.333333333333333,  0.656578060000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 78    coordinates: [  0.528507270000000,  0.666666666666667,  0.656578060000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 79    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 80    coordinates: [  0.500000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 81    coordinates: [  0.500000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 82    coordinates: [  0.674724320000000,  0.166666666666667,  0.970136550000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 83    coordinates: [  0.674724320000000,  0.500000000000000,  0.970136550000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 84    coordinates: [  0.674724320000000,  0.833333333333333,  0.970136550000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 85    coordinates: [  0.706303310000000,  0.166666666666667,  0.623710920000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 86    coordinates: [  0.706303310000000,  0.500000000000000,  0.623710920000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 87    coordinates: [  0.706303310000000,  0.833333333333333,  0.623710920000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 88    coordinates: [  0.871909860000000,  0.000000000000000,  0.717220930000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 89    coordinates: [  0.871909860000000,  0.333333333333333,  0.717220930000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 90    coordinates: [  0.871909860000000,  0.666666666666667,  0.717220930000000 ]    mass: 15.999400    reduced_to: 61born_effective_charge:- # 1 (Y)  - [  3.655115360000000,  0.000000000000000,  0.042354710000000 ]  - [ -0.000000000000000,  3.765809320000000,  0.000000000000000 ]  - [ -0.001945380000000,  0.000000000000000,  3.721645000000001 ]- # 2 (Y)  - [  3.655115360000000,  0.000000000000000,  0.042354710000000 ]  - [ -0.000000000000000,  3.765809320000000,  0.000000000000000 ]  - [ -0.001945380000000,  0.000000000000000,  3.721645000000001 ]- # 3 (Y)  - [  3.653702870000000,  0.000000000000000,  0.330896300000000 ]  - [ -0.000000000000000,  3.985023240000000,  0.000000000000000 ]  - [  0.327015020000000, -0.000000000000000,  3.721150040000000 ]- # 4 (Y)  - [  3.536119060000000,  0.000000000000000, -0.215665650000000 ]  - [ -0.000000000000000,  3.638611440000000, -0.000000000000000 ]  - [ -0.179203340000000,  0.000000000000000,  3.976470280000000 ]- # 5 (Y)  - [  3.536119060000000,  0.000000000000000, -0.215665650000000 ]  - [ -0.000000000000000,  3.638611440000000, -0.000000000000000 ]  - [ -0.179203340000000,  0.000000000000000,  3.976470280000001 ]- # 6 (Y)  - [  3.653702870000000,  0.000000000000000,  0.330896300000000 ]  - [ -0.000000000000000,  3.985023240000000,  0.000000000000000 ]  - [  0.327015020000000, -0.000000000000000,  3.721150040000001 ]- # 7 (O)  - [ -2.322403250000000, -0.000000000000000, -0.043148080000000 ]  - [  0.000000000000000, -2.685456290000000, -0.000000000000000 ]  - [ -0.006724240000000, -0.000000000000000, -2.489060790000000 ]- # 8 (O)  - [ -2.735326260000000,  0.000000000000000, -0.062422200000000 ]  - [ -0.000000000000000, -2.299047300000000, -0.000000000000000 ]  - [ -0.037188410000000,  0.000000000000000, -2.479111330000000 ]- # 9 (O)  - [ -2.305833130000000, -0.000000000000000, -0.416167030000000 ]  - [  0.000000000000000, -2.464582470000000, -0.000000000000000 ]  - [ -0.452008510000000,  0.000000000000000, -2.654168680000000 ]- # 10 (O)  - [ -2.377751380000000, -0.000000000000000,  0.346638330000000 ]  - [  0.000000000000000, -2.578336700000000,  0.000000000000000 ]  - [  0.304097430000000, -0.000000000000000, -2.539555560000000 ]- # 11 (O)  - [ -2.377751380000000, -0.000000000000000,  0.346638330000000 ]  - [  0.000000000000000, -2.578336700000000,  0.000000000000000 ]  - [  0.304097430000000, -0.000000000000000, -2.539555560000000 ]- # 12 (O)  - [ -2.207246570000000, -0.000000000000000,  0.035027290000000 ]  - [  0.000000000000000, -2.724042480000000,  0.000000000000000 ]  - [  0.091914880000000, -0.000000000000000, -2.514737880000000 ]- # 13 (O)  - [ -2.735326260000000,  0.000000000000000, -0.062422200000000 ]  - [ -0.000000000000000, -2.299047300000000, -0.000000000000000 ]  - [ -0.037188410000000,  0.000000000000000, -2.479111330000000 ]- # 14 (O)  - 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