# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0c9d5738-c51c-427d-a1a7-4ffe53e461c9/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 Y2HgO4 / C2/m (12) / materials id 756103](https://mdr.nims.go.jp/datasets/80542a5c-62ad-410d-99b1-89ffa8581997)

## 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:  - [     6.745804420000000,    -1.794434445000000,    -0.035467060000000 ] # a  - [     6.745804420000000,     1.794434445000000,    -0.035467060000000 ] # b  - [    -5.372707580000000,     0.000000000000000,     8.459200720000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.381147900000000,  0.381147900000000,  0.038514290000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.839281020000000,  0.839281020000000,  0.699616940000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.160718980000000,  0.160718980000000,  0.300383060000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.618852100000000,  0.618852100000000,  0.961485710000000 ]    mass: 88.905850  - symbol: Hg # 5    coordinates: [  0.113023230000000,  0.113023230000000,  0.661526210000000 ]    mass: 200.590000  - symbol: Hg # 6    coordinates: [  0.886976770000000,  0.886976770000000,  0.338473790000000 ]    mass: 200.590000  - symbol: O  # 7    coordinates: [  0.766104590000000,  0.766104590000000,  0.886195230000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.202341720000000,  0.202341720000000,  0.553576310000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.965576460000000,  0.965576460000000,  0.216843740000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.417364150000000,  0.417364150000000,  0.847442590000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.582635850000000,  0.582635850000000,  0.152557410000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.034423540000000,  0.034423540000000,  0.783156260000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.797658280000000,  0.797658280000000,  0.446423690000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.233895410000000,  0.233895410000000,  0.113804770000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.074368483348348,    -0.278639323600367,     0.047233790451868 ] # a*  - [     0.074368483348348,     0.278639323600367,     0.047233790451868 ] # b*  - [     0.000623612454257,     0.000000000000000,     0.118610554421265 ] # c*unit_cell:  lattice:  - [    13.491608840000000,     0.000000000000000,    -0.070934120000000 ] # a  - [     0.000000000000000,     3.588868890000000,     0.000000000000000 ] # b  - [    -5.372707580000000,     0.000000000000000,     8.459200720000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.381147900000000,  0.000000000000000,  0.038514290000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.339281020000000,  0.500000000000000,  0.699616940000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.660718980000000,  0.500000000000000,  0.300383060000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.618852100000000,  0.000000000000000,  0.961485710000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.881147900000000,  0.500000000000000,  0.038514290000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 6    coordinates: [  0.839281020000000,  0.000000000000000,  0.699616940000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 7    coordinates: [  0.160718980000000,  0.000000000000000,  0.300383060000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 8    coordinates: [  0.118852100000000,  0.500000000000000,  0.961485710000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Hg # 9    coordinates: [  0.113023230000000,  0.000000000000000,  0.661526210000000 ]    mass: 200.590000    reduced_to: 9  - symbol: Hg # 10    coordinates: [  0.886976770000000,  0.000000000000000,  0.338473790000000 ]    mass: 200.590000    reduced_to: 10  - symbol: Hg # 11    coordinates: [  0.613023230000000,  0.500000000000000,  0.661526210000000 ]    mass: 200.590000    reduced_to: 9  - symbol: Hg # 12    coordinates: [  0.386976770000000,  0.500000000000000,  0.338473790000000 ]    mass: 200.590000    reduced_to: 10  - symbol: O  # 13    coordinates: [  0.266104590000000,  0.500000000000000,  0.886195230000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.202341720000000,  0.000000000000000,  0.553576310000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.465576460000000,  0.500000000000000,  0.216843740000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.417364150000000,  0.000000000000000,  0.847442590000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.582635850000000,  0.000000000000000,  0.152557410000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.534423540000000,  0.500000000000000,  0.783156260000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.797658280000000,  0.000000000000000,  0.446423690000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.733895410000000,  0.500000000000000,  0.113804770000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.766104590000000,  0.000000000000000,  0.886195230000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 22    coordinates: [  0.702341720000000,  0.500000000000000,  0.553576310000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 23    coordinates: [  0.965576460000000,  0.000000000000000,  0.216843740000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 24    coordinates: [  0.917364150000000,  0.500000000000000,  0.847442590000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 25    coordinates: [  0.082635850000000,  0.500000000000000,  0.152557410000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 26    coordinates: [  0.034423540000000,  0.000000000000000,  0.783156260000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 27    coordinates: [  0.297658280000000,  0.500000000000000,  0.446423690000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 28    coordinates: [  0.233895410000000,  0.000000000000000,  0.113804770000000 ]    mass: 15.999400    reduced_to: 20supercell:  lattice:  - [    13.491608840000000,     0.000000000000000,    -0.070934120000000 ] # a  - [     0.000000000000000,    10.766606670000000,     0.000000000000000 ] # b  - [    -5.372707580000000,     0.000000000000000,     8.459200720000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.381147900000000,  0.000000000000000,  0.038514290000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.381147900000000,  0.333333333333333,  0.038514290000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 3    coordinates: [  0.381147900000000,  0.666666666666667,  0.038514290000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 4    coordinates: [  0.339281020000000,  0.166666666666667,  0.699616940000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.339281020000000,  0.500000000000000,  0.699616940000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 6    coordinates: [  0.339281020000000,  0.833333333333333,  0.699616940000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 7    coordinates: [  0.660718980000000,  0.166666666666667,  0.300383060000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.660718980000000,  0.500000000000000,  0.300383060000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 9    coordinates: [  0.660718980000000,  0.833333333333333,  0.300383060000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 10    coordinates: [  0.618852100000000,  0.000000000000000,  0.961485710000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 11    coordinates: [  0.618852100000000,  0.333333333333333,  0.961485710000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 12    coordinates: [  0.618852100000000,  0.666666666666667,  0.961485710000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 13    coordinates: [  0.881147900000000,  0.166666666666667,  0.038514290000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 14    coordinates: [  0.881147900000000,  0.500000000000000,  0.038514290000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 15    coordinates: [  0.881147900000000,  0.833333333333333,  0.038514290000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 16    coordinates: [  0.839281020000000,  0.000000000000000,  0.699616940000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 17    coordinates: [  0.839281020000000,  0.333333333333333,  0.699616940000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 18    coordinates: [  0.839281020000000,  0.666666666666667,  0.699616940000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 19    coordinates: [  0.160718980000000,  0.000000000000000,  0.300383060000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 20    coordinates: [  0.160718980000000,  0.333333333333333,  0.300383060000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 21    coordinates: [  0.160718980000000,  0.666666666666667,  0.300383060000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 22    coordinates: [  0.118852100000000,  0.166666666666667,  0.961485710000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 23    coordinates: [  0.118852100000000,  0.500000000000000,  0.961485710000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 24    coordinates: [  0.118852100000000,  0.833333333333333,  0.961485710000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Hg # 25    coordinates: [  0.113023230000000,  0.000000000000000,  0.661526210000000 ]    mass: 200.590000    reduced_to: 25  - symbol: Hg # 26    coordinates: [  0.113023230000000,  0.333333333333333,  0.661526210000000 ]    mass: 200.590000    reduced_to: 25  - symbol: Hg # 27    coordinates: [  0.113023230000000,  0.666666666666667,  0.661526210000000 ]    mass: 200.590000    reduced_to: 25  - symbol: Hg # 28    coordinates: [  0.886976770000000,  0.000000000000000,  0.338473790000000 ]    mass: 200.590000    reduced_to: 28  - symbol: Hg # 29    coordinates: [  0.886976770000000,  0.333333333333333,  0.338473790000000 ]    mass: 200.590000    reduced_to: 28  - symbol: Hg # 30    coordinates: [  0.886976770000000,  0.666666666666667,  0.338473790000000 ]    mass: 200.590000    reduced_to: 28  - symbol: Hg # 31    coordinates: [  0.613023230000000,  0.166666666666667,  0.661526210000000 ]    mass: 200.590000    reduced_to: 25  - symbol: Hg # 32    coordinates: [  0.613023230000000,  0.500000000000000,  0.661526210000000 ]    mass: 200.590000    reduced_to: 25  - symbol: Hg # 33    coordinates: [  0.613023230000000,  0.833333333333333,  0.661526210000000 ]    mass: 200.590000    reduced_to: 25  - symbol: Hg # 34    coordinates: [  0.386976770000000,  0.166666666666667,  0.338473790000000 ]    mass: 200.590000    reduced_to: 28  - symbol: Hg # 35    coordinates: [  0.386976770000000,  0.500000000000000,  0.338473790000000 ]    mass: 200.590000    reduced_to: 28  - symbol: Hg # 36    coordinates: [  0.386976770000000,  0.833333333333333,  0.338473790000000 ]    mass: 200.590000    reduced_to: 28  - symbol: O  # 37    coordinates: [  0.266104590000000,  0.166666666666667,  0.886195230000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.266104590000000,  0.500000000000000,  0.886195230000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.266104590000000,  0.833333333333333,  0.886195230000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.202341720000000,  0.000000000000000,  0.553576310000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.202341720000000,  0.333333333333333,  0.553576310000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 42    coordinates: [  0.202341720000000,  0.666666666666667,  0.553576310000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 43    coordinates: [  0.465576460000000,  0.166666666666667,  0.216843740000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.465576460000000,  0.500000000000000,  0.216843740000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.465576460000000,  0.833333333333333,  0.216843740000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 46    coordinates: [  0.417364150000000,  0.000000000000000,  0.847442590000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.417364150000000,  0.333333333333333,  0.847442590000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 48    coordinates: [  0.417364150000000,  0.666666666666667,  0.847442590000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 49    coordinates: [  0.582635850000000,  0.000000000000000,  0.152557410000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.582635850000000,  0.333333333333333,  0.152557410000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.582635850000000,  0.666666666666667,  0.152557410000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.534423540000000,  0.166666666666667,  0.783156260000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.534423540000000,  0.500000000000000,  0.783156260000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 54    coordinates: [  0.534423540000000,  0.833333333333333,  0.783156260000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 55    coordinates: [  0.797658280000000,  0.000000000000000,  0.446423690000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.797658280000000,  0.333333333333333,  0.446423690000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.797658280000000,  0.666666666666667,  0.446423690000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.733895410000000,  0.166666666666667,  0.113804770000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.733895410000000,  0.500000000000000,  0.113804770000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 60    coordinates: [  0.733895410000000,  0.833333333333333,  0.113804770000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 61    coordinates: [  0.766104590000000,  0.000000000000000,  0.886195230000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.766104590000000,  0.333333333333333,  0.886195230000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 63    coordinates: [  0.766104590000000,  0.666666666666667,  0.886195230000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 64    coordinates: [  0.702341720000000,  0.166666666666667,  0.553576310000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.702341720000000,  0.500000000000000,  0.553576310000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 66    coordinates: [  0.702341720000000,  0.833333333333333,  0.553576310000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 67    coordinates: [  0.965576460000000,  0.000000000000000,  0.216843740000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.965576460000000,  0.333333333333333,  0.216843740000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 69    coordinates: [  0.965576460000000,  0.666666666666667,  0.216843740000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 70    coordinates: [  0.917364150000000,  0.166666666666667,  0.847442590000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.917364150000000,  0.500000000000000,  0.847442590000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 72    coordinates: [  0.917364150000000,  0.833333333333333,  0.847442590000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 73    coordinates: [  0.082635850000000,  0.166666666666667,  0.152557410000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.082635850000000,  0.500000000000000,  0.152557410000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 75    coordinates: [  0.082635850000000,  0.833333333333333,  0.152557410000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 76    coordinates: [  0.034423540000000,  0.000000000000000,  0.783156260000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.034423540000000,  0.333333333333333,  0.783156260000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 78    coordinates: [  0.034423540000000,  0.666666666666667,  0.783156260000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 79    coordinates: [  0.297658280000000,  0.166666666666667,  0.446423690000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.297658280000000,  0.500000000000000,  0.446423690000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 81    coordinates: [  0.297658280000000,  0.833333333333333,  0.446423690000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 82    coordinates: [  0.233895410000000,  0.000000000000000,  0.113804770000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 83    coordinates: [  0.233895410000000,  0.333333333333333,  0.113804770000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 84    coordinates: [  0.233895410000000,  0.666666666666667,  0.113804770000000 ]    mass: 15.999400    reduced_to: 58born_effective_charge:- # 1 (Y)  - [  3.656521230000000, -0.000000000000000, -0.333954550000000 ]  - [ -0.000000000000000,  3.669551930000000, -0.000000000000000 ]  - [  0.085864840000000, -0.000000000000000,  4.015793050000000 ]- # 2 (Y)  - [  3.890538930000000,  0.000000000000000,  0.077879840000000 ]  - [ -0.000000000000000,  4.018653990000000,  0.000000000000000 ]  - [ -0.177814340000000,  0.000000000000000,  3.636130170000000 ]- # 3 (Y)  - [  3.890538930000000,  0.000000000000000,  0.077879840000000 ]  - [ -0.000000000000000,  4.018653990000000,  0.000000000000000 ]  - [ -0.177814340000000,  0.000000000000000,  3.636130170000000 ]- # 4 (Y)  - [  3.656521230000000, -0.000000000000000, -0.333954550000000 ]  - [ -0.000000000000000,  3.669551930000001, -0.000000000000000 ]  - [  0.085864840000000, -0.000000000000000,  4.015793050000000 ]- # 5 (Hg)  - [  2.250921810000000, -0.000000000000000, -0.513802520000000 ]  - [  0.000000000000000,  0.973430320000000, -0.000000000000000 ]  - [ -0.548614170000000,  0.000000000000000,  1.793205860000000 ]- # 6 (Hg)  - [  2.250921810000000, -0.000000000000000, -0.513802520000000 ]  - [  0.000000000000000,  0.973430320000000, -0.000000000000000 ]  - [ -0.548614170000000,  0.000000000000000,  1.793205860000000 ]- # 7 (O)  - [ -2.354768780000000, -0.000000000000000,  0.020572750000000 ]  - [  0.000000000000000, -2.781248340000000,  0.000000000000000 ]  - [ -0.023679520000000,  0.000000000000000, -2.606098680000000 ]- # 8 (O)  - [ -2.381223800000000,  0.000000000000000,  0.491584310000000 ]  - [ -0.000000000000000, -1.586851420000000,  0.000000000000000 ]  - [  0.425989390000000, -0.000000000000000, -2.349193040000000 ]- # 9 (O)  - [ -2.420792910000000,  0.000000000000000,  0.174370860000000 ]  - [ -0.000000000000000, -1.657512300000000,  0.000000000000000 ]  - [  0.221713360000000, -0.000000000000000, -2.110972810000000 ]- # 10 (O)  - [ -2.641196490000000,  0.000000000000000,  0.083349290000000 ]  - [ -0.000000000000000, -2.636024180000000,  0.000000000000000 ]  - [  0.016540460000000, -0.000000000000000, -2.378864540000000 ]- # 11 (O)  - [ -2.641196490000000,  0.000000000000000,  0.083349290000000 ]  - [ -0.000000000000000, -2.636024180000000,  0.000000000000000 ]  - [  0.016540460000000, -0.000000000000000, -2.378864540000000 ]- # 12 (O)  - [ -2.420792910000000,  0.000000000000000,  0.174370860000000 ]  - [ -0.000000000000000, -1.657512300000000,  0.000000000000000 ]  - [  0.221713360000000, -0.000000000000000, -2.110972810000000 ]- # 13 (O)  - [ -2.381223800000000,  0.000000000000000,  0.491584310000000 ]  - [ -0.000000000000000, -1.586851420000000,  0.000000000000000 ]  - [  0.425989390000000, -0.000000000000000, -2.349193040000000 ]- # 14 (O)  - [ -2.354768780000000, -0.000000000000000,  0.020572750000000 ]  - [  0.000000000000000, -2.781248340000000,  0.000000000000000 ]  - 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