# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0bc2fa75-06fc-4dfb-b990-77f64a6c9337/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 La2O3 / C2/m (12) / materials id 557691](https://mdr.nims.go.jp/datasets/a5dac5ea-e223-4283-a00e-9bc8a24efbdf)

## 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:  - [     6.916007195000000,    -1.952404955000000,    -0.162440320000000 ] # a  - [     6.916007195000000,     1.952404955000000,    -0.162440320000000 ] # b  - [    -1.751418680000000,     0.000000000000000,     8.893955490000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.307106320000000,  0.307106320000000,  0.359553710000000 ]    mass: 138.905470  - symbol: La # 2    coordinates: [  0.640437220000000,  0.640437220000000,  0.026208740000000 ]    mass: 138.905470  - symbol: La # 3    coordinates: [  0.692893680000000,  0.692893680000000,  0.640446290000000 ]    mass: 138.905470  - symbol: La # 4    coordinates: [  0.026226730000000,  0.026226730000000,  0.307112230000000 ]    mass: 138.905470  - symbol: La # 5    coordinates: [  0.359562780000000,  0.359562780000000,  0.973791260000000 ]    mass: 138.905470  - symbol: La # 6    coordinates: [  0.973773270000000,  0.973773270000000,  0.692887770000000 ]    mass: 138.905470  - symbol: O  # 7    coordinates: [  0.159797910000000,  0.159797910000000,  0.173524170000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.166648750000000,  0.166648750000000,  0.833329330000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.506881340000000,  0.506881340000000,  0.159791560000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.173544610000000,  0.173544610000000,  0.493129030000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.826455390000000,  0.826455390000000,  0.506870970000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.840202090000000,  0.840202090000000,  0.826475830000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.493118660000000,  0.493118660000000,  0.840208440000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.833351250000000,  0.833351250000000,  0.166670670000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.072631989442682,    -0.256094412544656,     0.014302862569810 ] # a*  - [     0.072631989442682,     0.256094412544656,     0.014302862569810 ] # b*  - [     0.002653119553065,     0.000000000000000,     0.112958370915516 ] # c*unit_cell:  lattice:  - [    13.832014389999999,     0.000000000000000,    -0.324880640000000 ] # a  - [     0.000000000000000,     3.904809910000000,     0.000000000000000 ] # b  - [    -1.751418680000000,     0.000000000000000,     8.893955490000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.807106320000000,  0.500000000000000,  0.359553710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.640437220000000,  0.000000000000000,  0.026208740000000 ]    mass: 138.905470    reduced_to: 2  - symbol: La # 3    coordinates: [  0.692893680000000,  0.000000000000000,  0.640446290000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 4    coordinates: [  0.526226730000000,  0.500000000000000,  0.307112230000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 5    coordinates: [  0.859562780000000,  0.500000000000000,  0.973791260000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 6    coordinates: [  0.973773270000000,  0.000000000000000,  0.692887770000000 ]    mass: 138.905470    reduced_to: 6  - symbol: La # 7    coordinates: [  0.307106320000000,  0.000000000000000,  0.359553710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 8    coordinates: [  0.140437220000000,  0.500000000000000,  0.026208740000000 ]    mass: 138.905470    reduced_to: 2  - symbol: La # 9    coordinates: [  0.192893680000000,  0.500000000000000,  0.640446290000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 10    coordinates: [  0.026226730000000,  0.000000000000000,  0.307112230000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 11    coordinates: [  0.359562780000000,  0.000000000000000,  0.973791260000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 12    coordinates: [  0.473773270000000,  0.500000000000000,  0.692887770000000 ]    mass: 138.905470    reduced_to: 6  - symbol: O  # 13    coordinates: [  0.659797910000000,  0.500000000000000,  0.173524170000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.666648750000000,  0.500000000000000,  0.833329330000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.506881340000000,  0.000000000000000,  0.159791560000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.673544610000000,  0.500000000000000,  0.493129030000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.826455390000000,  0.000000000000000,  0.506870970000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.840202090000000,  0.000000000000000,  0.826475830000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.993118660000000,  0.500000000000000,  0.840208440000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.833351250000000,  0.000000000000000,  0.166670670000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.159797910000000,  0.000000000000000,  0.173524170000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 23    coordinates: [  0.166648750000000,  0.000000000000000,  0.833329330000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 24    coordinates: [  0.006881340000000,  0.500000000000000,  0.159791560000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 25    coordinates: [  0.173544610000000,  0.000000000000000,  0.493129030000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 26    coordinates: [  0.326455390000000,  0.500000000000000,  0.506870970000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 27    coordinates: [  0.340202090000000,  0.500000000000000,  0.826475830000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 28    coordinates: [  0.493118660000000,  0.000000000000000,  0.840208440000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 29    coordinates: [  0.333351250000000,  0.500000000000000,  0.166670670000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 30    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 21supercell:  lattice:  - [    13.832014389999999,     0.000000000000000,    -0.324880640000000 ] # a  - [     0.000000000000000,    11.714429729999999,     0.000000000000000 ] # b  - [    -1.751418680000000,     0.000000000000000,     8.893955490000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.807106320000000,  0.166666666666667,  0.359553710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.807106320000000,  0.500000000000000,  0.359553710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 3    coordinates: [  0.807106320000000,  0.833333333333333,  0.359553710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 4    coordinates: [  0.640437220000000,  0.000000000000000,  0.026208740000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 5    coordinates: [  0.640437220000000,  0.333333333333333,  0.026208740000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 6    coordinates: [  0.640437220000000,  0.666666666666667,  0.026208740000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 7    coordinates: [  0.692893680000000,  0.000000000000000,  0.640446290000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 8    coordinates: [  0.692893680000000,  0.333333333333333,  0.640446290000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 9    coordinates: [  0.692893680000000,  0.666666666666667,  0.640446290000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 10    coordinates: [  0.526226730000000,  0.166666666666667,  0.307112230000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 11    coordinates: [  0.526226730000000,  0.500000000000000,  0.307112230000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 12    coordinates: [  0.526226730000000,  0.833333333333333,  0.307112230000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 13    coordinates: [  0.859562780000000,  0.166666666666667,  0.973791260000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 14    coordinates: [  0.859562780000000,  0.500000000000000,  0.973791260000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 15    coordinates: [  0.859562780000000,  0.833333333333333,  0.973791260000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 16    coordinates: [  0.973773270000000,  0.000000000000000,  0.692887770000000 ]    mass: 138.905470    reduced_to: 16  - symbol: La # 17    coordinates: [  0.973773270000000,  0.333333333333333,  0.692887770000000 ]    mass: 138.905470    reduced_to: 16  - symbol: La # 18    coordinates: [  0.973773270000000,  0.666666666666667,  0.692887770000000 ]    mass: 138.905470    reduced_to: 16  - symbol: La # 19    coordinates: [  0.307106320000000,  0.000000000000000,  0.359553710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 20    coordinates: [  0.307106320000000,  0.333333333333333,  0.359553710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 21    coordinates: [  0.307106320000000,  0.666666666666667,  0.359553710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 22    coordinates: [  0.140437220000000,  0.166666666666667,  0.026208740000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 23    coordinates: [  0.140437220000000,  0.500000000000000,  0.026208740000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 24    coordinates: [  0.140437220000000,  0.833333333333333,  0.026208740000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 25    coordinates: [  0.192893680000000,  0.166666666666667,  0.640446290000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 26    coordinates: [  0.192893680000000,  0.500000000000000,  0.640446290000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 27    coordinates: [  0.192893680000000,  0.833333333333333,  0.640446290000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 28    coordinates: [  0.026226730000000,  0.000000000000000,  0.307112230000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 29    coordinates: [  0.026226730000000,  0.333333333333333,  0.307112230000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 30    coordinates: [  0.026226730000000,  0.666666666666667,  0.307112230000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 31    coordinates: [  0.359562780000000,  0.000000000000000,  0.973791260000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 32    coordinates: [  0.359562780000000,  0.333333333333333,  0.973791260000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 33    coordinates: [  0.359562780000000,  0.666666666666667,  0.973791260000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 34    coordinates: [  0.473773270000000,  0.166666666666667,  0.692887770000000 ]    mass: 138.905470    reduced_to: 16  - symbol: La # 35    coordinates: [  0.473773270000000,  0.500000000000000,  0.692887770000000 ]    mass: 138.905470    reduced_to: 16  - symbol: La # 36    coordinates: [  0.473773270000000,  0.833333333333333,  0.692887770000000 ]    mass: 138.905470    reduced_to: 16  - symbol: O  # 37    coordinates: [  0.659797910000000,  0.166666666666667,  0.173524170000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.659797910000000,  0.500000000000000,  0.173524170000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.659797910000000,  0.833333333333333,  0.173524170000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.666648750000000,  0.166666666666667,  0.833329330000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.666648750000000,  0.500000000000000,  0.833329330000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 42    coordinates: [  0.666648750000000,  0.833333333333333,  0.833329330000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 43    coordinates: [  0.506881340000000,  0.000000000000000,  0.159791560000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.506881340000000,  0.333333333333333,  0.159791560000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.506881340000000,  0.666666666666667,  0.159791560000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 46    coordinates: [  0.673544610000000,  0.166666666666667,  0.493129030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.673544610000000,  0.500000000000000,  0.493129030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 48    coordinates: [  0.673544610000000,  0.833333333333333,  0.493129030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 49    coordinates: [  0.826455390000000,  0.000000000000000,  0.506870970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.826455390000000,  0.333333333333333,  0.506870970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.826455390000000,  0.666666666666667,  0.506870970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.840202090000000,  0.000000000000000,  0.826475830000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.840202090000000,  0.333333333333333,  0.826475830000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 54    coordinates: [  0.840202090000000,  0.666666666666667,  0.826475830000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 55    coordinates: [  0.993118660000000,  0.166666666666667,  0.840208440000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.993118660000000,  0.500000000000000,  0.840208440000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.993118660000000,  0.833333333333333,  0.840208440000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.833351250000000,  0.000000000000000,  0.166670670000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.833351250000000,  0.333333333333333,  0.166670670000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 60    coordinates: [  0.833351250000000,  0.666666666666667,  0.166670670000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 61    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.500000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.500000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.159797910000000,  0.000000000000000,  0.173524170000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 65    coordinates: [  0.159797910000000,  0.333333333333333,  0.173524170000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 66    coordinates: [  0.159797910000000,  0.666666666666667,  0.173524170000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 67    coordinates: [  0.166648750000000,  0.000000000000000,  0.833329330000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 68    coordinates: [  0.166648750000000,  0.333333333333333,  0.833329330000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 69    coordinates: [  0.166648750000000,  0.666666666666667,  0.833329330000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 70    coordinates: [  0.006881340000000,  0.166666666666667,  0.159791560000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 71    coordinates: [  0.006881340000000,  0.500000000000000,  0.159791560000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 72    coordinates: [  0.006881340000000,  0.833333333333333,  0.159791560000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 73    coordinates: [  0.173544610000000,  0.000000000000000,  0.493129030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 74    coordinates: [  0.173544610000000,  0.333333333333333,  0.493129030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 75    coordinates: [  0.173544610000000,  0.666666666666667,  0.493129030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 76    coordinates: [  0.326455390000000,  0.166666666666667,  0.506870970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 77    coordinates: [  0.326455390000000,  0.500000000000000,  0.506870970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 78    coordinates: [  0.326455390000000,  0.833333333333333,  0.506870970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 79    coordinates: [  0.340202090000000,  0.166666666666667,  0.826475830000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 80    coordinates: [  0.340202090000000,  0.500000000000000,  0.826475830000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 81    coordinates: [  0.340202090000000,  0.833333333333333,  0.826475830000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 82    coordinates: [  0.493118660000000,  0.000000000000000,  0.840208440000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 83    coordinates: [  0.493118660000000,  0.333333333333333,  0.840208440000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 84    coordinates: [  0.493118660000000,  0.666666666666667,  0.840208440000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 85    coordinates: [  0.333351250000000,  0.166666666666667,  0.166670670000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 86    coordinates: [  0.333351250000000,  0.500000000000000,  0.166670670000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 87    coordinates: [  0.333351250000000,  0.833333333333333,  0.166670670000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 88    coordinates: [  0.000000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 89    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 90    coordinates: [  0.000000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 61born_effective_charge:- # 1 (La)  - [  3.942565920000000,  0.000000000000000,  0.149025680000000 ]  - [  0.000000000000000,  4.210384280000000, -0.000000000000000 ]  - [  0.160563250000000, -0.000000000000000,  4.111854790000000 ]- # 2 (La)  - [  3.942511140000001,  0.000000000000000,  0.148975120000000 ]  - [  0.000000000000000,  4.210813610000000, -0.000000000000000 ]  - [  0.160399550000000, -0.000000000000000,  4.111666710000000 ]- # 3 (La)  - [  3.942565920000001,  0.000000000000000,  0.149025680000000 ]  - [  0.000000000000000,  4.210384280000000, -0.000000000000000 ]  - [  0.160563250000000, -0.000000000000000,  4.111854790000000 ]- # 4 (La)  - [  3.942469110000001,  0.000000000000000,  0.149339160000000 ]  - [  0.000000000000000,  4.211110450000000, -0.000000000000000 ]  - [  0.160862480000000, -0.000000000000000,  4.111988590000000 ]- # 5 (La)  - [  3.942511140000001,  0.000000000000000,  0.148975120000000 ]  - [  0.000000000000000,  4.210813610000000, -0.000000000000000 ]  - [  0.160399550000000, -0.000000000000000,  4.111666710000000 ]- # 6 (La)  - [  3.942469110000001,  0.000000000000000,  0.149339160000000 ]  - [  0.000000000000000,  4.211110450000000, -0.000000000000000 ]  - [  0.160862480000000, -0.000000000000000,  4.111988590000000 ]- # 7 (O)  - [ -2.638087570000000, -0.000000000000000, -0.125833130000000 ]  - [ -0.000000000000000, -2.857826230000000,  0.000000000000000 ]  - [ -0.135516890000000,  0.000000000000000, -2.774479770000000 ]- # 8 (O)  - [ -2.608569090000000, -0.000000000000000, -0.046999100000000 ]  - [ -0.000000000000000, -2.710753780000000,  0.000000000000000 ]  - [ -0.050621320000000,  0.000000000000000, -2.674870650000000 ]- # 9 (O)  - [ -2.638226540000000, -0.000000000000000, -0.125457420000000 ]  - [ -0.000000000000000, -2.855171400000000,  0.000000000000000 ]  - [ -0.135170980000000,  0.000000000000000, -2.774351710000000 ]- # 10 (O)  - [ -2.638340440000000, -0.000000000000000, -0.125488460000000 ]  - [ -0.000000000000000, -2.856100600000000,  0.000000000000000 ]  - [ -0.135224450000000,  0.000000000000000, -2.774329250000000 ]- # 11 (O)  - [ -2.638340440000000, -0.000000000000000, -0.125488460000000 ]  - [ -0.000000000000000, -2.856100600000000,  0.000000000000000 ]  - [ -0.135224450000000,  0.000000000000000, -2.774329250000000 ]- # 12 (O)  - [ -2.638087570000000, -0.000000000000000, -0.125833130000000 ]  - [ -0.000000000000000, -2.857826230000000,  0.000000000000000 ]  - [ -0.135516890000000,  0.000000000000000, -2.774479770000000 ]- # 13 (O)  - [ -2.638226540000000, -0.000000000000000, -0.125457420000000 ]  - [ -0.000000000000000, -2.855171400000000,  0.000000000000000 ]  - [ -0.135170980000000,  0.000000000000000, -2.774351710000000 ]- # 14 (O)  - 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