# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4a59de81-77cf-43b1-a064-65f3ed1548f2/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 RbNO3 / Pmmn (59) / materials id 13658](https://mdr.nims.go.jp/datasets/5fb13473-43c4-4e01-8780-a7d7a207d837)

## 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: "Pmmn"  number: 59  Hall_symbol: "P 2 2ab -1ab"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     5.389338750000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.793710900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.912600870000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.011641990000000 ]    mass: 14.006700  - symbol: N  # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.988358010000000 ]    mass: 14.006700  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.188903110000000,  0.883740320000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.811096890000000,  0.883740320000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.730467670000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.269532330000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.500000000000000,  0.311096890000000,  0.116259680000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.688903110000000,  0.116259680000000 ]    mass: 15.999400  - symbol: Rb # 9    coordinates: [  0.500000000000000,  0.000000000000000,  0.599457020000000 ]    mass: 85.467800  - symbol: Rb # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.400542980000000 ]    mass: 85.467800  reciprocal_lattice: # without 2pi  - [     0.185551520583114,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.172600949073935,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.203558161239344 ] # c*unit_cell:  lattice:  - [     5.389338750000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.793710900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.912600870000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.011641990000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.988358010000000 ]    mass: 14.006700    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.188903110000000,  0.883740320000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.811096890000000,  0.883740320000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.730467670000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.269532330000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.500000000000000,  0.311096890000000,  0.116259680000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.688903110000000,  0.116259680000000 ]    mass: 15.999400    reduced_to: 8  - symbol: Rb # 9    coordinates: [  0.500000000000000,  0.000000000000000,  0.599457020000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.400542980000000 ]    mass: 85.467800    reduced_to: 10supercell:  lattice:  - [    10.778677500000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.587421800000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.737802610000001 ] # c  points:  - symbol: N  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.003880663333333 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.003880663333333 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.003880663333333 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.003880663333333 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.337213996666667 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.337213996666667 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.337213996666667 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.337213996666667 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.670547330000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.670547330000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.670547330000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.670547330000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 13    coordinates: [  0.250000000000000,  0.250000000000000,  0.329452670000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.750000000000000,  0.250000000000000,  0.329452670000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 15    coordinates: [  0.250000000000000,  0.750000000000000,  0.329452670000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 16    coordinates: [  0.750000000000000,  0.750000000000000,  0.329452670000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 17    coordinates: [  0.250000000000000,  0.250000000000000,  0.662786003333333 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 18    coordinates: [  0.750000000000000,  0.250000000000000,  0.662786003333333 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 19    coordinates: [  0.250000000000000,  0.750000000000000,  0.662786003333333 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 20    coordinates: [  0.750000000000000,  0.750000000000000,  0.662786003333333 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 21    coordinates: [  0.250000000000000,  0.250000000000000,  0.996119336666667 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 22    coordinates: [  0.750000000000000,  0.250000000000000,  0.996119336666667 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 23    coordinates: [  0.250000000000000,  0.750000000000000,  0.996119336666667 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 24    coordinates: [  0.750000000000000,  0.750000000000000,  0.996119336666667 ]    mass: 14.006700    reduced_to: 13  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.094451555000000,  0.294580106666667 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.500000000000000,  0.094451555000000,  0.294580106666667 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.594451555000000,  0.294580106666667 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.500000000000000,  0.594451555000000,  0.294580106666667 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.094451555000000,  0.627913440000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 30    coordinates: [  0.500000000000000,  0.094451555000000,  0.627913440000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 31    coordinates: [  0.000000000000000,  0.594451555000000,  0.627913440000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.594451555000000,  0.627913440000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.094451555000000,  0.961246773333333 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 34    coordinates: [  0.500000000000000,  0.094451555000000,  0.961246773333333 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.594451555000000,  0.961246773333333 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 36    coordinates: [  0.500000000000000,  0.594451555000000,  0.961246773333333 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.405548445000000,  0.294580106666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.500000000000000,  0.405548445000000,  0.294580106666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.000000000000000,  0.905548445000000,  0.294580106666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.500000000000000,  0.905548445000000,  0.294580106666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.405548445000000,  0.627913440000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 42    coordinates: [  0.500000000000000,  0.405548445000000,  0.627913440000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 43    coordinates: [  0.000000000000000,  0.905548445000000,  0.627913440000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 44    coordinates: [  0.500000000000000,  0.905548445000000,  0.627913440000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 45    coordinates: [  0.000000000000000,  0.405548445000000,  0.961246773333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 46    coordinates: [  0.500000000000000,  0.405548445000000,  0.961246773333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 47    coordinates: [  0.000000000000000,  0.905548445000000,  0.961246773333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 48    coordinates: [  0.500000000000000,  0.905548445000000,  0.961246773333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 49    coordinates: [  0.250000000000000,  0.250000000000000,  0.243489223333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.750000000000000,  0.250000000000000,  0.243489223333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.250000000000000,  0.750000000000000,  0.243489223333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.750000000000000,  0.750000000000000,  0.243489223333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.250000000000000,  0.250000000000000,  0.576822556666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 54    coordinates: [  0.750000000000000,  0.250000000000000,  0.576822556666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 55    coordinates: [  0.250000000000000,  0.750000000000000,  0.576822556666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 56    coordinates: [  0.750000000000000,  0.750000000000000,  0.576822556666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 57    coordinates: [  0.250000000000000,  0.250000000000000,  0.910155890000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 58    coordinates: [  0.750000000000000,  0.250000000000000,  0.910155890000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 59    coordinates: [  0.250000000000000,  0.750000000000000,  0.910155890000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 60    coordinates: [  0.750000000000000,  0.750000000000000,  0.910155890000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.089844110000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.500000000000000,  0.000000000000000,  0.089844110000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.000000000000000,  0.500000000000000,  0.089844110000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.500000000000000,  0.500000000000000,  0.089844110000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.423177443333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.423177443333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.423177443333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.423177443333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.756510776666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 70    coordinates: [  0.500000000000000,  0.000000000000000,  0.756510776666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 71    coordinates: [  0.000000000000000,  0.500000000000000,  0.756510776666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 72    coordinates: [  0.500000000000000,  0.500000000000000,  0.756510776666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 73    coordinates: [  0.250000000000000,  0.155548445000000,  0.038753226666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.750000000000000,  0.155548445000000,  0.038753226666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.250000000000000,  0.655548445000000,  0.038753226666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.750000000000000,  0.655548445000000,  0.038753226666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.250000000000000,  0.155548445000000,  0.372086560000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.750000000000000,  0.155548445000000,  0.372086560000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.250000000000000,  0.655548445000000,  0.372086560000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 80    coordinates: [  0.750000000000000,  0.655548445000000,  0.372086560000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 81    coordinates: [  0.250000000000000,  0.155548445000000,  0.705419893333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 82    coordinates: [  0.750000000000000,  0.155548445000000,  0.705419893333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 83    coordinates: [  0.250000000000000,  0.655548445000000,  0.705419893333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 84    coordinates: [  0.750000000000000,  0.655548445000000,  0.705419893333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 85    coordinates: [  0.250000000000000,  0.344451555000000,  0.038753226666667 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 86    coordinates: [  0.750000000000000,  0.344451555000000,  0.038753226666667 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 87    coordinates: [  0.250000000000000,  0.844451555000000,  0.038753226666667 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 88    coordinates: [  0.750000000000000,  0.844451555000000,  0.038753226666667 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 89    coordinates: [  0.250000000000000,  0.344451555000000,  0.372086560000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 90    coordinates: [  0.750000000000000,  0.344451555000000,  0.372086560000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 91    coordinates: [  0.250000000000000,  0.844451555000000,  0.372086560000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 92    coordinates: [  0.750000000000000,  0.844451555000000,  0.372086560000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 93    coordinates: [  0.250000000000000,  0.344451555000000,  0.705419893333333 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 94    coordinates: [  0.750000000000000,  0.344451555000000,  0.705419893333333 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 95    coordinates: [  0.250000000000000,  0.844451555000000,  0.705419893333333 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 96    coordinates: [  0.750000000000000,  0.844451555000000,  0.705419893333333 ]    mass: 15.999400    reduced_to: 85  - symbol: Rb # 97    coordinates: [  0.250000000000000,  0.000000000000000,  0.199819006666667 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 98    coordinates: [  0.750000000000000,  0.000000000000000,  0.199819006666667 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 99    coordinates: [  0.250000000000000,  0.500000000000000,  0.199819006666667 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 100    coordinates: [  0.750000000000000,  0.500000000000000,  0.199819006666667 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 101    coordinates: [  0.250000000000000,  0.000000000000000,  0.533152340000000 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 102    coordinates: [  0.750000000000000,  0.000000000000000,  0.533152340000000 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 103    coordinates: [  0.250000000000000,  0.500000000000000,  0.533152340000000 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 104    coordinates: [  0.750000000000000,  0.500000000000000,  0.533152340000000 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 105    coordinates: [  0.250000000000000,  0.000000000000000,  0.866485673333333 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 106    coordinates: [  0.750000000000000,  0.000000000000000,  0.866485673333333 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 107    coordinates: [  0.250000000000000,  0.500000000000000,  0.866485673333333 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 108    coordinates: [  0.750000000000000,  0.500000000000000,  0.866485673333333 ]    mass: 85.467800    reduced_to: 97  - symbol: Rb # 109    coordinates: [  0.000000000000000,  0.250000000000000,  0.133514326666667 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 110    coordinates: [  0.500000000000000,  0.250000000000000,  0.133514326666667 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 111    coordinates: [  0.000000000000000,  0.750000000000000,  0.133514326666667 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 112    coordinates: [  0.500000000000000,  0.750000000000000,  0.133514326666667 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 113    coordinates: [  0.000000000000000,  0.250000000000000,  0.466847660000000 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 114    coordinates: [  0.500000000000000,  0.250000000000000,  0.466847660000000 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 115    coordinates: [  0.000000000000000,  0.750000000000000,  0.466847660000000 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 116    coordinates: [  0.500000000000000,  0.750000000000000,  0.466847660000000 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 117    coordinates: [  0.000000000000000,  0.250000000000000,  0.800180993333333 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 118    coordinates: [  0.500000000000000,  0.250000000000000,  0.800180993333333 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 119    coordinates: [  0.000000000000000,  0.750000000000000,  0.800180993333333 ]    mass: 85.467800    reduced_to: 109  - symbol: Rb # 120    coordinates: [  0.500000000000000,  0.750000000000000,  0.800180993333333 ]    mass: 85.467800    reduced_to: 109born_effective_charge:- # 1 (N)  - [  0.078211240000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.936215730000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.581699220000000 ]- # 2 (N)  - [  0.078211240000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.936215730000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.581699220000000 ]- # 3 (O)  - [ -0.429181800000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.709197600000000,  0.567661100000000 ]  - [  0.000000000000000,  0.502403150000000, -1.046158680000000 ]- # 4 (O)  - [ -0.429181800000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.709197600000000, -0.567661100000000 ]  - [  0.000000000000000, -0.502403150000000, -1.046158680000000 ]- # 5 (O)  - [ -0.421258010000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.859452280000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.844626250000000 ]- # 6 (O)  - [ -0.421258010000000,  0.000000000000000,  0.000000000000000 ]  - 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