# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ad486563-07ff-4f06-80ab-71bc2bc21a73/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 InPO4 / Cmcm (63) / materials id 7566](https://mdr.nims.go.jp/datasets/0b6aff78-95a7-4f6e-aa8f-a75f3ec66177)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     2.667863200000000,    -4.022479350000000,     0.000000000000000 ] # a  - [     2.667863200000000,     4.022479350000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.822565890000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.746308210000000,  0.253691790000000,  0.559505790000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.253691790000000,  0.746308210000000,  0.059505790000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.253691790000000,  0.746308210000000,  0.440494210000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.746308210000000,  0.253691790000000,  0.940494210000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.293510680000000,  0.227124160000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.706489320000000,  0.772875840000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.227124160000000,  0.293510680000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.772875840000000,  0.706489320000000,  0.750000000000000 ]    mass: 15.999400  - symbol: P  # 9    coordinates: [  0.352064500000000,  0.647935500000000,  0.250000000000000 ]    mass: 30.973762  - symbol: P  # 10    coordinates: [  0.647935500000000,  0.352064500000000,  0.750000000000000 ]    mass: 30.973762  - symbol: In # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: In # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [     0.187415906482761,    -0.124301446072060,     0.000000000000000 ] # a*  - [     0.187415906482761,     0.124301446072060,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.146572421010360 ] # c*unit_cell:  lattice:  - [     5.335726400000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.044958700000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.822565890000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.500000000000000,  0.753691790000000,  0.559505790000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.246308210000000,  0.059505790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.500000000000000,  0.246308210000000,  0.440494210000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.500000000000000,  0.753691790000000,  0.940494210000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.260317420000000,  0.966806740000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.739682580000000,  0.033193260000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.260317420000000,  0.033193260000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.739682580000000,  0.966806740000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.253691790000000,  0.559505790000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.000000000000000,  0.746308210000000,  0.059505790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.746308210000000,  0.440494210000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.253691790000000,  0.940494210000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 13    coordinates: [  0.760317420000000,  0.466806740000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 14    coordinates: [  0.239682580000000,  0.533193260000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 15    coordinates: [  0.760317420000000,  0.533193260000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 16    coordinates: [  0.239682580000000,  0.466806740000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 8  - symbol: P  # 17    coordinates: [  0.500000000000000,  0.147935500000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 18    coordinates: [  0.500000000000000,  0.852064500000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 18  - symbol: P  # 19    coordinates: [  0.000000000000000,  0.647935500000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 20    coordinates: [  0.000000000000000,  0.352064500000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 18  - symbol: In # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 22    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 22  - symbol: In # 23    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 22supercell:  lattice:  - [    10.671452800000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.044958700000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.645131780000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.250000000000000,  0.753691790000000,  0.279752895000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.750000000000000,  0.753691790000000,  0.279752895000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.250000000000000,  0.753691790000000,  0.779752895000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.750000000000000,  0.753691790000000,  0.779752895000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.250000000000000,  0.246308210000000,  0.029752895000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.750000000000000,  0.246308210000000,  0.029752895000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.250000000000000,  0.246308210000000,  0.529752895000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.750000000000000,  0.246308210000000,  0.529752895000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.250000000000000,  0.246308210000000,  0.220247105000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.750000000000000,  0.246308210000000,  0.220247105000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.250000000000000,  0.246308210000000,  0.720247105000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.750000000000000,  0.246308210000000,  0.720247105000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.250000000000000,  0.753691790000000,  0.470247105000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.750000000000000,  0.753691790000000,  0.470247105000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.250000000000000,  0.753691790000000,  0.970247105000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.750000000000000,  0.753691790000000,  0.970247105000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.130158710000000,  0.966806740000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.630158710000000,  0.966806740000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.130158710000000,  0.966806740000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 20    coordinates: [  0.630158710000000,  0.966806740000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 21    coordinates: [  0.369841290000000,  0.033193260000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.869841290000000,  0.033193260000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.369841290000000,  0.033193260000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 24    coordinates: [  0.869841290000000,  0.033193260000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.130158710000000,  0.033193260000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.630158710000000,  0.033193260000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.130158710000000,  0.033193260000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.630158710000000,  0.033193260000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.369841290000000,  0.966806740000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.869841290000000,  0.966806740000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.369841290000000,  0.966806740000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 32    coordinates: [  0.869841290000000,  0.966806740000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.253691790000000,  0.279752895000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 34    coordinates: [  0.500000000000000,  0.253691790000000,  0.279752895000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.253691790000000,  0.779752895000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 36    coordinates: [  0.500000000000000,  0.253691790000000,  0.779752895000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.746308210000000,  0.029752895000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 38    coordinates: [  0.500000000000000,  0.746308210000000,  0.029752895000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 39    coordinates: [  0.000000000000000,  0.746308210000000,  0.529752895000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 40    coordinates: [  0.500000000000000,  0.746308210000000,  0.529752895000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.746308210000000,  0.220247105000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 42    coordinates: [  0.500000000000000,  0.746308210000000,  0.220247105000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 43    coordinates: [  0.000000000000000,  0.746308210000000,  0.720247105000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 44    coordinates: [  0.500000000000000,  0.746308210000000,  0.720247105000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 45    coordinates: [  0.000000000000000,  0.253691790000000,  0.470247105000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 46    coordinates: [  0.500000000000000,  0.253691790000000,  0.470247105000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 47    coordinates: [  0.000000000000000,  0.253691790000000,  0.970247105000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 48    coordinates: [  0.500000000000000,  0.253691790000000,  0.970247105000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 49    coordinates: [  0.380158710000000,  0.466806740000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 50    coordinates: [  0.880158710000000,  0.466806740000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 51    coordinates: [  0.380158710000000,  0.466806740000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 52    coordinates: [  0.880158710000000,  0.466806740000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 53    coordinates: [  0.119841290000000,  0.533193260000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 54    coordinates: [  0.619841290000000,  0.533193260000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 55    coordinates: [  0.119841290000000,  0.533193260000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 56    coordinates: [  0.619841290000000,  0.533193260000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 57    coordinates: [  0.380158710000000,  0.533193260000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 58    coordinates: [  0.880158710000000,  0.533193260000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 59    coordinates: [  0.380158710000000,  0.533193260000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 60    coordinates: [  0.880158710000000,  0.533193260000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 61    coordinates: [  0.119841290000000,  0.466806740000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 62    coordinates: [  0.619841290000000,  0.466806740000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 63    coordinates: [  0.119841290000000,  0.466806740000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 64    coordinates: [  0.619841290000000,  0.466806740000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: P  # 65    coordinates: [  0.250000000000000,  0.147935500000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 66    coordinates: [  0.750000000000000,  0.147935500000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 67    coordinates: [  0.250000000000000,  0.147935500000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 68    coordinates: [  0.750000000000000,  0.147935500000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 69    coordinates: [  0.250000000000000,  0.852064500000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 69  - symbol: P  # 70    coordinates: [  0.750000000000000,  0.852064500000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 69  - symbol: P  # 71    coordinates: [  0.250000000000000,  0.852064500000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 69  - symbol: P  # 72    coordinates: [  0.750000000000000,  0.852064500000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 69  - symbol: P  # 73    coordinates: [  0.000000000000000,  0.647935500000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 74    coordinates: [  0.500000000000000,  0.647935500000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 75    coordinates: [  0.000000000000000,  0.647935500000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 76    coordinates: [  0.500000000000000,  0.647935500000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 77    coordinates: [  0.000000000000000,  0.352064500000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 69  - symbol: P  # 78    coordinates: [  0.500000000000000,  0.352064500000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 69  - symbol: P  # 79    coordinates: [  0.000000000000000,  0.352064500000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 69  - symbol: P  # 80    coordinates: [  0.500000000000000,  0.352064500000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 69  - symbol: In # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 81  - symbol: In # 82    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 81  - symbol: In # 83    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 81  - symbol: In # 84    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 81  - symbol: In # 85    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 87    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 88    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 89    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 81  - symbol: In # 90    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 81  - symbol: In # 91    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 81  - symbol: In # 92    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 81  - symbol: In # 93    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 94    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 95    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 96    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 85born_effective_charge:- # 1 (O)  - [ -1.111959640000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.039266020000000, -0.761478650000000 ]  - [ -0.000000000000000, -0.646164440000000, -1.780413050000000 ]- # 2 (O)  - [ -1.111959640000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -2.039266020000000,  0.761478650000000 ]  - [  0.000000000000000,  0.646164440000000, -1.780413050000000 ]- # 3 (O)  - [ -1.111959640000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.039266020000000, -0.761478650000000 ]  - [ -0.000000000000000, -0.646164440000000, -1.780413050000000 ]- # 4 (O)  - [ -1.111959640000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -2.039266020000000,  0.761478650000000 ]  - [  0.000000000000000,  0.646164440000000, -1.780413050000000 ]- # 5 (O)  - [ -2.561796960000000,  0.855085830000000,  0.000000000000000 ]  - [  0.876017240000000, -1.509004640000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.608812830000000 ]- # 6 (O)  - [ -2.561796960000000,  0.855085830000000,  0.000000000000000 ]  - [  0.876017240000000, -1.509004640000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.608812830000000 ]- # 7 (O)  - [ -2.561796960000000, -0.855085830000000,  0.000000000000000 ]  - [ -0.876017240000000, -1.509004640000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.608812830000000 ]- # 8 (O)  - [ -2.561796960000000, -0.855085830000000,  0.000000000000000 ]  - [ -0.876017240000000, -1.509004640000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.608812830000000 ]- # 9 (P)  - [  4.079563390000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.627912270000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.152606030000000 ]- # 10 (P)  - [  4.079563390000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.627912270000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.152606030000001 ]- # 11 (In)  - [  3.267949820000001, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.468629060000000, -0.410833680000000 ]  - [  0.000000000000000,  0.369665840000000,  3.625845730000000 ]- # 12 (In)  - [  3.267949820000001, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  3.468629060000000,  0.410833680000000 ]  - [ -0.000000000000000, -0.369665840000000,  3.625845730000001 ]dielectric_constant:  - [  3.215755990000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.282967850000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.258496850000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0608370800000000, -0.0002567900000000,  0.0006614900000000 ]  - [   0.0014945100000000, -0.0003742000000000, -0.0001461400000000 ]  - [  -0.0002096600000000, -0.0003787000000000, -0.0001537900000000 ]  - [   0.0001986700000000, -0.0003795600000000, -0.0001531600000000 ]  - 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