# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fd31fd78-d0a8-4a96-8a61-031f680aaf65/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 Li2S / Fm-3m (225) / materials id 1153](https://mdr.nims.go.jp/datasets/c98e54b2-d89b-4dd9-8bec-b1b353e7c00d)

## 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: "Fm-3m"  number: 225  Hall_symbol: "-F 4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     0.000000000000000,     2.826007600000000,     2.826007600000000 ] # a  - [     2.826007600000000,     0.000000000000000,     2.826007600000000 ] # b  - [     2.826007600000000,     2.826007600000000,     0.000000000000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 6.941000  - symbol: S  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [    -0.176928045062582,     0.176928045062582,     0.176928045062582 ] # a*  - [     0.176928045062582,    -0.176928045062582,     0.176928045062582 ] # b*  - [     0.176928045062582,     0.176928045062582,    -0.176928045062582 ] # c*unit_cell:  lattice:  - [     5.652015200000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.652015200000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.652015200000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 5    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 7    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: S  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 9supercell:  lattice:  - [    11.304030400000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.304030400000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.304030400000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.875000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 11    coordinates: [  0.375000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 12    coordinates: [  0.875000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 13    coordinates: [  0.375000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 14    coordinates: [  0.875000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 15    coordinates: [  0.375000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 16    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 17    coordinates: [  0.125000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 18    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 19    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 20    coordinates: [  0.625000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 21    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 22    coordinates: [  0.625000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 23    coordinates: [  0.125000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 24    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 25    coordinates: [  0.375000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 26    coordinates: [  0.875000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 27    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 28    coordinates: [  0.875000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 29    coordinates: [  0.375000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 30    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 31    coordinates: [  0.375000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 32    coordinates: [  0.875000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 33    coordinates: [  0.375000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 34    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 35    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 36    coordinates: [  0.875000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 37    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 38    coordinates: [  0.875000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 39    coordinates: [  0.375000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 40    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 41    coordinates: [  0.125000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 42    coordinates: [  0.625000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 43    coordinates: [  0.125000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 44    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 45    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 46    coordinates: [  0.625000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 47    coordinates: [  0.125000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 48    coordinates: [  0.625000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 49    coordinates: [  0.375000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 50    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 51    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 52    coordinates: [  0.875000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 53    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 54    coordinates: [  0.875000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 55    coordinates: [  0.375000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 56    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 57    coordinates: [  0.125000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 58    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 59    coordinates: [  0.125000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 60    coordinates: [  0.625000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 61    coordinates: [  0.125000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 62    coordinates: [  0.625000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 63    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 64    coordinates: [  0.625000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: S  # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 70    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 71    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 72    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 73    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 74    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 75    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 76    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 77    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 78    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 79    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 80    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 81    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 82    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 83    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 84    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 85    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 86    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 87    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 88    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 89    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 90    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 91    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 92    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 93    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 94    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 95    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 96    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 65born_effective_charge:- # 1 (Li)  - [  0.932093150000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.932093150000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.932093150000000 ]- # 2 (Li)  - [  0.932093150000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.932093150000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.932093150000000 ]- # 3 (S)  - [ -1.864186300000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.864186300000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.864186300000000 ]dielectric_constant:  - [  3.974583170000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.974583170000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.974583170000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0321357800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004525500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001898300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002086400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001898300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002086400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004729200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001124400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000295300000000,  0.0001188700000000,  0.0001188700000000 ]  - [   0.0008186900000000, -0.0004069400000000, -0.0004069400000000 ]  - [   0.0008370500000000, -0.0003866600000000,  0.0003866600000000 ]  - [  -0.0000463900000000,  0.0001330300000000, -0.0001330300000000 ]  - [   0.0008370500000000,  0.0003866600000000, -0.0003866600000000 ]  - [  -0.0000463900000000, -0.0001330300000000,  0.0001330300000000 ]  - [  -0.0000295300000000, -0.0001188700000000, -0.0001188700000000 ]  - [   0.0008186900000000,  0.0004069400000000,  0.0004069400000000 ]  - [  -0.0011244300000000, -0.0004758200000000, -0.0004758200000000 ]  - [   0.0002703500000000,  0.0001089800000000,  0.0001089800000000 ]  - [  -0.0011201100000000, -0.0004806100000000,  0.0004806100000000 ]  - [   0.0002702100000000,  0.0001110600000000, -0.0001110600000000 ]  - [  -0.0011201100000000,  0.0004806100000000, -0.0004806100000000 ]  - [   0.0002702100000000, -0.0001110600000000,  0.0001110600000000 ]  - [  -0.0011244300000000,  0.0004758200000000,  0.0004758200000000 ]  - [   0.0002703500000000, -0.0001089800000000, -0.0001089800000000 ]  - [   0.0066841300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0065577900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000224000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000042200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000224000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000042200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001801900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001855300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006842200000000,  0.0004703900000000,  0.0007005900000000 ]  - [   0.0006695400000000,  0.0004823800000000, -0.0006975900000000 ]  - [   0.0000768000000000, -0.0001109200000000, -0.0000404900000000 ]  - [   0.0000774300000000, -0.0001085500000000,  0.0000275300000000 ]  - [   0.0006842200000000, -0.0004703900000000, -0.0007005900000000 ]  - [   0.0006695400000000, -0.0004823800000000,  0.0006975900000000 ]  - 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