# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d2981f03-c3a1-426d-b421-eeb6520fc9a7/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 CsCr5S8 / C2/m (12) / materials id 540569](https://mdr.nims.go.jp/datasets/8efd10fb-123c-4333-9fb3-0fe48bb342ca)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  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:  - [    10.434931539999999,    -1.573407240000000,     0.038786695000000 ] # a  - [    10.434931539999999,     1.573407240000000,     0.038786695000000 ] # b  - [    -5.028951050000000,     0.000000000000000,     6.658666750000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 132.905452  - symbol: Cr # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 51.996100  - symbol: Cr # 3    coordinates: [  0.352561510000000,  0.352561510000000,  0.712429640000000 ]    mass: 51.996100  - symbol: Cr # 4    coordinates: [  0.647438490000000,  0.647438490000000,  0.287570360000000 ]    mass: 51.996100  - symbol: Cr # 5    coordinates: [  0.286340490000000,  0.286340490000000,  0.929895820000000 ]    mass: 51.996100  - symbol: Cr # 6    coordinates: [  0.713659510000000,  0.713659510000000,  0.070104180000000 ]    mass: 51.996100  - symbol: S  # 7    coordinates: [  0.572567120000000,  0.572567120000000,  0.963896300000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.427432880000000,  0.427432880000000,  0.036103700000000 ]    mass: 32.065000  - symbol: S  # 9    coordinates: [  0.088417750000000,  0.088417750000000,  0.345204620000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.911582250000000,  0.911582250000000,  0.654795380000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.162924290000000,  0.162924290000000,  0.829050960000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.837075710000000,  0.837075710000000,  0.170949040000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.242074700000000,  0.242074700000000,  0.326321900000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.757925300000000,  0.757925300000000,  0.673678100000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.047781846510995,    -0.317781682509609,     0.036087189253375 ] # a*  - [     0.047781846510995,     0.317781682509609,     0.036087189253375 ] # b*  - [    -0.000556657954735,     0.000000000000000,     0.149759799045964 ] # c*unit_cell:  lattice:  - [    20.869863079999998,     0.000000000000000,     0.077573390000000 ] # a  - [     0.000000000000000,     3.146814480000000,     0.000000000000000 ] # b  - [    -5.028951050000000,     0.000000000000000,     6.658666750000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cr # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 51.996100    reduced_to: 3  - symbol: Cr # 4    coordinates: [  0.852561510000000,  0.500000000000000,  0.712429640000000 ]    mass: 51.996100    reduced_to: 4  - symbol: Cr # 5    coordinates: [  0.647438490000000,  0.000000000000000,  0.287570360000000 ]    mass: 51.996100    reduced_to: 5  - symbol: Cr # 6    coordinates: [  0.786340490000000,  0.500000000000000,  0.929895820000000 ]    mass: 51.996100    reduced_to: 6  - symbol: Cr # 7    coordinates: [  0.713659510000000,  0.000000000000000,  0.070104180000000 ]    mass: 51.996100    reduced_to: 7  - symbol: Cr # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 51.996100    reduced_to: 3  - symbol: Cr # 9    coordinates: [  0.352561510000000,  0.000000000000000,  0.712429640000000 ]    mass: 51.996100    reduced_to: 4  - symbol: Cr # 10    coordinates: [  0.147438490000000,  0.500000000000000,  0.287570360000000 ]    mass: 51.996100    reduced_to: 5  - symbol: Cr # 11    coordinates: [  0.286340490000000,  0.000000000000000,  0.929895820000000 ]    mass: 51.996100    reduced_to: 6  - symbol: Cr # 12    coordinates: [  0.213659510000000,  0.500000000000000,  0.070104180000000 ]    mass: 51.996100    reduced_to: 7  - symbol: S  # 13    coordinates: [  0.572567120000000,  0.000000000000000,  0.963896300000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.927432880000000,  0.500000000000000,  0.036103700000000 ]    mass: 32.065000    reduced_to: 14  - symbol: S  # 15    coordinates: [  0.588417750000000,  0.500000000000000,  0.345204620000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 16    coordinates: [  0.911582250000000,  0.000000000000000,  0.654795380000000 ]    mass: 32.065000    reduced_to: 16  - symbol: S  # 17    coordinates: [  0.662924290000000,  0.500000000000000,  0.829050960000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.837075710000000,  0.000000000000000,  0.170949040000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 19    coordinates: [  0.742074700000000,  0.500000000000000,  0.326321900000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.757925300000000,  0.000000000000000,  0.673678100000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.072567120000000,  0.500000000000000,  0.963896300000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 22    coordinates: [  0.427432880000000,  0.000000000000000,  0.036103700000000 ]    mass: 32.065000    reduced_to: 14  - symbol: S  # 23    coordinates: [  0.088417750000000,  0.000000000000000,  0.345204620000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 24    coordinates: [  0.411582250000000,  0.500000000000000,  0.654795380000000 ]    mass: 32.065000    reduced_to: 16  - symbol: S  # 25    coordinates: [  0.162924290000000,  0.000000000000000,  0.829050960000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 26    coordinates: [  0.337075710000000,  0.500000000000000,  0.170949040000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 27    coordinates: [  0.242074700000000,  0.000000000000000,  0.326321900000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 28    coordinates: [  0.257925300000000,  0.500000000000000,  0.673678100000000 ]    mass: 32.065000    reduced_to: 20supercell:  lattice:  - [    20.869863079999998,     0.000000000000000,     0.077573390000000 ] # a  - [     0.000000000000000,     9.440443440000001,     0.000000000000000 ] # b  - [    -5.028951050000000,     0.000000000000000,     6.658666750000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.500000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.500000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.000000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.000000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cr # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 51.996100    reduced_to: 7  - symbol: Cr # 8    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 51.996100    reduced_to: 7  - symbol: Cr # 9    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 51.996100    reduced_to: 7  - symbol: Cr # 10    coordinates: [  0.852561510000000,  0.166666666666667,  0.712429640000000 ]    mass: 51.996100    reduced_to: 10  - symbol: Cr # 11    coordinates: [  0.852561510000000,  0.500000000000000,  0.712429640000000 ]    mass: 51.996100    reduced_to: 10  - symbol: Cr # 12    coordinates: [  0.852561510000000,  0.833333333333333,  0.712429640000000 ]    mass: 51.996100    reduced_to: 10  - symbol: Cr # 13    coordinates: [  0.647438490000000,  0.000000000000000,  0.287570360000000 ]    mass: 51.996100    reduced_to: 13  - symbol: Cr # 14    coordinates: [  0.647438490000000,  0.333333333333333,  0.287570360000000 ]    mass: 51.996100    reduced_to: 13  - symbol: Cr # 15    coordinates: [  0.647438490000000,  0.666666666666667,  0.287570360000000 ]    mass: 51.996100    reduced_to: 13  - symbol: Cr # 16    coordinates: [  0.786340490000000,  0.166666666666667,  0.929895820000000 ]    mass: 51.996100    reduced_to: 16  - symbol: Cr # 17    coordinates: [  0.786340490000000,  0.500000000000000,  0.929895820000000 ]    mass: 51.996100    reduced_to: 16  - symbol: Cr # 18    coordinates: [  0.786340490000000,  0.833333333333333,  0.929895820000000 ]    mass: 51.996100    reduced_to: 16  - symbol: Cr # 19    coordinates: [  0.713659510000000,  0.000000000000000,  0.070104180000000 ]    mass: 51.996100    reduced_to: 19  - symbol: Cr # 20    coordinates: [  0.713659510000000,  0.333333333333333,  0.070104180000000 ]    mass: 51.996100    reduced_to: 19  - symbol: Cr # 21    coordinates: [  0.713659510000000,  0.666666666666667,  0.070104180000000 ]    mass: 51.996100    reduced_to: 19  - symbol: Cr # 22    coordinates: [  0.500000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 51.996100    reduced_to: 7  - symbol: Cr # 23    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 51.996100    reduced_to: 7  - symbol: Cr # 24    coordinates: [  0.500000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 51.996100    reduced_to: 7  - symbol: Cr # 25    coordinates: [  0.352561510000000,  0.000000000000000,  0.712429640000000 ]    mass: 51.996100    reduced_to: 10  - symbol: Cr # 26    coordinates: [  0.352561510000000,  0.333333333333333,  0.712429640000000 ]    mass: 51.996100    reduced_to: 10  - symbol: Cr # 27    coordinates: [  0.352561510000000,  0.666666666666667,  0.712429640000000 ]    mass: 51.996100    reduced_to: 10  - symbol: Cr # 28    coordinates: [  0.147438490000000,  0.166666666666667,  0.287570360000000 ]    mass: 51.996100    reduced_to: 13  - symbol: Cr # 29    coordinates: [  0.147438490000000,  0.500000000000000,  0.287570360000000 ]    mass: 51.996100    reduced_to: 13  - symbol: Cr # 30    coordinates: [  0.147438490000000,  0.833333333333333,  0.287570360000000 ]    mass: 51.996100    reduced_to: 13  - symbol: Cr # 31    coordinates: [  0.286340490000000,  0.000000000000000,  0.929895820000000 ]    mass: 51.996100    reduced_to: 16  - symbol: Cr # 32    coordinates: [  0.286340490000000,  0.333333333333333,  0.929895820000000 ]    mass: 51.996100    reduced_to: 16  - symbol: Cr # 33    coordinates: [  0.286340490000000,  0.666666666666667,  0.929895820000000 ]    mass: 51.996100    reduced_to: 16  - symbol: Cr # 34    coordinates: [  0.213659510000000,  0.166666666666667,  0.070104180000000 ]    mass: 51.996100    reduced_to: 19  - symbol: Cr # 35    coordinates: [  0.213659510000000,  0.500000000000000,  0.070104180000000 ]    mass: 51.996100    reduced_to: 19  - symbol: Cr # 36    coordinates: [  0.213659510000000,  0.833333333333333,  0.070104180000000 ]    mass: 51.996100    reduced_to: 19  - symbol: S  # 37    coordinates: [  0.572567120000000,  0.000000000000000,  0.963896300000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.572567120000000,  0.333333333333333,  0.963896300000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 39    coordinates: [  0.572567120000000,  0.666666666666667,  0.963896300000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 40    coordinates: [  0.927432880000000,  0.166666666666667,  0.036103700000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.927432880000000,  0.500000000000000,  0.036103700000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 42    coordinates: [  0.927432880000000,  0.833333333333333,  0.036103700000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 43    coordinates: [  0.588417750000000,  0.166666666666667,  0.345204620000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.588417750000000,  0.500000000000000,  0.345204620000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 45    coordinates: [  0.588417750000000,  0.833333333333333,  0.345204620000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 46    coordinates: [  0.911582250000000,  0.000000000000000,  0.654795380000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.911582250000000,  0.333333333333333,  0.654795380000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 48    coordinates: [  0.911582250000000,  0.666666666666667,  0.654795380000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 49    coordinates: [  0.662924290000000,  0.166666666666667,  0.829050960000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.662924290000000,  0.500000000000000,  0.829050960000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 51    coordinates: [  0.662924290000000,  0.833333333333333,  0.829050960000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 52    coordinates: [  0.837075710000000,  0.000000000000000,  0.170949040000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 53    coordinates: [  0.837075710000000,  0.333333333333333,  0.170949040000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 54    coordinates: [  0.837075710000000,  0.666666666666667,  0.170949040000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 55    coordinates: [  0.742074700000000,  0.166666666666667,  0.326321900000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.742074700000000,  0.500000000000000,  0.326321900000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 57    coordinates: [  0.742074700000000,  0.833333333333333,  0.326321900000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 58    coordinates: [  0.757925300000000,  0.000000000000000,  0.673678100000000 ]    mass: 32.065000    reduced_to: 58  - symbol: S  # 59    coordinates: [  0.757925300000000,  0.333333333333333,  0.673678100000000 ]    mass: 32.065000    reduced_to: 58  - symbol: S  # 60    coordinates: [  0.757925300000000,  0.666666666666667,  0.673678100000000 ]    mass: 32.065000    reduced_to: 58  - symbol: S  # 61    coordinates: [  0.072567120000000,  0.166666666666667,  0.963896300000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 62    coordinates: [  0.072567120000000,  0.500000000000000,  0.963896300000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 63    coordinates: [  0.072567120000000,  0.833333333333333,  0.963896300000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 64    coordinates: [  0.427432880000000,  0.000000000000000,  0.036103700000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 65    coordinates: [  0.427432880000000,  0.333333333333333,  0.036103700000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 66    coordinates: [  0.427432880000000,  0.666666666666667,  0.036103700000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 67    coordinates: [  0.088417750000000,  0.000000000000000,  0.345204620000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 68    coordinates: [  0.088417750000000,  0.333333333333333,  0.345204620000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 69    coordinates: [  0.088417750000000,  0.666666666666667,  0.345204620000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 70    coordinates: [  0.411582250000000,  0.166666666666667,  0.654795380000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 71    coordinates: [  0.411582250000000,  0.500000000000000,  0.654795380000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 72    coordinates: [  0.411582250000000,  0.833333333333333,  0.654795380000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 73    coordinates: [  0.162924290000000,  0.000000000000000,  0.829050960000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 74    coordinates: [  0.162924290000000,  0.333333333333333,  0.829050960000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 75    coordinates: [  0.162924290000000,  0.666666666666667,  0.829050960000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 76    coordinates: [  0.337075710000000,  0.166666666666667,  0.170949040000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 77    coordinates: [  0.337075710000000,  0.500000000000000,  0.170949040000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 78    coordinates: [  0.337075710000000,  0.833333333333333,  0.170949040000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 79    coordinates: [  0.242074700000000,  0.000000000000000,  0.326321900000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 80    coordinates: [  0.242074700000000,  0.333333333333333,  0.326321900000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 81    coordinates: [  0.242074700000000,  0.666666666666667,  0.326321900000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 82    coordinates: [  0.257925300000000,  0.166666666666667,  0.673678100000000 ]    mass: 32.065000    reduced_to: 58  - symbol: S  # 83    coordinates: [  0.257925300000000,  0.500000000000000,  0.673678100000000 ]    mass: 32.065000    reduced_to: 58  - 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