# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8dc7be9b-23d1-4474-bfe0-81844d694595/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 Rb2Ge4O9 / P-3c1 (165) / materials id 557372](https://mdr.nims.go.jp/datasets/8df0bb0a-a88c-48b7-9a56-73afa767589c)

## 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: "P-3c1"  number: 165  Hall_symbol: "-P 3 2\"c"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    12.132307369999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.066153680000000,    10.506886390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.927983500000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.998089380000000,  0.662423210000000,  0.568103590000000 ]    mass: 85.467800  - symbol: Rb # 2    coordinates: [  0.662423210000000,  0.664333840000000,  0.431896410000000 ]    mass: 85.467800  - symbol: Rb # 3    coordinates: [  0.335666160000000,  0.337576790000000,  0.931896410000000 ]    mass: 85.467800  - symbol: Rb # 4    coordinates: [  0.001910620000000,  0.337576790000000,  0.431896410000000 ]    mass: 85.467800  - symbol: Rb # 5    coordinates: [  0.337576790000000,  0.001910620000000,  0.068103590000000 ]    mass: 85.467800  - symbol: Rb # 6    coordinates: [  0.998089380000000,  0.335666160000000,  0.068103590000000 ]    mass: 85.467800  - symbol: Rb # 7    coordinates: [  0.664333840000000,  0.001910620000000,  0.568103590000000 ]    mass: 85.467800  - symbol: Rb # 8    coordinates: [  0.664333840000000,  0.662423210000000,  0.068103590000000 ]    mass: 85.467800  - symbol: Rb # 9    coordinates: [  0.662423210000000,  0.998089380000000,  0.931896410000000 ]    mass: 85.467800  - symbol: Rb # 10    coordinates: [  0.001910620000000,  0.664333840000000,  0.931896410000000 ]    mass: 85.467800  - symbol: Rb # 11    coordinates: [  0.335666160000000,  0.998089380000000,  0.431896410000000 ]    mass: 85.467800  - symbol: Rb # 12    coordinates: [  0.337576790000000,  0.335666160000000,  0.568103590000000 ]    mass: 85.467800  - symbol: Ge # 13    coordinates: [  0.000000000000000,  0.176857120000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.333121600000000,  0.484465870000000,  0.221958450000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.848655720000000,  0.333121600000000,  0.778041550000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.333121600000000,  0.848655720000000,  0.721958450000000 ]    mass: 72.640000  - symbol: Ge # 17    coordinates: [  0.515534130000000,  0.666878400000000,  0.721958450000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.151344280000000,  0.484465870000000,  0.721958450000000 ]    mass: 72.640000  - symbol: Ge # 19    coordinates: [  0.176857120000000,  0.176857120000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.151344280000000,  0.666878400000000,  0.221958450000000 ]    mass: 72.640000  - symbol: Ge # 21    coordinates: [  0.666666670000000,  0.333333330000000,  0.028842770000000 ]    mass: 72.640000  - symbol: Ge # 22    coordinates: [  0.666878400000000,  0.515534130000000,  0.778041550000000 ]    mass: 72.640000  - symbol: Ge # 23    coordinates: [  0.484465870000000,  0.333121600000000,  0.278041550000000 ]    mass: 72.640000  - symbol: Ge # 24    coordinates: [  0.000000000000000,  0.823142880000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 25    coordinates: [  0.333333330000000,  0.666666670000000,  0.971157230000000 ]    mass: 72.640000  - symbol: Ge # 26    coordinates: [  0.823142880000000,  0.000000000000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 27    coordinates: [  0.484465870000000,  0.151344280000000,  0.778041550000000 ]    mass: 72.640000  - symbol: Ge # 28    coordinates: [  0.666878400000000,  0.151344280000000,  0.278041550000000 ]    mass: 72.640000  - symbol: Ge # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000  - symbol: Ge # 30    coordinates: [  0.333333330000000,  0.666666670000000,  0.471157230000000 ]    mass: 72.640000  - symbol: Ge # 31    coordinates: [  0.823142880000000,  0.823142880000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 32    coordinates: [  0.176857120000000,  0.000000000000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 34    coordinates: [  0.515534130000000,  0.848655720000000,  0.221958450000000 ]    mass: 72.640000  - symbol: Ge # 35    coordinates: [  0.848655720000000,  0.515534130000000,  0.278041550000000 ]    mass: 72.640000  - symbol: Ge # 36    coordinates: [  0.666666670000000,  0.333333330000000,  0.528842770000000 ]    mass: 72.640000  - symbol: O  # 37    coordinates: [  0.673208620000000,  0.881484210000000,  0.179458710000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.421839450000000,  0.608126950000000,  0.578116750000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.000000000000000,  0.528366300000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.608126950000000,  0.186287510000000,  0.421883250000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.075623340000000,  0.148560610000000,  0.387370520000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.270114210000000,  0.517342230000000,  0.363098410000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.471633700000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.813712490000000,  0.391873050000000,  0.921883250000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.482657770000000,  0.729885790000000,  0.863098410000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.471633700000000,  0.471633700000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.729885790000000,  0.247228020000000,  0.136901590000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.608126950000000,  0.421839450000000,  0.921883250000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.186287510000000,  0.578160550000000,  0.578116750000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.326791380000000,  0.208275570000000,  0.320541290000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.528366300000000,  0.528366300000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.791724430000000,  0.118515790000000,  0.320541290000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.391873050000000,  0.813712490000000,  0.578116750000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.148560610000000,  0.075623340000000,  0.112629480000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.326791380000000,  0.118515790000000,  0.820541290000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.927062720000000,  0.075623340000000,  0.612629480000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.118515790000000,  0.326791380000000,  0.679458710000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.578160550000000,  0.186287510000000,  0.921883250000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.752771980000000,  0.482657770000000,  0.136901590000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.482657770000000,  0.752771980000000,  0.363098410000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.578160550000000,  0.391873050000000,  0.421883250000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.247228020000000,  0.729885790000000,  0.363098410000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.270114210000000,  0.752771980000000,  0.863098410000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.421839450000000,  0.813712490000000,  0.078116750000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.927062720000000,  0.851439390000000,  0.112629480000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.791724430000000,  0.673208620000000,  0.820541290000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.075623340000000,  0.927062720000000,  0.887370520000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.924376660000000,  0.851439390000000,  0.612629480000000 ]    mass: 15.999400  - symbol: O  # 69    coordinates: [  0.391873050000000,  0.578160550000000,  0.078116750000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.813712490000000,  0.421839450000000,  0.421883250000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.517342230000000,  0.247228020000000,  0.636901590000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.208275570000000,  0.326791380000000,  0.179458710000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.881484210000000,  0.673208620000000,  0.320541290000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.517342230000000,  0.270114210000000,  0.136901590000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.528366300000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.118515790000000,  0.791724430000000,  0.179458710000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.924376660000000,  0.072937280000000,  0.112629480000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.208275570000000,  0.881484210000000,  0.679458710000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.072937280000000,  0.148560610000000,  0.887370520000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.851439390000000,  0.927062720000000,  0.387370520000000 ]    mass: 15.999400  - symbol: O  # 81    coordinates: [  0.148560610000000,  0.072937280000000,  0.612629480000000 ]    mass: 15.999400  - symbol: O  # 82    coordinates: [  0.851439390000000,  0.924376660000000,  0.887370520000000 ]    mass: 15.999400  - symbol: O  # 83    coordinates: [  0.072937280000000,  0.924376660000000,  0.387370520000000 ]    mass: 15.999400  - symbol: O  # 84    coordinates: [  0.000000000000000,  0.471633700000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 85    coordinates: [  0.729885790000000,  0.482657770000000,  0.636901590000000 ]    mass: 15.999400  - symbol: O  # 86    coordinates: [  0.247228020000000,  0.517342230000000,  0.863098410000000 ]    mass: 15.999400  - symbol: O  # 87    coordinates: [  0.881484210000000,  0.208275570000000,  0.820541290000000 ]    mass: 15.999400  - symbol: O  # 88    coordinates: [  0.752771980000000,  0.270114210000000,  0.636901590000000 ]    mass: 15.999400  - symbol: O  # 89    coordinates: [  0.673208620000000,  0.791724430000000,  0.679458710000000 ]    mass: 15.999400  - symbol: O  # 90    coordinates: [  0.186287510000000,  0.608126950000000,  0.078116750000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.082424552024847,     0.047587837255360,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.095175674589168,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.100725388997675 ] # c*unit_cell:  lattice:  - [    12.132307369999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.066153680000000,    10.506886390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.927983500000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.998089380000000,  0.662423210000000,  0.568103590000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.662423210000000,  0.664333840000000,  0.431896410000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 3    coordinates: [  0.335666160000000,  0.337576790000000,  0.931896410000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 4    coordinates: [  0.001910620000000,  0.337576790000000,  0.431896410000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Rb # 5    coordinates: [  0.337576790000000,  0.001910620000000,  0.068103590000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 6    coordinates: [  0.998089380000000,  0.335666160000000,  0.068103590000000 ]    mass: 85.467800    reduced_to: 6  - symbol: Rb # 7    coordinates: [  0.664333840000000,  0.001910620000000,  0.568103590000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 8    coordinates: [  0.664333840000000,  0.662423210000000,  0.068103590000000 ]    mass: 85.467800    reduced_to: 8  - symbol: Rb # 9    coordinates: [  0.662423210000000,  0.998089380000000,  0.931896410000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 10    coordinates: [  0.001910620000000,  0.664333840000000,  0.931896410000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 11    coordinates: [  0.335666160000000,  0.998089380000000,  0.431896410000000 ]    mass: 85.467800    reduced_to: 11  - symbol: Rb # 12    coordinates: [  0.337576790000000,  0.335666160000000,  0.568103590000000 ]    mass: 85.467800    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.000000000000000,  0.176857120000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.333121600000000,  0.484465870000000,  0.221958450000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.848655720000000,  0.333121600000000,  0.778041550000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.333121600000000,  0.848655720000000,  0.721958450000000 ]    mass: 72.640000    reduced_to: 16  - symbol: Ge # 17    coordinates: [  0.515534130000000,  0.666878400000000,  0.721958450000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.151344280000000,  0.484465870000000,  0.721958450000000 ]    mass: 72.640000    reduced_to: 18  - symbol: Ge # 19    coordinates: [  0.176857120000000,  0.176857120000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.151344280000000,  0.666878400000000,  0.221958450000000 ]    mass: 72.640000    reduced_to: 20  - symbol: Ge # 21    coordinates: [  0.666666670000000,  0.333333330000000,  0.028842770000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.666878400000000,  0.515534130000000,  0.778041550000000 ]    mass: 72.640000    reduced_to: 22  - symbol: Ge # 23    coordinates: [  0.484465870000000,  0.333121600000000,  0.278041550000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 24    coordinates: [  0.000000000000000,  0.823142880000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 24  - symbol: Ge # 25    coordinates: [  0.333333330000000,  0.666666670000000,  0.971157230000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.823142880000000,  0.000000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 27    coordinates: [  0.484465870000000,  0.151344280000000,  0.778041550000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.666878400000000,  0.151344280000000,  0.278041550000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.333333330000000,  0.666666670000000,  0.471157230000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.823142880000000,  0.823142880000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.176857120000000,  0.000000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.515534130000000,  0.848655720000000,  0.221958450000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.848655720000000,  0.515534130000000,  0.278041550000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.666666670000000,  0.333333330000000,  0.528842770000000 ]    mass: 72.640000    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.673208620000000,  0.881484210000000,  0.179458710000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.421839450000000,  0.608126950000000,  0.578116750000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.000000000000000,  0.528366300000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.608126950000000,  0.186287510000000,  0.421883250000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.075623340000000,  0.148560610000000,  0.387370520000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.270114210000000,  0.517342230000000,  0.363098410000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.471633700000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.813712490000000,  0.391873050000000,  0.921883250000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.482657770000000,  0.729885790000000,  0.863098410000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.471633700000000,  0.471633700000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.729885790000000,  0.247228020000000,  0.136901590000000 ]    mass: 15.999400    reduced_to: 47  - 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