# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6c00aa9c-895d-43ff-83c2-ecac193e5e94/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 Li4GeO4 / Cmcm (63) / materials id 4558](https://mdr.nims.go.jp/datasets/092187e9-16ad-4127-9a4a-ae9bdaea9fbd)

## 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: "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:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.885133955000000,    -3.657785210000000,     0.000000000000000 ] # a  - [     3.885133955000000,     3.657785210000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.036799140000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.579073550000000,  0.124613610000000,  0.250000000000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.420926450000000,  0.875386390000000,  0.750000000000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.161026700000000,  0.161026700000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.838973300000000,  0.838973300000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.838973300000000,  0.838973300000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 6    coordinates: [  0.161026700000000,  0.161026700000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 7    coordinates: [  0.124613610000000,  0.579073550000000,  0.750000000000000 ]    mass: 6.941000  - symbol: Li # 8    coordinates: [  0.875386390000000,  0.420926450000000,  0.250000000000000 ]    mass: 6.941000  - symbol: O  # 9    coordinates: [  0.341159480000000,  0.267404600000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.658840520000000,  0.732595400000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.796061460000000,  0.203938540000000,  0.505704120000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.203938540000000,  0.796061460000000,  0.005704120000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.796061460000000,  0.203938540000000,  0.994295880000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.203938540000000,  0.796061460000000,  0.494295880000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.732595400000000,  0.658840520000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.267404600000000,  0.341159480000000,  0.250000000000000 ]    mass: 15.999400  - symbol: Ge # 17    coordinates: [  0.340044420000000,  0.659955580000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.659955580000000,  0.340044420000000,  0.750000000000000 ]    mass: 72.640000  reciprocal_lattice: # without 2pi  - [     0.128695691266069,    -0.136694740476574,     0.000000000000000 ] # a*  - [     0.128695691266069,     0.136694740476574,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.165650699453287 ] # c*unit_cell:  lattice:  - [     7.770267910000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.315570420000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.036799140000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.351843580000000,  0.772770030000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.648156420000000,  0.227229970000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.161026700000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.838973300000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.838973300000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.161026700000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.351843580000000,  0.227229970000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.648156420000000,  0.772770030000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 9    coordinates: [  0.851843580000000,  0.272770030000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.148156420000000,  0.727229970000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 11    coordinates: [  0.661026700000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 12    coordinates: [  0.338973300000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 13    coordinates: [  0.338973300000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 14    coordinates: [  0.661026700000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 15    coordinates: [  0.851843580000000,  0.727229970000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 16    coordinates: [  0.148156420000000,  0.272770030000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 8  - symbol: O  # 17    coordinates: [  0.304282040000000,  0.963122560000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.695717960000000,  0.036877440000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.500000000000000,  0.703938540000000,  0.505704120000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.500000000000000,  0.296061460000000,  0.005704120000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.500000000000000,  0.703938540000000,  0.994295880000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.296061460000000,  0.494295880000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.695717960000000,  0.963122560000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.304282040000000,  0.036877440000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.804282040000000,  0.463122560000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 26    coordinates: [  0.195717960000000,  0.536877440000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.203938540000000,  0.505704120000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.796061460000000,  0.005704120000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.203938540000000,  0.994295880000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 30    coordinates: [  0.000000000000000,  0.796061460000000,  0.494295880000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 31    coordinates: [  0.195717960000000,  0.463122560000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 32    coordinates: [  0.804282040000000,  0.536877440000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: Ge # 33    coordinates: [  0.500000000000000,  0.159955580000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.500000000000000,  0.840044420000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.000000000000000,  0.659955580000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 36    coordinates: [  0.000000000000000,  0.340044420000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 34supercell:  lattice:  - [     7.770267910000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.631140840000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.073598280000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.351843580000000,  0.386385015000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.351843580000000,  0.886385015000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.351843580000000,  0.386385015000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.351843580000000,  0.886385015000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.648156420000000,  0.113614985000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.648156420000000,  0.613614985000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 7    coordinates: [  0.648156420000000,  0.113614985000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 8    coordinates: [  0.648156420000000,  0.613614985000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 9    coordinates: [  0.161026700000000,  0.000000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.161026700000000,  0.500000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 11    coordinates: [  0.161026700000000,  0.000000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 12    coordinates: [  0.161026700000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 13    coordinates: [  0.838973300000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 14    coordinates: [  0.838973300000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 15    coordinates: [  0.838973300000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 16    coordinates: [  0.838973300000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 17    coordinates: [  0.838973300000000,  0.000000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 18    coordinates: [  0.838973300000000,  0.500000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 19    coordinates: [  0.838973300000000,  0.000000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 20    coordinates: [  0.838973300000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 21    coordinates: [  0.161026700000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 22    coordinates: [  0.161026700000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 23    coordinates: [  0.161026700000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 24    coordinates: [  0.161026700000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 25    coordinates: [  0.351843580000000,  0.113614985000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 26    coordinates: [  0.351843580000000,  0.613614985000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 27    coordinates: [  0.351843580000000,  0.113614985000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 28    coordinates: [  0.351843580000000,  0.613614985000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 29    coordinates: [  0.648156420000000,  0.386385015000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 29  - symbol: Li # 30    coordinates: [  0.648156420000000,  0.886385015000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 29  - symbol: Li # 31    coordinates: [  0.648156420000000,  0.386385015000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 29  - symbol: Li # 32    coordinates: [  0.648156420000000,  0.886385015000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 29  - symbol: Li # 33    coordinates: [  0.851843580000000,  0.136385015000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 34    coordinates: [  0.851843580000000,  0.636385015000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 35    coordinates: [  0.851843580000000,  0.136385015000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 36    coordinates: [  0.851843580000000,  0.636385015000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 37    coordinates: [  0.148156420000000,  0.363614985000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 38    coordinates: [  0.148156420000000,  0.863614985000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 39    coordinates: [  0.148156420000000,  0.363614985000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 40    coordinates: [  0.148156420000000,  0.863614985000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 41    coordinates: [  0.661026700000000,  0.250000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 42    coordinates: [  0.661026700000000,  0.750000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 43    coordinates: [  0.661026700000000,  0.250000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 44    coordinates: [  0.661026700000000,  0.750000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 45    coordinates: [  0.338973300000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 46    coordinates: [  0.338973300000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 47    coordinates: [  0.338973300000000,  0.250000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 48    coordinates: [  0.338973300000000,  0.750000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 49    coordinates: [  0.338973300000000,  0.250000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 50    coordinates: [  0.338973300000000,  0.750000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 51    coordinates: [  0.338973300000000,  0.250000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 52    coordinates: [  0.338973300000000,  0.750000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 53    coordinates: [  0.661026700000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 54    coordinates: [  0.661026700000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 55    coordinates: [  0.661026700000000,  0.250000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 56    coordinates: [  0.661026700000000,  0.750000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 57    coordinates: [  0.851843580000000,  0.363614985000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 58    coordinates: [  0.851843580000000,  0.863614985000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 59    coordinates: [  0.851843580000000,  0.363614985000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 60    coordinates: [  0.851843580000000,  0.863614985000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 61    coordinates: [  0.148156420000000,  0.136385015000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 29  - symbol: Li # 62    coordinates: [  0.148156420000000,  0.636385015000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 29  - symbol: Li # 63    coordinates: [  0.148156420000000,  0.136385015000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 29  - symbol: Li # 64    coordinates: [  0.148156420000000,  0.636385015000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 29  - symbol: O  # 65    coordinates: [  0.304282040000000,  0.481561280000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.304282040000000,  0.981561280000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.304282040000000,  0.481561280000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.304282040000000,  0.981561280000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.695717960000000,  0.018438720000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.695717960000000,  0.518438720000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 71    coordinates: [  0.695717960000000,  0.018438720000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 72    coordinates: [  0.695717960000000,  0.518438720000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 73    coordinates: [  0.500000000000000,  0.351969270000000,  0.252852060000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.500000000000000,  0.851969270000000,  0.252852060000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.500000000000000,  0.351969270000000,  0.752852060000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.500000000000000,  0.851969270000000,  0.752852060000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.500000000000000,  0.148030730000000,  0.002852060000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 78    coordinates: [  0.500000000000000,  0.648030730000000,  0.002852060000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 79    coordinates: [  0.500000000000000,  0.148030730000000,  0.502852060000000 ]    mass: 15.999400    reduced_to: 77  - 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