# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c028647c-be95-43cf-96c9-f39892c95dbb/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 NdGaGe2O7 / P2_1/c (14) / materials id 559748](https://mdr.nims.go.jp/datasets/310789fb-454b-4168-a98d-e4ac16e7c2c9)

## 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: "P2_1/c"  number: 14  Hall_symbol: "-P 2ybc"supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     7.232086920000000,     0.000000000000000,    -0.004648100000000 ] # a  - [     0.000000000000000,     6.606088240000000,     0.000000000000000 ] # b  - [    -5.954599260000000,     0.000000000000000,    11.411629410000000 ] # c  points:  - symbol: Nd # 1    coordinates: [  0.263293870000000,  0.646587940000000,  0.024601300000000 ]    mass: 144.242000  - symbol: Nd # 2    coordinates: [  0.736706130000000,  0.146587940000000,  0.475398700000000 ]    mass: 144.242000  - symbol: Nd # 3    coordinates: [  0.263293870000000,  0.853412060000000,  0.524601300000000 ]    mass: 144.242000  - symbol: Nd # 4    coordinates: [  0.736706130000000,  0.353412060000000,  0.975398700000000 ]    mass: 144.242000  - symbol: Ga # 5    coordinates: [  0.713712400000000,  0.399751450000000,  0.231615920000000 ]    mass: 69.723000  - symbol: Ga # 6    coordinates: [  0.286287600000000,  0.899751450000000,  0.268384080000000 ]    mass: 69.723000  - symbol: Ga # 7    coordinates: [  0.286287600000000,  0.600248550000000,  0.768384080000000 ]    mass: 69.723000  - symbol: Ga # 8    coordinates: [  0.713712400000000,  0.100248550000000,  0.731615920000000 ]    mass: 69.723000  - symbol: Ge # 9    coordinates: [  0.286585630000000,  0.341478290000000,  0.543963240000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.797642980000000,  0.911976830000000,  0.220321580000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.286585630000000,  0.158521710000000,  0.043963240000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.713414370000000,  0.841478290000000,  0.956036760000000 ]    mass: 72.640000  - symbol: Ge # 13    coordinates: [  0.713414370000000,  0.658521710000000,  0.456036760000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.202357020000000,  0.088023170000000,  0.779678420000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.202357020000000,  0.411976830000000,  0.279678420000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.797642980000000,  0.588023170000000,  0.720321580000000 ]    mass: 72.640000  - symbol: O  # 17    coordinates: [  0.908375040000000,  0.827642820000000,  0.478871300000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.931919070000000,  0.375517620000000,  0.193089010000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.707569960000000,  0.051272990000000,  0.871716800000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.283577360000000,  0.888849400000000,  0.720727620000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.716422640000000,  0.111150600000000,  0.279272380000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.292430040000000,  0.948727010000000,  0.128283200000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.348842370000000,  0.187474130000000,  0.315512640000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.348842370000000,  0.312525870000000,  0.815512640000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.091624960000000,  0.172357180000000,  0.521128700000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.507336160000000,  0.661973150000000,  0.922051570000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.292430040000000,  0.551272990000000,  0.628283200000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.716422640000000,  0.388849400000000,  0.779272380000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.507336160000000,  0.838026850000000,  0.422051570000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.931919070000000,  0.124482380000000,  0.693089010000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.068080930000000,  0.624482380000000,  0.806910990000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.068080930000000,  0.875517620000000,  0.306910990000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.651157630000000,  0.812525870000000,  0.684487360000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.247812860000000,  0.500050450000000,  0.423087310000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.492663840000000,  0.161973150000000,  0.577948430000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.492663840000000,  0.338026850000000,  0.077948430000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.752187140000000,  0.499949550000000,  0.576912690000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.091624960000000,  0.327642820000000,  0.021128700000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.752187140000000,  0.000050450000000,  0.076912690000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.283577360000000,  0.611150600000000,  0.220727620000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.707569960000000,  0.448727010000000,  0.371716800000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.908375040000000,  0.672357180000000,  0.978871300000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.651157630000000,  0.687474130000000,  0.184487360000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.247812860000000,  0.999949550000000,  0.923087310000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.138319061672868,     0.000000000000000,     0.072175020121089 ] # a*  - [     0.000000000000000,     0.151375513567164,     0.000000000000000 ] # b*  - [     0.000056339091243,     0.000000000000000,     0.087659302696461 ] # c*unit_cell:  lattice:  - [     7.232086920000000,     0.000000000000000,    -0.004648100000000 ] # a  - [     0.000000000000000,     6.606088240000000,     0.000000000000000 ] # b  - [    -5.954599260000000,     0.000000000000000,    11.411629410000000 ] # c  points:  - symbol: Nd # 1    coordinates: [  0.263293870000000,  0.646587940000000,  0.024601300000000 ]    mass: 144.242000    reduced_to: 1  - symbol: Nd # 2    coordinates: [  0.736706130000000,  0.146587940000000,  0.475398700000000 ]    mass: 144.242000    reduced_to: 2  - symbol: Nd # 3    coordinates: [  0.263293870000000,  0.853412060000000,  0.524601300000000 ]    mass: 144.242000    reduced_to: 3  - symbol: Nd # 4    coordinates: [  0.736706130000000,  0.353412060000000,  0.975398700000000 ]    mass: 144.242000    reduced_to: 4  - symbol: Ga # 5    coordinates: [  0.713712400000000,  0.399751450000000,  0.231615920000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 6    coordinates: [  0.286287600000000,  0.899751450000000,  0.268384080000000 ]    mass: 69.723000    reduced_to: 6  - symbol: Ga # 7    coordinates: [  0.286287600000000,  0.600248550000000,  0.768384080000000 ]    mass: 69.723000    reduced_to: 7  - symbol: Ga # 8    coordinates: [  0.713712400000000,  0.100248550000000,  0.731615920000000 ]    mass: 69.723000    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.286585630000000,  0.341478290000000,  0.543963240000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.797642980000000,  0.911976830000000,  0.220321580000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.286585630000000,  0.158521710000000,  0.043963240000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.713414370000000,  0.841478290000000,  0.956036760000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.713414370000000,  0.658521710000000,  0.456036760000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.202357020000000,  0.088023170000000,  0.779678420000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.202357020000000,  0.411976830000000,  0.279678420000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.797642980000000,  0.588023170000000,  0.720321580000000 ]    mass: 72.640000    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.908375040000000,  0.827642820000000,  0.478871300000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.931919070000000,  0.375517620000000,  0.193089010000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.707569960000000,  0.051272990000000,  0.871716800000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.283577360000000,  0.888849400000000,  0.720727620000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.716422640000000,  0.111150600000000,  0.279272380000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.292430040000000,  0.948727010000000,  0.128283200000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.348842370000000,  0.187474130000000,  0.315512640000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.348842370000000,  0.312525870000000,  0.815512640000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.091624960000000,  0.172357180000000,  0.521128700000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.507336160000000,  0.661973150000000,  0.922051570000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.292430040000000,  0.551272990000000,  0.628283200000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.716422640000000,  0.388849400000000,  0.779272380000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.507336160000000,  0.838026850000000,  0.422051570000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.931919070000000,  0.124482380000000,  0.693089010000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.068080930000000,  0.624482380000000,  0.806910990000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.068080930000000,  0.875517620000000,  0.306910990000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.651157630000000,  0.812525870000000,  0.684487360000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.247812860000000,  0.500050450000000,  0.423087310000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.492663840000000,  0.161973150000000,  0.577948430000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.492663840000000,  0.338026850000000,  0.077948430000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.752187140000000,  0.499949550000000,  0.576912690000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.091624960000000,  0.327642820000000,  0.021128700000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.752187140000000,  0.000050450000000,  0.076912690000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.283577360000000,  0.611150600000000,  0.220727620000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.707569960000000,  0.448727010000000,  0.371716800000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.908375040000000,  0.672357180000000,  0.978871300000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.651157630000000,  0.687474130000000,  0.184487360000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.247812860000000,  0.999949550000000,  0.923087310000000 ]    mass: 15.999400    reduced_to: 44supercell:  lattice:  - [     7.232086920000000,     0.000000000000000,    -0.004648100000000 ] # a  - [     0.000000000000000,    13.212176480000000,     0.000000000000000 ] # b  - [    -5.954599260000000,     0.000000000000000,    11.411629410000000 ] # c  points:  - symbol: Nd # 1    coordinates: [  0.263293870000000,  0.323293970000000,  0.024601300000000 ]    mass: 144.242000    reduced_to: 1  - symbol: Nd # 2    coordinates: [  0.263293870000000,  0.823293970000000,  0.024601300000000 ]    mass: 144.242000    reduced_to: 1  - symbol: Nd # 3    coordinates: [  0.736706130000000,  0.073293970000000,  0.475398700000000 ]    mass: 144.242000    reduced_to: 3  - symbol: Nd # 4    coordinates: [  0.736706130000000,  0.573293970000000,  0.475398700000000 ]    mass: 144.242000    reduced_to: 3  - symbol: Nd # 5    coordinates: [  0.263293870000000,  0.426706030000000,  0.524601300000000 ]    mass: 144.242000    reduced_to: 5  - symbol: Nd # 6    coordinates: [  0.263293870000000,  0.926706030000000,  0.524601300000000 ]    mass: 144.242000    reduced_to: 5  - symbol: Nd # 7    coordinates: [  0.736706130000000,  0.176706030000000,  0.975398700000000 ]    mass: 144.242000    reduced_to: 7  - symbol: Nd # 8    coordinates: [  0.736706130000000,  0.676706030000000,  0.975398700000000 ]    mass: 144.242000    reduced_to: 7  - symbol: Ga # 9    coordinates: [  0.713712400000000,  0.199875725000000,  0.231615920000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 10    coordinates: [  0.713712400000000,  0.699875725000000,  0.231615920000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 11    coordinates: [  0.286287600000000,  0.449875725000000,  0.268384080000000 ]    mass: 69.723000    reduced_to: 11  - symbol: Ga # 12    coordinates: [  0.286287600000000,  0.949875725000000,  0.268384080000000 ]    mass: 69.723000    reduced_to: 11  - symbol: Ga # 13    coordinates: [  0.286287600000000,  0.300124275000000,  0.768384080000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 14    coordinates: [  0.286287600000000,  0.800124275000000,  0.768384080000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 15    coordinates: [  0.713712400000000,  0.050124275000000,  0.731615920000000 ]    mass: 69.723000    reduced_to: 15  - symbol: Ga # 16    coordinates: [  0.713712400000000,  0.550124275000000,  0.731615920000000 ]    mass: 69.723000    reduced_to: 15  - symbol: Ge # 17    coordinates: [  0.286585630000000,  0.170739145000000,  0.543963240000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.286585630000000,  0.670739145000000,  0.543963240000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 19    coordinates: [  0.797642980000000,  0.455988415000000,  0.220321580000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.797642980000000,  0.955988415000000,  0.220321580000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 21    coordinates: [  0.286585630000000,  0.079260855000000,  0.043963240000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.286585630000000,  0.579260855000000,  0.043963240000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 23    coordinates: [  0.713414370000000,  0.420739145000000,  0.956036760000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 24    coordinates: [  0.713414370000000,  0.920739145000000,  0.956036760000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 25    coordinates: [  0.713414370000000,  0.329260855000000,  0.456036760000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.713414370000000,  0.829260855000000,  0.456036760000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 27    coordinates: [  0.202357020000000,  0.044011585000000,  0.779678420000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.202357020000000,  0.544011585000000,  0.779678420000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 29    coordinates: [  0.202357020000000,  0.205988415000000,  0.279678420000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.202357020000000,  0.705988415000000,  0.279678420000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 31    coordinates: [  0.797642980000000,  0.294011585000000,  0.720321580000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.797642980000000,  0.794011585000000,  0.720321580000000 ]    mass: 72.640000    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.908375040000000,  0.413821410000000,  0.478871300000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.908375040000000,  0.913821410000000,  0.478871300000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.931919070000000,  0.187758810000000,  0.193089010000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.931919070000000,  0.687758810000000,  0.193089010000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.707569960000000,  0.025636495000000,  0.871716800000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.707569960000000,  0.525636495000000,  0.871716800000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.283577360000000,  0.444424700000000,  0.720727620000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.283577360000000,  0.944424700000000,  0.720727620000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.716422640000000,  0.055575300000000,  0.279272380000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.716422640000000,  0.555575300000000,  0.279272380000000 ]    mass: 15.999400    reduced_to: 41  - 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