# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bf6afd4f-7afc-4d64-8333-26d6bed4e2fb/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 Y3GaO6 / Cmc2_1 (36) / materials id 554722](https://mdr.nims.go.jp/datasets/c593e81d-9baa-4376-b4d1-2ea9e0a85414)

## 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: "Cmc2_1"  number: 36  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,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     4.395633540000000,    -5.513421290000000,     0.000000000000000 ] # a  - [     4.395633540000000,     5.513421290000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.379107530000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.088067950000000,  0.298412830000000,  0.468087630000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.701587170000000,  0.911932050000000,  0.468087630000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.397778170000000,  0.602221830000000,  0.920251010000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.602221830000000,  0.397778170000000,  0.420251010000000 ]    mass: 88.905850  - symbol: Y  # 5    coordinates: [  0.911932050000000,  0.701587170000000,  0.968087630000000 ]    mass: 88.905850  - symbol: Y  # 6    coordinates: [  0.298412830000000,  0.088067950000000,  0.968087630000000 ]    mass: 88.905850  - symbol: Ga # 7    coordinates: [  0.192821270000000,  0.807178730000000,  0.498906480000000 ]    mass: 69.723000  - symbol: Ga # 8    coordinates: [  0.807178730000000,  0.192821270000000,  0.998906480000000 ]    mass: 69.723000  - symbol: O  # 9    coordinates: [  0.323345650000000,  0.356238830000000,  0.194894100000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.784352050000000,  0.215647950000000,  0.660646830000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.577471840000000,  0.105224760000000,  0.179182190000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.676654350000000,  0.643761170000000,  0.694894100000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.422528160000000,  0.894775240000000,  0.679182190000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.356238830000000,  0.323345650000000,  0.694894100000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.894775240000000,  0.422528160000000,  0.179182190000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.961819760000000,  0.038180240000000,  0.145087820000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.105224760000000,  0.577471840000000,  0.679182190000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.038180240000000,  0.961819760000000,  0.645087820000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.643761170000000,  0.676654350000000,  0.194894100000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.215647950000000,  0.784352050000000,  0.160646830000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.113749245802688,    -0.090687791427598,     0.000000000000000 ] # a*  - [     0.113749245802688,     0.090687791427598,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.185904445007442 ] # c*unit_cell:  lattice:  - [     8.791267080000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.026842580000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.379107530000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.193240390000000,  0.105172440000000,  0.468087630000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.806759610000000,  0.105172440000000,  0.468087630000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.500000000000000,  0.102221830000000,  0.920251010000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.500000000000000,  0.897778170000000,  0.420251010000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.806759610000000,  0.894827560000000,  0.968087630000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.193240390000000,  0.894827560000000,  0.968087630000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.693240390000000,  0.605172440000000,  0.468087630000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 8    coordinates: [  0.306759610000000,  0.605172440000000,  0.468087630000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 9    coordinates: [  0.000000000000000,  0.602221830000000,  0.920251010000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 10    coordinates: [  0.000000000000000,  0.397778170000000,  0.420251010000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 11    coordinates: [  0.306759610000000,  0.394827560000000,  0.968087630000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 12    coordinates: [  0.693240390000000,  0.394827560000000,  0.968087630000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Ga # 13    coordinates: [  0.500000000000000,  0.307178730000000,  0.498906480000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 14    coordinates: [  0.500000000000000,  0.692821270000000,  0.998906480000000 ]    mass: 69.723000    reduced_to: 14  - symbol: Ga # 15    coordinates: [  0.000000000000000,  0.807178730000000,  0.498906480000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 16    coordinates: [  0.000000000000000,  0.192821270000000,  0.998906480000000 ]    mass: 69.723000    reduced_to: 14  - symbol: O  # 17    coordinates: [  0.339792240000000,  0.016446590000000,  0.194894100000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.500000000000000,  0.715647950000000,  0.660646830000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.341348300000000,  0.763876460000000,  0.179182190000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.660207760000000,  0.983553410000000,  0.694894100000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.658651700000000,  0.236123540000000,  0.679182190000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.339792240000000,  0.983553410000000,  0.694894100000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.658651700000000,  0.763876460000000,  0.179182190000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.538180240000000,  0.145087820000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.341348300000000,  0.236123540000000,  0.679182190000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.500000000000000,  0.461819760000000,  0.645087820000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.660207760000000,  0.016446590000000,  0.194894100000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.500000000000000,  0.284352050000000,  0.160646830000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.839792240000000,  0.516446590000000,  0.194894100000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 30    coordinates: [  0.000000000000000,  0.215647950000000,  0.660646830000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 31    coordinates: [  0.841348300000000,  0.263876460000000,  0.179182190000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 32    coordinates: [  0.160207760000000,  0.483553410000000,  0.694894100000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 33    coordinates: [  0.158651700000000,  0.736123540000000,  0.679182190000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 34    coordinates: [  0.839792240000000,  0.483553410000000,  0.694894100000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 35    coordinates: [  0.158651700000000,  0.263876460000000,  0.179182190000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.038180240000000,  0.145087820000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 37    coordinates: [  0.841348300000000,  0.736123540000000,  0.679182190000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 38    coordinates: [  0.000000000000000,  0.961819760000000,  0.645087820000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 39    coordinates: [  0.160207760000000,  0.516446590000000,  0.194894100000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 40    coordinates: [  0.000000000000000,  0.784352050000000,  0.160646830000000 ]    mass: 15.999400    reduced_to: 28supercell:  lattice:  - [     8.791267080000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.026842580000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.758215059999999 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.193240390000000,  0.105172440000000,  0.234043815000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.193240390000000,  0.105172440000000,  0.734043815000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 3    coordinates: [  0.806759610000000,  0.105172440000000,  0.234043815000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.806759610000000,  0.105172440000000,  0.734043815000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 5    coordinates: [  0.500000000000000,  0.102221830000000,  0.460125505000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.500000000000000,  0.102221830000000,  0.960125505000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 7    coordinates: [  0.500000000000000,  0.897778170000000,  0.210125505000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.500000000000000,  0.897778170000000,  0.710125505000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 9    coordinates: [  0.806759610000000,  0.894827560000000,  0.484043815000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 10    coordinates: [  0.806759610000000,  0.894827560000000,  0.984043815000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 11    coordinates: [  0.193240390000000,  0.894827560000000,  0.484043815000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 12    coordinates: [  0.193240390000000,  0.894827560000000,  0.984043815000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 13    coordinates: [  0.693240390000000,  0.605172440000000,  0.234043815000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 14    coordinates: [  0.693240390000000,  0.605172440000000,  0.734043815000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 15    coordinates: [  0.306759610000000,  0.605172440000000,  0.234043815000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 16    coordinates: [  0.306759610000000,  0.605172440000000,  0.734043815000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 17    coordinates: [  0.000000000000000,  0.602221830000000,  0.460125505000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 18    coordinates: [  0.000000000000000,  0.602221830000000,  0.960125505000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 19    coordinates: [  0.000000000000000,  0.397778170000000,  0.210125505000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 20    coordinates: [  0.000000000000000,  0.397778170000000,  0.710125505000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 21    coordinates: [  0.306759610000000,  0.394827560000000,  0.484043815000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 22    coordinates: [  0.306759610000000,  0.394827560000000,  0.984043815000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 23    coordinates: [  0.693240390000000,  0.394827560000000,  0.484043815000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 24    coordinates: [  0.693240390000000,  0.394827560000000,  0.984043815000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Ga # 25    coordinates: [  0.500000000000000,  0.307178730000000,  0.249453240000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 26    coordinates: [  0.500000000000000,  0.307178730000000,  0.749453240000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 27    coordinates: [  0.500000000000000,  0.692821270000000,  0.499453240000000 ]    mass: 69.723000    reduced_to: 27  - symbol: Ga # 28    coordinates: [  0.500000000000000,  0.692821270000000,  0.999453240000000 ]    mass: 69.723000    reduced_to: 27  - symbol: Ga # 29    coordinates: [  0.000000000000000,  0.807178730000000,  0.249453240000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 30    coordinates: [  0.000000000000000,  0.807178730000000,  0.749453240000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 31    coordinates: [  0.000000000000000,  0.192821270000000,  0.499453240000000 ]    mass: 69.723000    reduced_to: 27  - symbol: Ga # 32    coordinates: [  0.000000000000000,  0.192821270000000,  0.999453240000000 ]    mass: 69.723000    reduced_to: 27  - symbol: O  # 33    coordinates: [  0.339792240000000,  0.016446590000000,  0.097447050000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.339792240000000,  0.016446590000000,  0.597447050000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.500000000000000,  0.715647950000000,  0.330323415000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.500000000000000,  0.715647950000000,  0.830323415000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.341348300000000,  0.763876460000000,  0.089591095000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.341348300000000,  0.763876460000000,  0.589591095000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.660207760000000,  0.983553410000000,  0.347447050000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.660207760000000,  0.983553410000000,  0.847447050000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.658651700000000,  0.236123540000000,  0.339591095000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.658651700000000,  0.236123540000000,  0.839591095000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.339792240000000,  0.983553410000000,  0.347447050000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.339792240000000,  0.983553410000000,  0.847447050000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.658651700000000,  0.763876460000000,  0.089591095000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.658651700000000,  0.763876460000000,  0.589591095000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.500000000000000,  0.538180240000000,  0.072543910000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.500000000000000,  0.538180240000000,  0.572543910000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.341348300000000,  0.236123540000000,  0.339591095000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.341348300000000,  0.236123540000000,  0.839591095000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.500000000000000,  0.461819760000000,  0.322543910000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.500000000000000,  0.461819760000000,  0.822543910000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 53    coordinates: [  0.660207760000000,  0.016446590000000,  0.097447050000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.660207760000000,  0.016446590000000,  0.597447050000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.500000000000000,  0.284352050000000,  0.080323415000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.284352050000000,  0.580323415000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.839792240000000,  0.516446590000000,  0.097447050000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.839792240000000,  0.516446590000000,  0.597447050000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 59    coordinates: [  0.000000000000000,  0.215647950000000,  0.330323415000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.000000000000000,  0.215647950000000,  0.830323415000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 61    coordinates: [  0.841348300000000,  0.263876460000000,  0.089591095000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.841348300000000,  0.263876460000000,  0.589591095000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 63    coordinates: [  0.160207760000000,  0.483553410000000,  0.347447050000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.160207760000000,  0.483553410000000,  0.847447050000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 65    coordinates: [  0.158651700000000,  0.736123540000000,  0.339591095000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.158651700000000,  0.736123540000000,  0.839591095000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 67    coordinates: [  0.839792240000000,  0.483553410000000,  0.347447050000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.839792240000000,  0.483553410000000,  0.847447050000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 69    coordinates: [  0.158651700000000,  0.263876460000000,  0.089591095000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.158651700000000,  0.263876460000000,  0.589591095000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 71    coordinates: [  0.000000000000000,  0.038180240000000,  0.072543910000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.000000000000000,  0.038180240000000,  0.572543910000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 73    coordinates: [  0.841348300000000,  0.736123540000000,  0.339591095000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.841348300000000,  0.736123540000000,  0.839591095000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 75    coordinates: [  0.000000000000000,  0.961819760000000,  0.322543910000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.000000000000000,  0.961819760000000,  0.822543910000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 77    coordinates: [  0.160207760000000,  0.516446590000000,  0.097447050000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.160207760000000,  0.516446590000000,  0.597447050000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 79    coordinates: [  0.000000000000000,  0.784352050000000,  0.080323415000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.000000000000000,  0.784352050000000,  0.580323415000000 ]    mass: 15.999400    reduced_to: 55displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1549839200000000,  0.0384547100000000, -0.0009981800000000 ]  - 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