# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/170c1453-7d3a-4815-aa6a-a43e334fb152/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 Be4TeO7 / F-43m (216) / materials id 27608](https://mdr.nims.go.jp/datasets/001143a9-0ce7-4cf2-8760-e10139516689)

## 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: "F-43m"  number: 216  Hall_symbol: "F -4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     3.802100010000000,     3.802100010000000 ] # a  - [     3.802100010000000,     0.000000000000000,     3.802100010000000 ] # b  - [     3.802100010000000,     3.802100010000000,     0.000000000000000 ] # c  points:  - symbol: Be # 1    coordinates: [  0.627122910000000,  0.627122910000000,  0.627122910000000 ]    mass: 9.012182  - symbol: Be # 2    coordinates: [  0.627122910000000,  0.118631270000000,  0.627122910000000 ]    mass: 9.012182  - symbol: Be # 3    coordinates: [  0.627122910000000,  0.627122910000000,  0.118631270000000 ]    mass: 9.012182  - symbol: Be # 4    coordinates: [  0.118631270000000,  0.627122910000000,  0.627122910000000 ]    mass: 9.012182  - symbol: O  # 5    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.745970910000000,  0.254029090000000,  0.254029090000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.254029090000000,  0.254029090000000,  0.745970910000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.745970910000000,  0.745970910000000,  0.254029090000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.254029090000000,  0.745970910000000,  0.745970910000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.254029090000000,  0.745970910000000,  0.254029090000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.745970910000000,  0.254029090000000,  0.745970910000000 ]    mass: 15.999400  - symbol: Te # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 127.600000  reciprocal_lattice: # without 2pi  - [    -0.131506272503337,     0.131506272503337,     0.131506272503337 ] # a*  - [     0.131506272503337,    -0.131506272503337,     0.131506272503337 ] # b*  - [     0.131506272503337,     0.131506272503337,    -0.131506272503337 ] # c*unit_cell:  lattice:  - [     7.604200020000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.604200020000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.604200020000000 ] # c  points:  - symbol: Be # 1    coordinates: [  0.627122910000000,  0.127122910000000,  0.127122910000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 2    coordinates: [  0.372877090000000,  0.127122910000000,  0.872877090000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 3    coordinates: [  0.372877090000000,  0.372877090000000,  0.627122910000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 4    coordinates: [  0.627122910000000,  0.372877090000000,  0.372877090000000 ]    mass: 9.012182    reduced_to: 4  - symbol: Be # 5    coordinates: [  0.627122910000000,  0.627122910000000,  0.627122910000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 6    coordinates: [  0.372877090000000,  0.627122910000000,  0.372877090000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 7    coordinates: [  0.372877090000000,  0.872877090000000,  0.127122910000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 8    coordinates: [  0.627122910000000,  0.872877090000000,  0.872877090000000 ]    mass: 9.012182    reduced_to: 4  - symbol: Be # 9    coordinates: [  0.127122910000000,  0.127122910000000,  0.627122910000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 10    coordinates: [  0.872877090000000,  0.127122910000000,  0.372877090000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 11    coordinates: [  0.872877090000000,  0.372877090000000,  0.127122910000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 12    coordinates: [  0.127122910000000,  0.372877090000000,  0.872877090000000 ]    mass: 9.012182    reduced_to: 4  - symbol: Be # 13    coordinates: [  0.127122910000000,  0.627122910000000,  0.127122910000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 14    coordinates: [  0.872877090000000,  0.627122910000000,  0.872877090000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 15    coordinates: [  0.872877090000000,  0.872877090000000,  0.627122910000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 16    coordinates: [  0.127122910000000,  0.872877090000000,  0.372877090000000 ]    mass: 9.012182    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.254029090000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.254029090000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.500000000000000,  0.000000000000000,  0.245970910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.745970910000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.254029090000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.500000000000000,  0.245970910000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 25    coordinates: [  0.254029090000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.754029090000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.745970910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 28    coordinates: [  0.745970910000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 29    coordinates: [  0.500000000000000,  0.754029090000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 30    coordinates: [  0.500000000000000,  0.745970910000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 31    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 32    coordinates: [  0.754029090000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.500000000000000,  0.754029090000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.000000000000000,  0.745970910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 35    coordinates: [  0.245970910000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.254029090000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.245970910000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 38    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 39    coordinates: [  0.754029090000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.254029090000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.245970910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 42    coordinates: [  0.245970910000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 43    coordinates: [  0.000000000000000,  0.754029090000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 44    coordinates: [  0.000000000000000,  0.745970910000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: Te # 45    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: Te # 46    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: Te # 47    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: Te # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 45supercell:  lattice:  - [     7.604200020000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.604200020000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.604200020000000 ] # c  points:  - symbol: Be # 1    coordinates: [  0.627122910000000,  0.127122910000000,  0.127122910000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 2    coordinates: [  0.372877090000000,  0.127122910000000,  0.872877090000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 3    coordinates: [  0.372877090000000,  0.372877090000000,  0.627122910000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 4    coordinates: [  0.627122910000000,  0.372877090000000,  0.372877090000000 ]    mass: 9.012182    reduced_to: 4  - symbol: Be # 5    coordinates: [  0.627122910000000,  0.627122910000000,  0.627122910000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 6    coordinates: [  0.372877090000000,  0.627122910000000,  0.372877090000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 7    coordinates: [  0.372877090000000,  0.872877090000000,  0.127122910000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 8    coordinates: [  0.627122910000000,  0.872877090000000,  0.872877090000000 ]    mass: 9.012182    reduced_to: 4  - symbol: Be # 9    coordinates: [  0.127122910000000,  0.127122910000000,  0.627122910000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 10    coordinates: [  0.872877090000000,  0.127122910000000,  0.372877090000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 11    coordinates: [  0.872877090000000,  0.372877090000000,  0.127122910000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 12    coordinates: [  0.127122910000000,  0.372877090000000,  0.872877090000000 ]    mass: 9.012182    reduced_to: 4  - symbol: Be # 13    coordinates: [  0.127122910000000,  0.627122910000000,  0.127122910000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 14    coordinates: [  0.872877090000000,  0.627122910000000,  0.872877090000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 15    coordinates: [  0.872877090000000,  0.872877090000000,  0.627122910000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 16    coordinates: [  0.127122910000000,  0.872877090000000,  0.372877090000000 ]    mass: 9.012182    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.254029090000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.254029090000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.500000000000000,  0.000000000000000,  0.245970910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.745970910000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.254029090000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.500000000000000,  0.245970910000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 25    coordinates: [  0.254029090000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.754029090000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.745970910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 28    coordinates: [  0.745970910000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 29    coordinates: [  0.500000000000000,  0.754029090000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 30    coordinates: [  0.500000000000000,  0.745970910000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 31    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 32    coordinates: [  0.754029090000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.500000000000000,  0.754029090000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.000000000000000,  0.745970910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 35    coordinates: [  0.245970910000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.254029090000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.245970910000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 38    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 39    coordinates: [  0.754029090000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.254029090000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.245970910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 42    coordinates: [  0.245970910000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 43    coordinates: [  0.000000000000000,  0.754029090000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 44    coordinates: [  0.000000000000000,  0.745970910000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: Te # 45    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: Te # 46    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: Te # 47    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: Te # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 45displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1625864800000000, -0.0184278200000000, -0.0184278200000000 ]  - [   0.0078596300000000,  0.0040528800000000,  0.0092034700000000 ]  - [   0.0022103900000000, -0.0000489700000000,  0.0010691400000000 ]  - [  -0.0135363800000000,  0.0038272600000000,  0.0038272600000000 ]  - [  -0.0051803400000000, -0.0003825900000000, -0.0003825900000000 ]  - [   0.0022103900000000,  0.0010691400000000, -0.0000489700000000 ]  - [   0.0078596300000000,  0.0092034700000000,  0.0040528800000000 ]  - [  -0.0122865400000000, -0.0040245400000000, -0.0040245400000000 ]  - [   0.0034844800000000, -0.0003842300000000, -0.0010399600000000 ]  - [   0.0099190500000000, -0.0038303200000000,  0.0152631900000000 ]  - [   0.0099190500000000,  0.0152631900000000, -0.0038303200000000 ]  - [   0.0047201000000000,  0.0023151200000000, -0.0010746400000000 ]  - [   0.0034844800000000, -0.0010399600000000, -0.0003842300000000 ]  - [   0.0000357800000000, -0.0022963600000000, -0.0000530000000000 ]  - [   0.0000357800000000, -0.0000530000000000, -0.0022963600000000 ]  - [   0.0047201000000000, -0.0010746400000000,  0.0023151200000000 ]  - [   0.0411391600000000,  0.0160900200000000,  0.0160900200000000 ]  - [  -0.0086347100000000, -0.0009105200000000, -0.0009105200000000 ]  - [   0.0027405100000000,  0.0009830500000000,  0.0027476900000000 ]  - [   0.0335808100000000,  0.0205183700000000, -0.0080071600000000 ]  - [   0.0023597900000000, -0.0028687900000000, -0.0028687900000000 ]  - [   0.0027405100000000,  0.0027476900000000,  0.0009830500000000 ]  - [   0.0335808100000000, -0.0080071600000000,  0.0205183700000000 ]  - [   0.0018848100000000,  0.0031991100000000,  0.0031991100000000 ]  - [  -0.0030167000000000, -0.0001409800000000, -0.0001409800000000 ]  - [   0.0030526600000000, -0.0018390700000000,  0.0002841800000000 ]  - [   0.0015998600000000,  0.0039434500000000, -0.0040300100000000 ]  - [   0.0276929800000000, -0.0088235300000000, -0.0088235300000000 ]  - [   0.0030526600000000,  0.0002841800000000, -0.0018390700000000 ]  - [   0.0015998600000000, -0.0040300100000000,  0.0039434500000000 ]  - [  -0.0038482000000000, -0.0002872000000000, -0.0011242600000000 ]  - [   0.0066230700000000,  0.0022487700000000, -0.0008111100000000 ]  - [  -0.0009611300000000, -0.0000243400000000,  0.0002358500000000 ]  - [  -0.0039510200000000, -0.0001936100000000,  0.0036857000000000 ]  - [  -0.0059914500000000,  0.0023793100000000,  0.0006215700000000 ]  - [  -0.0074489500000000, -0.0030185400000000,  0.0036264700000000 ]  - [  -0.0030998800000000, -0.0006648100000000, -0.0024565300000000 ]  - [  -0.0038482000000000, -0.0011242600000000, -0.0002872000000000 ]  - [   0.0066230700000000, -0.0008111100000000,  0.0022487700000000 ]  - [  -0.0074489500000000,  0.0036264700000000, -0.0030185400000000 ]  - [  -0.0030998800000000, -0.0024565300000000, -0.0006648100000000 ]  - [  -0.0059914500000000,  0.0006215700000000,  0.0023793100000000 ]  - [  -0.0009611300000000,  0.0002358500000000, -0.0000243400000000 ]  - [  -0.0039510200000000,  0.0036857000000000, -0.0001936100000000 ]  - [   0.0387176800000000, -0.0091509200000000, -0.0091509200000000 ]  - 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