# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a73d8cd3-b323-4e84-93f9-8132cdd45839/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 UTeO5 / Pbcm (57) / materials id 3516](https://mdr.nims.go.jp/datasets/6ea062b5-939c-4ed2-b933-532d6de761b6)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Pbcm"  number: 57  Hall_symbol: "-P 2c 2b"supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     5.255909560000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.141224190000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.713793880000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.683822300000000,  0.408655830000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.683822300000000,  0.091344170000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.316177700000000,  0.591344170000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.316177700000000,  0.908655830000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.250109380000000,  0.616908530000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.250109380000000,  0.883091470000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.749890620000000,  0.383091470000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.749890620000000,  0.116908530000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.263834250000000,  0.213054270000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.263834250000000,  0.286945730000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.736165750000000,  0.786945730000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.736165750000000,  0.713054270000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.155507890000000,  0.100755880000000,  0.477217330000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.155507890000000,  0.399244120000000,  0.522782670000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.844492110000000,  0.899244120000000,  0.977217330000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.844492110000000,  0.600755880000000,  0.022782670000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.844492110000000,  0.899244120000000,  0.522782670000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.844492110000000,  0.600755880000000,  0.477217330000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.155507890000000,  0.100755880000000,  0.022782670000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.155507890000000,  0.399244120000000,  0.977217330000000 ]    mass: 15.999400  - symbol: Te # 21    coordinates: [  0.382559000000000,  0.250000000000000,  0.000000000000000 ]    mass: 127.600000  - symbol: Te # 22    coordinates: [  0.617441000000000,  0.750000000000000,  0.500000000000000 ]    mass: 127.600000  - symbol: Te # 23    coordinates: [  0.617441000000000,  0.750000000000000,  0.000000000000000 ]    mass: 127.600000  - symbol: Te # 24    coordinates: [  0.382559000000000,  0.250000000000000,  0.500000000000000 ]    mass: 127.600000  - symbol: U  # 25    coordinates: [  0.969099760000000,  0.513179490000000,  0.750000000000000 ]    mass: 238.028910  - symbol: U  # 26    coordinates: [  0.969099760000000,  0.986820510000000,  0.250000000000000 ]    mass: 238.028910  - symbol: U  # 27    coordinates: [  0.030900240000000,  0.486820510000000,  0.250000000000000 ]    mass: 238.028910  - symbol: U  # 28    coordinates: [  0.030900240000000,  0.013179490000000,  0.750000000000000 ]    mass: 238.028910  reciprocal_lattice: # without 2pi  - [     0.190262025741554,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.098607424632824,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.129637894861666 ] # c*unit_cell:  lattice:  - [     5.255909560000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.141224190000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.713793880000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.683822300000000,  0.408655830000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.683822300000000,  0.091344170000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.316177700000000,  0.591344170000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.316177700000000,  0.908655830000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.250109380000000,  0.616908530000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.250109380000000,  0.883091470000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.749890620000000,  0.383091470000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.749890620000000,  0.116908530000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.263834250000000,  0.213054270000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.263834250000000,  0.286945730000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.736165750000000,  0.786945730000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.736165750000000,  0.713054270000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.155507890000000,  0.100755880000000,  0.477217330000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.155507890000000,  0.399244120000000,  0.522782670000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.844492110000000,  0.899244120000000,  0.977217330000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.844492110000000,  0.600755880000000,  0.022782670000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.844492110000000,  0.899244120000000,  0.522782670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.844492110000000,  0.600755880000000,  0.477217330000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.155507890000000,  0.100755880000000,  0.022782670000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.155507890000000,  0.399244120000000,  0.977217330000000 ]    mass: 15.999400    reduced_to: 20  - symbol: Te # 21    coordinates: [  0.382559000000000,  0.250000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 21  - symbol: Te # 22    coordinates: [  0.617441000000000,  0.750000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 22  - symbol: Te # 23    coordinates: [  0.617441000000000,  0.750000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 23  - symbol: Te # 24    coordinates: [  0.382559000000000,  0.250000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 24  - symbol: U  # 25    coordinates: [  0.969099760000000,  0.513179490000000,  0.750000000000000 ]    mass: 238.028910    reduced_to: 25  - symbol: U  # 26    coordinates: [  0.969099760000000,  0.986820510000000,  0.250000000000000 ]    mass: 238.028910    reduced_to: 26  - symbol: U  # 27    coordinates: [  0.030900240000000,  0.486820510000000,  0.250000000000000 ]    mass: 238.028910    reduced_to: 27  - symbol: U  # 28    coordinates: [  0.030900240000000,  0.013179490000000,  0.750000000000000 ]    mass: 238.028910    reduced_to: 28supercell:  lattice:  - [    10.511819120000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.141224190000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.427587760000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.341911150000000,  0.408655830000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.841911150000000,  0.408655830000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.341911150000000,  0.408655830000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.841911150000000,  0.408655830000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.341911150000000,  0.091344170000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.841911150000000,  0.091344170000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.341911150000000,  0.091344170000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.841911150000000,  0.091344170000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.158088850000000,  0.591344170000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.658088850000000,  0.591344170000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.158088850000000,  0.591344170000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.658088850000000,  0.591344170000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.158088850000000,  0.908655830000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.658088850000000,  0.908655830000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.158088850000000,  0.908655830000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.658088850000000,  0.908655830000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.125054690000000,  0.616908530000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.625054690000000,  0.616908530000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.125054690000000,  0.616908530000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 20    coordinates: [  0.625054690000000,  0.616908530000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 21    coordinates: [  0.125054690000000,  0.883091470000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.625054690000000,  0.883091470000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.125054690000000,  0.883091470000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 24    coordinates: [  0.625054690000000,  0.883091470000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.374945310000000,  0.383091470000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.874945310000000,  0.383091470000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.374945310000000,  0.383091470000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.874945310000000,  0.383091470000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.374945310000000,  0.116908530000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.874945310000000,  0.116908530000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.374945310000000,  0.116908530000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 32    coordinates: [  0.874945310000000,  0.116908530000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 33    coordinates: [  0.131917125000000,  0.213054270000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.631917125000000,  0.213054270000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.131917125000000,  0.213054270000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.631917125000000,  0.213054270000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.131917125000000,  0.286945730000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.631917125000000,  0.286945730000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.131917125000000,  0.286945730000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.631917125000000,  0.286945730000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.368082875000000,  0.786945730000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.868082875000000,  0.786945730000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.368082875000000,  0.786945730000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 44    coordinates: [  0.868082875000000,  0.786945730000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 45    coordinates: [  0.368082875000000,  0.713054270000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.868082875000000,  0.713054270000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.368082875000000,  0.713054270000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 48    coordinates: [  0.868082875000000,  0.713054270000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 49    coordinates: [  0.077753945000000,  0.100755880000000,  0.238608665000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.577753945000000,  0.100755880000000,  0.238608665000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.077753945000000,  0.100755880000000,  0.738608665000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.577753945000000,  0.100755880000000,  0.738608665000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.077753945000000,  0.399244120000000,  0.261391335000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.577753945000000,  0.399244120000000,  0.261391335000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.077753945000000,  0.399244120000000,  0.761391335000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 56    coordinates: [  0.577753945000000,  0.399244120000000,  0.761391335000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 57    coordinates: [  0.422246055000000,  0.899244120000000,  0.488608665000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.922246055000000,  0.899244120000000,  0.488608665000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.422246055000000,  0.899244120000000,  0.988608665000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 60    coordinates: [  0.922246055000000,  0.899244120000000,  0.988608665000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 61    coordinates: [  0.422246055000000,  0.600755880000000,  0.011391335000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.922246055000000,  0.600755880000000,  0.011391335000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.422246055000000,  0.600755880000000,  0.511391335000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.922246055000000,  0.600755880000000,  0.511391335000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 65    coordinates: [  0.422246055000000,  0.899244120000000,  0.261391335000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.922246055000000,  0.899244120000000,  0.261391335000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.422246055000000,  0.899244120000000,  0.761391335000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.922246055000000,  0.899244120000000,  0.761391335000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.422246055000000,  0.600755880000000,  0.238608665000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.922246055000000,  0.600755880000000,  0.238608665000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 71    coordinates: [  0.422246055000000,  0.600755880000000,  0.738608665000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 72    coordinates: [  0.922246055000000,  0.600755880000000,  0.738608665000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 73    coordinates: [  0.077753945000000,  0.100755880000000,  0.011391335000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.577753945000000,  0.100755880000000,  0.011391335000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.077753945000000,  0.100755880000000,  0.511391335000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.577753945000000,  0.100755880000000,  0.511391335000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.077753945000000,  0.399244120000000,  0.488608665000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 78    coordinates: [  0.577753945000000,  0.399244120000000,  0.488608665000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 79    coordinates: [  0.077753945000000,  0.399244120000000,  0.988608665000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 80    coordinates: [  0.577753945000000,  0.399244120000000,  0.988608665000000 ]    mass: 15.999400    reduced_to: 77  - symbol: Te # 81    coordinates: [  0.191279500000000,  0.250000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 81  - symbol: Te # 82    coordinates: [  0.691279500000000,  0.250000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 81  - symbol: Te # 83    coordinates: [  0.191279500000000,  0.250000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 81  - symbol: Te # 84    coordinates: [  0.691279500000000,  0.250000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 81  - symbol: Te # 85    coordinates: [  0.308720500000000,  0.750000000000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 86    coordinates: [  0.808720500000000,  0.750000000000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 87    coordinates: [  0.308720500000000,  0.750000000000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 88    coordinates: [  0.808720500000000,  0.750000000000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 89    coordinates: [  0.308720500000000,  0.750000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 89  - symbol: Te # 90    coordinates: [  0.808720500000000,  0.750000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 89  - symbol: Te # 91    coordinates: [  0.308720500000000,  0.750000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 89  - symbol: Te # 92    coordinates: [  0.808720500000000,  0.750000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 89  - symbol: Te # 93    coordinates: [  0.191279500000000,  0.250000000000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 93  - symbol: Te # 94    coordinates: [  0.691279500000000,  0.250000000000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 93  - symbol: Te # 95    coordinates: [  0.191279500000000,  0.250000000000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 93  - symbol: Te # 96    coordinates: [  0.691279500000000,  0.250000000000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 93  - symbol: U  # 97    coordinates: [  0.484549880000000,  0.513179490000000,  0.375000000000000 ]    mass: 238.028910    reduced_to: 97  - symbol: U  # 98    coordinates: [  0.984549880000000,  0.513179490000000,  0.375000000000000 ]    mass: 238.028910    reduced_to: 97  - symbol: U  # 99    coordinates: [  0.484549880000000,  0.513179490000000,  0.875000000000000 ]    mass: 238.028910    reduced_to: 97  - symbol: U  # 100    coordinates: [  0.984549880000000,  0.513179490000000,  0.875000000000000 ]    mass: 238.028910    reduced_to: 97  - symbol: U  # 101    coordinates: [  0.484549880000000,  0.986820510000000,  0.125000000000000 ]    mass: 238.028910    reduced_to: 101  - symbol: U  # 102    coordinates: [  0.984549880000000,  0.986820510000000,  0.125000000000000 ]    mass: 238.028910    reduced_to: 101  - symbol: U  # 103    coordinates: [  0.484549880000000,  0.986820510000000,  0.625000000000000 ]    mass: 238.028910    reduced_to: 101  - symbol: U  # 104    coordinates: [  0.984549880000000,  0.986820510000000,  0.625000000000000 ]    mass: 238.028910    reduced_to: 101  - symbol: U  # 105    coordinates: [  0.015450120000000,  0.486820510000000,  0.125000000000000 ]    mass: 238.028910    reduced_to: 105  - symbol: U  # 106    coordinates: [  0.515450120000000,  0.486820510000000,  0.125000000000000 ]    mass: 238.028910    reduced_to: 105  - symbol: U  # 107    coordinates: [  0.015450120000000,  0.486820510000000,  0.625000000000000 ]    mass: 238.028910    reduced_to: 105  - symbol: U  # 108    coordinates: [  0.515450120000000,  0.486820510000000,  0.625000000000000 ]    mass: 238.028910    reduced_to: 105  - symbol: U  # 109    coordinates: [  0.015450120000000,  0.013179490000000,  0.375000000000000 ]    mass: 238.028910    reduced_to: 109  - symbol: U  # 110    coordinates: [  0.515450120000000,  0.013179490000000,  0.375000000000000 ]    mass: 238.028910    reduced_to: 109  - symbol: U  # 111    coordinates: [  0.015450120000000,  0.013179490000000,  0.875000000000000 ]    mass: 238.028910    reduced_to: 109  - symbol: U  # 112    coordinates: [  0.515450120000000,  0.013179490000000,  0.875000000000000 ]    mass: 238.028910    reduced_to: 109born_effective_charge:- # 1 (O)  - [ -2.734891980000000, -1.497774470000000,  0.000000000000000 ]  - [ -1.590207620000000, -1.939504470000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.060290780000000 ]- # 2 (O)  - [ -2.734891980000000,  1.497774470000000,  0.000000000000000 ]  - [  1.590207620000000, -1.939504470000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.060290780000000 ]- # 3 (O)  - [ -2.734891980000000, -1.497774470000000,  0.000000000000000 ]  - [ -1.590207620000000, -1.939504470000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.060290780000000 ]- # 4 (O)  - [ -2.734891980000000,  1.497774470000000,  0.000000000000000 ]  - [  1.590207620000000, -1.939504470000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.060290780000000 ]- # 5 (O)  - [ -2.460010010000000, -1.193506230000000,  0.000000000000000 ]  - [ -1.189650000000000, -1.507594680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.900042550000000 ]- # 6 (O)  - [ -2.460010010000000,  1.193506230000000,  0.000000000000000 ]  - [  1.189650000000000, -1.507594680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.900042550000000 ]- # 7 (O)  - [ -2.460010010000000, -1.193506230000000,  0.000000000000000 ]  - [ -1.189650000000000, -1.507594680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.900042550000000 ]- # 8 (O)  - [ -2.460010010000000,  1.193506230000000,  0.000000000000000 ]  - [  1.189650000000000, -1.507594680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.900042550000000 ]- # 9 (O)  - [ -1.438448650000000, -0.639824780000000,  0.000000000000000 ]  - [ -0.842985820000000, -2.219071680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -4.557524990000000 ]- # 10 (O)  - [ -1.438448650000000,  0.639824780000000,  0.000000000000000 ]  - [  0.842985820000000, -2.219071680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -4.557524990000000 ]- # 11 (O)  - [ -1.438448650000000, -0.639824780000000,  0.000000000000000 ]  - [ -0.842985820000000, -2.219071680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -4.557524990000000 ]- # 12 (O)  - [ -1.438448650000000,  0.639824780000000,  0.000000000000000 ]  - [  0.842985820000000, -2.219071680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -4.557524990000000 ]- # 13 (O)  - [ -1.502492740000000, -1.114194420000000, -0.303528710000000 ]  - [ -1.871885840000000, -2.788924770000000, -0.308682970000000 ]  - [ -0.329575790000000, -0.275659910000000, -3.176398640000000 ]- # 14 (O)  - [ -1.502492740000000,  1.114194420000000,  0.303528710000000 ]  - [  1.871885840000000, -2.788924770000000, -0.308682970000000 ]  - [  0.329575790000000, -0.275659910000000, -3.176398640000000 ]- # 15 (O)  - [ -1.502492740000000, -1.114194420000000,  0.303528710000000 ]  - [ -1.871885840000000, -2.788924770000000,  0.308682970000000 ]  - [  0.329575790000000,  0.275659910000000, -3.176398640000000 ]- # 16 (O)  - [ -1.502492740000000,  1.114194420000000, -0.303528710000000 ]  - [  1.871885840000000, -2.788924770000000,  0.308682970000000 ]  - [ -0.329575790000000,  0.275659910000000, -3.176398640000000 ]- # 17 (O)  - [ -1.502492740000000, -1.114194420000000, -0.303528710000000 ]  - [ -1.871885840000000, -2.788924770000000, -0.308682970000000 ]  - [ -0.329575790000000, -0.275659910000000, -3.176398640000000 ]- # 18 (O)  - [ -1.502492740000000,  1.114194420000000,  0.303528710000000 ]  - [  1.871885840000000, -2.788924770000000, -0.308682970000000 ]  - [  0.329575790000000, -0.275659910000000, -3.176398640000000 ]- # 19 (O)  - [ -1.502492740000000, -1.114194420000000,  0.303528710000000 ]  - [ -1.871885840000000, -2.788924770000000,  0.308682970000000 ]  - [  0.329575790000000,  0.275659910000000, -3.176398640000000 ]- # 20 (O)  - [ -1.502492740000000,  1.114194420000000, -0.303528710000000 ]  - [  1.871885840000000, -2.788924770000000,  0.308682970000000 ]  - [ -0.329575790000000,  0.275659910000000, -3.176398640000000 ]- # 21 (Te)  - [  3.820826010000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.935614230000000,  0.658867950000000 ]  - [  0.000000000000000,  0.678562980000000,  6.622679940000000 ]- # 22 (Te)  - [  3.820826010000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.935614230000000, -0.658867950000000 ]  - [  0.000000000000000, -0.678562980000000,  6.622679940000000 ]- # 23 (Te)  - [  3.820826010000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.935614230000000,  0.658867950000000 ]  - [  0.000000000000000,  0.678562980000000,  6.622679940000000 ]- # 24 (Te)  - [  3.820826010000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.935614230000000, -0.658867950000000 ]  - [  0.000000000000000, -0.678562980000000,  6.622679940000000 ]- # 25 (U)  - [  5.817510120000000,  0.340444810000000,  0.000000000000000 ]  - [  0.050072090000000,  6.308406130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  6.247975660000000 ]- # 26 (U)  - [  5.817510120000000, -0.340444810000000,  0.000000000000000 ]  - [ -0.050072090000000,  6.308406130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  6.247975660000000 ]- # 27 (U)  - [  5.817510120000000,  0.340444810000000,  0.000000000000000 ]  - [  0.050072090000000,  6.308406130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  6.247975660000000 ]- # 28 (U)  - [  5.817510120000000, -0.340444810000000,  0.000000000000000 ]  - [ -0.050072090000000,  6.308406130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  6.247975660000000 ]dielectric_constant:  - [  4.595517000000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  5.372260300000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.810567610000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.2431116900000000, -0.1543427900000000,  0.0000000000000000 ]  - [   0.0057331600000000,  0.0028658100000000,  0.0000000000000000 ]  - [   0.0008685800000000,  0.0007149000000000,  0.0000000000000000 ]  - [   0.0024172400000000,  0.0017281400000000,  0.0000000000000000 ]  - [  -0.0006059100000000,  0.0004680800000000,  0.0008317000000000 ]  - [   0.0030175100000000, -0.0020351000000000, -0.0000822700000000 ]  - [  -0.0006059100000000,  0.0004680800000000, -0.0008317000000000 ]  - [   0.0030175100000000, -0.0020351000000000,  0.0000822700000000 ]  - [  -0.0030228400000000, -0.0024113300000000,  0.0001353200000000 ]  - [  -0.0006022000000000, -0.0004729300000000, -0.0005387200000000 ]  - [  -0.0030228400000000, -0.0024113300000000, -0.0001353200000000 ]  - [  -0.0006022000000000, -0.0004729300000000,  0.0005387200000000 ]  - [  -0.0040430500000000,  0.0033031100000000,  0.0000000000000000 ]  - [  -0.0018567300000000,  0.0022629500000000,  0.0000000000000000 ]  - [  -0.0021281200000000,  0.0016189500000000,  0.0000000000000000 ]  - 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[   0.0044620900000000, -0.0033259900000000,  0.0000000000000000 ]  - [   0.0017211400000000, -0.0026251100000000,  0.0000000000000000 ]  - [   0.0021166900000000, -0.0029165800000000,  0.0000000000000000 ]  - [   0.0059826200000000,  0.0057137800000000,  0.0006988900000000 ]  - [  -0.0003492300000000, -0.0008268700000000, -0.0007744900000000 ]  - [   0.0010048600000000,  0.0012415500000000, -0.0009365500000000 ]  - [   0.0007475100000000,  0.0004526400000000, -0.0002536000000000 ]  - [   0.0052830600000000, -0.0018334500000000,  0.0042671100000000 ]  - [   0.0087396500000000, -0.0091556200000000, -0.0108067000000000 ]  - [   0.0009871400000000, -0.0012692300000000, -0.0007315500000000 ]  - [   0.0010466600000000, -0.0010075000000000,  0.0012603900000000 ]  - [  -0.0003194700000000,  0.0008259300000000, -0.0000484600000000 ]  - [   0.0006133300000000,  0.0006693900000000, -0.0013333800000000 ]  - [  -0.0008542100000000, -0.0005529500000000, -0.0008090400000000 ]  - [  -0.0005949400000000, -0.0005140200000000, -0.0003729500000000 ]  - [  -0.0013482500000000,  0.0011190000000000, -0.0001870400000000 ]  - [  -0.0003598800000000,  0.0003034900000000,  0.0009260200000000 ]  - [  -0.0077429300000000,  0.0039671600000000,  0.0097944000000000 ]  - [   0.0005458900000000, -0.0004473200000000,  0.0001895600000000 ]  - [  -0.0003194700000000,  0.0008259300000000,  0.0000484600000000 ]  - [   0.0006133300000000,  0.0006693900000000,  0.0013333800000000 ]  - [  -0.0008542100000000, -0.0005529500000000,  0.0008090400000000 ]  - [  -0.0005949400000000, -0.0005140200000000,  0.0003729500000000 ]  - [  -0.0077429300000000,  0.0039671600000000, -0.0097944000000000 ]  - [   0.0005458900000000, -0.0004473200000000, -0.0001895600000000 ]  - [  -0.0013482500000000,  0.0011190000000000,  0.0001870400000000 ]  - [  -0.0003598800000000,  0.0003034900000000, -0.0009260200000000 ]  - [   0.0010048600000000,  0.0012415500000000,  0.0009365500000000 ]  - [   0.0007475100000000,  0.0004526400000000,  0.0002536000000000 ]  - [   0.0059826200000000,  0.0057137800000000, -0.0006988900000000 ]  - [  -0.0003492300000000, -0.0008268700000000,  0.0007744900000000 ]  - [   0.0052830600000000, -0.0018334500000000, -0.0042671100000000 ]  - [   0.0087396500000000, -0.0091556200000000,  0.0108067000000000 ]  - [   0.0009871400000000, -0.0012692300000000,  0.0007315500000000 ]  - [   0.0010466600000000, -0.0010075000000000, -0.0012603900000000 ]  - [   0.0017638200000000, -0.0006149000000000, -0.0024036300000000 ]  - [  -0.0002900700000000,  0.0004841700000000,  0.0011834900000000 ]  - [  -0.0096301900000000, -0.0099118800000000,  0.0157211000000000 ]  - [  -0.0040496800000000,  0.0059993900000000, -0.0008761900000000 ]  - [   0.0036608200000000, -0.0027945900000000,  0.0023797600000000 ]  - [  -0.0043567600000000, -0.0011376500000000,  0.0014277300000000 ]  - [   0.0005066900000000, -0.0000709300000000, -0.0008347200000000 ]  - [  -0.0013355000000000,  0.0000470600000000, -0.0002015400000000 ]  - [   0.0005066900000000, -0.0000709300000000,  0.0008347200000000 ]  - [  -0.0013355000000000,  0.0000470600000000,  0.0002015400000000 ]  - [   0.0036608200000000, -0.0027945900000000, -0.0023797600000000 ]  - [  -0.0043567600000000, -0.0011376500000000, -0.0014277300000000 ]  - [  -0.0096301900000000, -0.0099118800000000, -0.0157211000000000 ]  - [  -0.0040496800000000,  0.0059993900000000,  0.0008761900000000 ]  - [   0.0017638200000000, -0.0006149000000000,  0.0024036300000000 ]  - [  -0.0002900700000000,  0.0004841700000000, -0.0011834900000000 ]  - [   0.2597628300000000,  0.1692766600000000,  0.0000000000000000 ]  - [  -0.0172647500000000,  0.0045702000000000,  0.0000000000000000 ]  - [  -0.0025400600000000,  0.0027108100000000,  0.0000000000000000 ]  - [  -0.0038068000000000,  0.0031225200000000,  0.0000000000000000 ]  - [  -0.0014562800000000, -0.0041183300000000,  0.0010450900000000 ]  - [  -0.0047971000000000, -0.0045372500000000, -0.0025041800000000 ]  - [  -0.0014562800000000, -0.0041183300000000, -0.0010450900000000 ]  - [  -0.0047971000000000, -0.0045372500000000,  0.0025041800000000 ]  - [   0.0011819900000000,  0.0001934800000000, -0.0030933300000000 ]  - 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