# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8fe3e615-ea8f-4312-9b64-0c24fa087387/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 Ta2O5 / C2/c (15) / materials id 10390](https://mdr.nims.go.jp/datasets/33e4c2f3-ffbe-4bf7-a32e-82369b4be76b)

## 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: "C2/c"  number: 15  Hall_symbol: "-C 2yc"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.414819450000000,    -2.435636860000000,     0.020907830000000 ] # a  - [     7.414819450000000,     2.435636860000000,     0.020907830000000 ] # b  - [    -3.003178820000000,     0.000000000000000,     4.641948850000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.865886390000000,  0.723641150000000,  0.717540740000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.276358850000000,  0.134113610000000,  0.782459260000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.134113610000000,  0.276358850000000,  0.282459260000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.723641150000000,  0.865886390000000,  0.217540740000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.102237630000000,  0.897762370000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.897762370000000,  0.102237630000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.442187100000000,  0.336392820000000,  0.755955640000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.663607180000000,  0.557812900000000,  0.744044360000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.557812900000000,  0.663607180000000,  0.244044360000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.336392820000000,  0.442187100000000,  0.255955640000000 ]    mass: 15.999400  - symbol: Ta # 11    coordinates: [  0.895379820000000,  0.385824300000000,  0.512561960000000 ]    mass: 180.947880  - symbol: Ta # 12    coordinates: [  0.614175700000000,  0.104620180000000,  0.987438040000000 ]    mass: 180.947880  - symbol: Ta # 13    coordinates: [  0.104620180000000,  0.614175700000000,  0.487438040000000 ]    mass: 180.947880  - symbol: Ta # 14    coordinates: [  0.385824300000000,  0.895379820000000,  0.012561960000000 ]    mass: 180.947880  reciprocal_lattice: # without 2pi  - [     0.067309734120383,    -0.205285117913678,     0.043547047678082 ] # a*  - [     0.067309734120383,     0.205285117913678,     0.043547047678082 ] # b*  - [    -0.000606340364278,     0.000000000000000,     0.215034478775071 ] # c*unit_cell:  lattice:  - [    14.829638900000001,     0.000000000000000,     0.041815660000000 ] # a  - [     0.000000000000000,     4.871273720000000,     0.000000000000000 ] # b  - [    -3.003178820000000,     0.000000000000000,     4.641948850000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.294763770000000,  0.428877380000000,  0.717540740000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.205236230000000,  0.928877380000000,  0.782459260000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.205236230000000,  0.071122620000000,  0.282459260000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.294763770000000,  0.571122620000000,  0.217540740000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.397762370000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.500000000000000,  0.602237630000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.389289960000000,  0.947102860000000,  0.755955640000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.110710040000000,  0.447102860000000,  0.744044360000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.110710040000000,  0.552897140000000,  0.244044360000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.389289960000000,  0.052897140000000,  0.255955640000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.794763770000000,  0.928877380000000,  0.717540740000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.705236230000000,  0.428877380000000,  0.782459260000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 13    coordinates: [  0.705236230000000,  0.571122620000000,  0.282459260000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 14    coordinates: [  0.794763770000000,  0.071122620000000,  0.217540740000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 15    coordinates: [  0.000000000000000,  0.897762370000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 16    coordinates: [  0.000000000000000,  0.102237630000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 17    coordinates: [  0.889289960000000,  0.447102860000000,  0.755955640000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 18    coordinates: [  0.610710040000000,  0.947102860000000,  0.744044360000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 19    coordinates: [  0.610710040000000,  0.052897140000000,  0.244044360000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 20    coordinates: [  0.889289960000000,  0.552897140000000,  0.255955640000000 ]    mass: 15.999400    reduced_to: 10  - symbol: Ta # 21    coordinates: [  0.140602060000000,  0.245222240000000,  0.512561960000000 ]    mass: 180.947880    reduced_to: 21  - symbol: Ta # 22    coordinates: [  0.359397940000000,  0.745222240000000,  0.987438040000000 ]    mass: 180.947880    reduced_to: 22  - symbol: Ta # 23    coordinates: [  0.359397940000000,  0.254777760000000,  0.487438040000000 ]    mass: 180.947880    reduced_to: 23  - symbol: Ta # 24    coordinates: [  0.140602060000000,  0.754777760000000,  0.012561960000000 ]    mass: 180.947880    reduced_to: 24  - symbol: Ta # 25    coordinates: [  0.640602060000000,  0.745222240000000,  0.512561960000000 ]    mass: 180.947880    reduced_to: 21  - symbol: Ta # 26    coordinates: [  0.859397940000000,  0.245222240000000,  0.987438040000000 ]    mass: 180.947880    reduced_to: 22  - symbol: Ta # 27    coordinates: [  0.859397940000000,  0.754777760000000,  0.487438040000000 ]    mass: 180.947880    reduced_to: 23  - symbol: Ta # 28    coordinates: [  0.640602060000000,  0.254777760000000,  0.012561960000000 ]    mass: 180.947880    reduced_to: 24supercell:  lattice:  - [    14.829638900000001,     0.000000000000000,     0.041815660000000 ] # a  - [     0.000000000000000,     9.742547439999999,     0.000000000000000 ] # b  - [    -6.006357640000000,     0.000000000000000,     9.283897700000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.294763770000000,  0.214438690000000,  0.358770370000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.294763770000000,  0.714438690000000,  0.358770370000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.294763770000000,  0.214438690000000,  0.858770370000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.294763770000000,  0.714438690000000,  0.858770370000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.205236230000000,  0.464438690000000,  0.391229630000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.205236230000000,  0.964438690000000,  0.391229630000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.205236230000000,  0.464438690000000,  0.891229630000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.205236230000000,  0.964438690000000,  0.891229630000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.205236230000000,  0.035561310000000,  0.141229630000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.205236230000000,  0.535561310000000,  0.141229630000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.205236230000000,  0.035561310000000,  0.641229630000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.205236230000000,  0.535561310000000,  0.641229630000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.294763770000000,  0.285561310000000,  0.108770370000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.294763770000000,  0.785561310000000,  0.108770370000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.294763770000000,  0.285561310000000,  0.608770370000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.294763770000000,  0.785561310000000,  0.608770370000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.500000000000000,  0.198881185000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.500000000000000,  0.698881185000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.500000000000000,  0.198881185000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 20    coordinates: [  0.500000000000000,  0.698881185000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 21    coordinates: [  0.500000000000000,  0.301118815000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.801118815000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.500000000000000,  0.301118815000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.801118815000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.389289960000000,  0.473551430000000,  0.377977820000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.389289960000000,  0.973551430000000,  0.377977820000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.389289960000000,  0.473551430000000,  0.877977820000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.389289960000000,  0.973551430000000,  0.877977820000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.110710040000000,  0.223551430000000,  0.372022180000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.110710040000000,  0.723551430000000,  0.372022180000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.110710040000000,  0.223551430000000,  0.872022180000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 32    coordinates: [  0.110710040000000,  0.723551430000000,  0.872022180000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 33    coordinates: [  0.110710040000000,  0.276448570000000,  0.122022180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.110710040000000,  0.776448570000000,  0.122022180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.110710040000000,  0.276448570000000,  0.622022180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.110710040000000,  0.776448570000000,  0.622022180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.389289960000000,  0.026448570000000,  0.127977820000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.389289960000000,  0.526448570000000,  0.127977820000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.389289960000000,  0.026448570000000,  0.627977820000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.389289960000000,  0.526448570000000,  0.627977820000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.794763770000000,  0.464438690000000,  0.358770370000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 42    coordinates: [  0.794763770000000,  0.964438690000000,  0.358770370000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 43    coordinates: [  0.794763770000000,  0.464438690000000,  0.858770370000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 44    coordinates: [  0.794763770000000,  0.964438690000000,  0.858770370000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 45    coordinates: [  0.705236230000000,  0.214438690000000,  0.391229630000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 46    coordinates: [  0.705236230000000,  0.714438690000000,  0.391229630000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 47    coordinates: [  0.705236230000000,  0.214438690000000,  0.891229630000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 48    coordinates: [  0.705236230000000,  0.714438690000000,  0.891229630000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 49    coordinates: [  0.705236230000000,  0.285561310000000,  0.141229630000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 50    coordinates: [  0.705236230000000,  0.785561310000000,  0.141229630000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 51    coordinates: [  0.705236230000000,  0.285561310000000,  0.641229630000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 52    coordinates: [  0.705236230000000,  0.785561310000000,  0.641229630000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 53    coordinates: [  0.794763770000000,  0.035561310000000,  0.108770370000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 54    coordinates: [  0.794763770000000,  0.535561310000000,  0.108770370000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 55    coordinates: [  0.794763770000000,  0.035561310000000,  0.608770370000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 56    coordinates: [  0.794763770000000,  0.535561310000000,  0.608770370000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 57    coordinates: [  0.000000000000000,  0.448881185000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 58    coordinates: [  0.000000000000000,  0.948881185000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 59    coordinates: [  0.000000000000000,  0.448881185000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 60    coordinates: [  0.000000000000000,  0.948881185000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 61    coordinates: [  0.000000000000000,  0.051118815000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 62    coordinates: [  0.000000000000000,  0.551118815000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 63    coordinates: [  0.000000000000000,  0.051118815000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 64    coordinates: [  0.000000000000000,  0.551118815000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 65    coordinates: [  0.889289960000000,  0.223551430000000,  0.377977820000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 66    coordinates: [  0.889289960000000,  0.723551430000000,  0.377977820000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 67    coordinates: [  0.889289960000000,  0.223551430000000,  0.877977820000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 68    coordinates: [  0.889289960000000,  0.723551430000000,  0.877977820000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 69    coordinates: [  0.610710040000000,  0.473551430000000,  0.372022180000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 70    coordinates: [  0.610710040000000,  0.973551430000000,  0.372022180000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 71    coordinates: [  0.610710040000000,  0.473551430000000,  0.872022180000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 72    coordinates: [  0.610710040000000,  0.973551430000000,  0.872022180000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 73    coordinates: [  0.610710040000000,  0.026448570000000,  0.122022180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 74    coordinates: [  0.610710040000000,  0.526448570000000,  0.122022180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 75    coordinates: [  0.610710040000000,  0.026448570000000,  0.622022180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 76    coordinates: [  0.610710040000000,  0.526448570000000,  0.622022180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 77    coordinates: [  0.889289960000000,  0.276448570000000,  0.127977820000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 78    coordinates: [  0.889289960000000,  0.776448570000000,  0.127977820000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 79    coordinates: [  0.889289960000000,  0.276448570000000,  0.627977820000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 80    coordinates: [  0.889289960000000,  0.776448570000000,  0.627977820000000 ]    mass: 15.999400    reduced_to: 37  - symbol: Ta # 81    coordinates: [  0.140602060000000,  0.122611120000000,  0.256280980000000 ]    mass: 180.947880    reduced_to: 81  - symbol: Ta # 82    coordinates: [  0.140602060000000,  0.622611120000000,  0.256280980000000 ]    mass: 180.947880    reduced_to: 81  - symbol: Ta # 83    coordinates: [  0.140602060000000,  0.122611120000000,  0.756280980000000 ]    mass: 180.947880    reduced_to: 81  - symbol: Ta # 84    coordinates: [  0.140602060000000,  0.622611120000000,  0.756280980000000 ]    mass: 180.947880    reduced_to: 81  - symbol: Ta # 85    coordinates: [  0.359397940000000,  0.372611120000000,  0.493719020000000 ]    mass: 180.947880    reduced_to: 85  - symbol: Ta # 86    coordinates: [  0.359397940000000,  0.872611120000000,  0.493719020000000 ]    mass: 180.947880    reduced_to: 85  - symbol: Ta # 87    coordinates: [  0.359397940000000,  0.372611120000000,  0.993719020000000 ]    mass: 180.947880    reduced_to: 85  - symbol: Ta # 88    coordinates: [  0.359397940000000,  0.872611120000000,  0.993719020000000 ]    mass: 180.947880    reduced_to: 85  - symbol: Ta # 89    coordinates: [  0.359397940000000,  0.127388880000000,  0.243719020000000 ]    mass: 180.947880    reduced_to: 89  - symbol: Ta # 90    coordinates: [  0.359397940000000,  0.627388880000000,  0.243719020000000 ]    mass: 180.947880    reduced_to: 89  - symbol: Ta # 91    coordinates: [  0.359397940000000,  0.127388880000000,  0.743719020000000 ]    mass: 180.947880    reduced_to: 89  - symbol: Ta # 92    coordinates: [  0.359397940000000,  0.627388880000000,  0.743719020000000 ]    mass: 180.947880    reduced_to: 89  - symbol: Ta # 93    coordinates: [  0.140602060000000,  0.377388880000000,  0.006280980000000 ]    mass: 180.947880    reduced_to: 93  - symbol: Ta # 94    coordinates: [  0.140602060000000,  0.877388880000000,  0.006280980000000 ]    mass: 180.947880    reduced_to: 93  - symbol: Ta # 95    coordinates: [  0.140602060000000,  0.377388880000000,  0.506280980000000 ]    mass: 180.947880    reduced_to: 93  - symbol: Ta # 96    coordinates: [  0.140602060000000,  0.877388880000000,  0.506280980000000 ]    mass: 180.947880    reduced_to: 93  - symbol: Ta # 97    coordinates: [  0.640602060000000,  0.372611120000000,  0.256280980000000 ]    mass: 180.947880    reduced_to: 81  - symbol: Ta # 98    coordinates: [  0.640602060000000,  0.872611120000000,  0.256280980000000 ]    mass: 180.947880    reduced_to: 81  - symbol: Ta # 99    coordinates: [  0.640602060000000,  0.372611120000000,  0.756280980000000 ]    mass: 180.947880    reduced_to: 81  - symbol: Ta # 100    coordinates: [  0.640602060000000,  0.872611120000000,  0.756280980000000 ]    mass: 180.947880    reduced_to: 81  - symbol: Ta # 101    coordinates: [  0.859397940000000,  0.122611120000000,  0.493719020000000 ]    mass: 180.947880    reduced_to: 85  - symbol: Ta # 102    coordinates: [  0.859397940000000,  0.622611120000000,  0.493719020000000 ]    mass: 180.947880    reduced_to: 85  - symbol: Ta # 103    coordinates: [  0.859397940000000,  0.122611120000000,  0.993719020000000 ]    mass: 180.947880    reduced_to: 85  - symbol: Ta # 104    coordinates: [  0.859397940000000,  0.622611120000000,  0.993719020000000 ]    mass: 180.947880    reduced_to: 85  - symbol: Ta # 105    coordinates: [  0.859397940000000,  0.377388880000000,  0.243719020000000 ]    mass: 180.947880    reduced_to: 89  - symbol: Ta # 106    coordinates: [  0.859397940000000,  0.877388880000000,  0.243719020000000 ]    mass: 180.947880    reduced_to: 89  - symbol: Ta # 107    coordinates: [  0.859397940000000,  0.377388880000000,  0.743719020000000 ]    mass: 180.947880    reduced_to: 89  - symbol: Ta # 108    coordinates: [  0.859397940000000,  0.877388880000000,  0.743719020000000 ]    mass: 180.947880    reduced_to: 89  - symbol: Ta # 109    coordinates: [  0.640602060000000,  0.127388880000000,  0.006280980000000 ]    mass: 180.947880    reduced_to: 93  - symbol: Ta # 110    coordinates: [  0.640602060000000,  0.627388880000000,  0.006280980000000 ]    mass: 180.947880    reduced_to: 93  - symbol: Ta # 111    coordinates: [  0.640602060000000,  0.127388880000000,  0.506280980000000 ]    mass: 180.947880    reduced_to: 93  - symbol: Ta # 112    coordinates: [  0.640602060000000,  0.627388880000000,  0.506280980000000 ]    mass: 180.947880    reduced_to: 93born_effective_charge:- # 1 (O)  - [ -2.766596470000000, -0.292924060000000,  0.036796390000000 ]  - [  0.244390920000000, -3.332058890000000, -1.885836270000000 ]  - [ -0.251051310000000, -1.802641810000000, -3.021568360000000 ]- # 2 (O)  - [ -2.766596470000000,  0.292924060000000,  0.036796390000000 ]  - [ -0.244390920000000, -3.332058890000000,  1.885836270000000 ]  - [ -0.251051310000000,  1.802641810000000, -3.021568360000000 ]- # 3 (O)  - [ -2.766596470000000, -0.292924060000000,  0.036796390000000 ]  - [  0.244390920000000, -3.332058890000000, -1.885836270000000 ]  - [ -0.251051310000000, -1.802641810000000, -3.021568360000000 ]- # 4 (O)  - [ -2.766596470000000,  0.292924060000000,  0.036796390000000 ]  - [ -0.244390920000000, -3.332058890000000,  1.885836270000000 ]  - [ -0.251051310000000,  1.802641810000000, -3.021568360000000 ]- # 5 (O)  - [ -3.650675650000000,  0.000000000000000, -2.508335520000000 ]  - [ -0.000000000000000, -1.419361180000000, -0.000000000000000 ]  - [ -2.535239630000000,  0.000000000000000, -3.577754660000000 ]- # 6 (O)  - [ -3.650675650000000,  0.000000000000000, -2.508335520000000 ]  - [ -0.000000000000000, -1.419361180000000, -0.000000000000000 ]  - [ -2.535239630000000,  0.000000000000000, -3.577754660000000 ]- # 7 (O)  - [ -1.993990000000000, -1.263946380000000,  1.252260980000000 ]  - [ -1.147329400000000, -2.970280730000000,  1.699769260000000 ]  - [  1.505723760000000,  2.303527800000000, -3.334085590000000 ]- # 8 (O)  - [ -1.993990000000000,  1.263946380000000,  1.252260980000000 ]  - [  1.147329400000000, -2.970280730000000, -1.699769260000000 ]  - [  1.505723760000000, -2.303527800000000, -3.334085590000000 ]- # 9 (O)  - [ -1.993990000000000, -1.263946380000000,  1.252260980000000 ]  - [ -1.147329400000000, -2.970280730000000,  1.699769260000000 ]  - [  1.505723760000000,  2.303527800000000, -3.334085590000000 ]- # 10 (O)  - [ -1.993990000000000,  1.263946380000000,  1.252260980000000 ]  - [  1.147329400000000, -2.970280730000000, -1.699769260000000 ]  - [  1.505723760000000, -2.303527800000000, -3.334085590000000 ]- # 11 (Ta)  - [  6.585924300000000,  0.893984350000000, -0.034889610000000 ]  - [ -0.816858690000000,  7.012020210000000, -0.269439840000000 ]  - [  0.012947370000000, -0.398117060000000,  8.144531280000001 ]- # 12 (Ta)  - [  6.585924300000000, -0.893984350000000, -0.034889610000000 ]  - [  0.816858690000000,  7.012020210000000,  0.269439840000000 ]  - [  0.012947370000000,  0.398117060000000,  8.144531280000001 ]- # 13 (Ta)  - [  6.585924300000000,  0.893984350000000, -0.034889610000000 ]  - [ -0.816858690000000,  7.012020210000000, -0.269439840000000 ]  - [  0.012947370000000, -0.398117060000000,  8.144531280000001 ]- # 14 (Ta)  - [  6.585924300000000, -0.893984350000000, -0.034889610000000 ]  - [  0.816858690000000,  7.012020210000000,  0.269439840000000 ]  - [  0.012947370000000,  0.398117060000000,  8.144531280000001 ]dielectric_constant:  - [  5.320593870000000,  0.000000000000000, -0.014815260000000 ]  - [  0.000000000000000,  5.536168620000000,  0.000000000000000 ]  - [ -0.014814470000000,  0.000000000000000,  6.400700770000000 ]displacements:- atom:    1  displacement:    [   0.0099999602456942,  0.0000000000000000,  0.0000281972434034 ]  forces:  - [  -0.1228084300000000, -0.0072402200000000, -0.0082093300000000 ]  - [  -0.0025951600000000, -0.0015860100000000, -0.0017149100000000 ]  - [   0.0000586000000000, -0.0013832000000000, -0.0032353500000000 ]  - [  -0.0014375200000000, -0.0035600900000000, -0.0036216200000000 ]  - [   0.0005777600000000, -0.0075219400000000, -0.0003761200000000 ]  - [   0.0005388300000000,  0.0130968900000000, -0.0061368400000000 ]  - [  -0.0023707000000000, -0.0003857600000000,  0.0001526000000000 ]  - [  -0.0023766900000000,  0.0004606400000000, -0.0016854200000000 ]  - [  -0.0102229400000000,  0.0012147700000000,  0.0015411900000000 ]  - [  -0.0026707400000000, -0.0009469600000000, -0.0005583000000000 ]  - [  -0.0005245400000000,  0.0006726700000000, -0.0010372600000000 ]  - [  -0.0007947300000000, -0.0026518900000000, -0.0026758500000000 ]  - [   0.0011343100000000,  0.0088569300000000, -0.0137348300000000 ]  - [  -0.0018594600000000,  0.0002009400000000, -0.0014311600000000 ]  - [   0.0011652600000000, -0.0001295100000000, -0.0081912200000000 ]  - [  -0.0018498100000000,  0.0017338200000000, -0.0018865900000000 ]  - [   0.0173462700000000, -0.0036662700000000,  0.0064952000000000 ]  - [   0.0009877600000000, -0.0009725500000000,  0.0005466900000000 ]  - [  -0.0001170800000000, -0.0006274000000000, -0.0003610600000000 ]  - [   0.0003867400000000, -0.0007383300000000,  0.0002895000000000 ]  - [   0.0009899600000000,  0.0013519900000000, -0.0001398400000000 ]  - [   0.0017678100000000, -0.0000577400000000,  0.0007431500000000 ]  - [   0.0023293000000000,  0.0046699200000000,  0.0053284100000000 ]  - [   0.0002729000000000,  0.0007916900000000,  0.0009325300000000 ]  - [   0.0006552300000000,  0.0095385600000000,  0.0011346800000000 ]  - [  -0.0026091900000000, -0.0182435100000000,  0.0068967000000000 ]  - [   0.0010410800000000,  0.0011771300000000, -0.0018927800000000 ]  - [   0.0021540400000000,  0.0022740200000000, -0.0036509400000000 ]  - [   0.0175520100000000, -0.0061647400000000, -0.0054998100000000 ]  - [  -0.0004903900000000,  0.0009067000000000,  0.0004708600000000 ]  - [  -0.0019643500000000,  0.0010159600000000,  0.0003770600000000 ]  - [  -0.0007572400000000, -0.0001894600000000, -0.0002522500000000 ]  - [  -0.0033407500000000, -0.0120845900000000,  0.0224599900000000 ]  - [  -0.0017615700000000, -0.0009357700000000,  0.0010495900000000 ]  - [   0.0010729000000000,  0.0016085100000000, -0.0028500600000000 ]  - [   0.0002906200000000,  0.0011223400000000, -0.0013601800000000 ]  - [   0.0162124400000000, -0.0222479400000000, -0.0221947700000000 ]  - [   0.0008624900000000, -0.0000266300000000, -0.0012240000000000 ]  - [  -0.0010685000000000,  0.0008945200000000, -0.0004482400000000 ]  - [  -0.0007791900000000,  0.0057003300000000,  0.0050355000000000 ]  - [   0.0016233900000000, -0.0007327800000000, -0.0007049100000000 ]  - [   0.0016269300000000, -0.0003225700000000, -0.0004727400000000 ]  - [   0.0014303800000000, -0.0003239800000000,  0.0002383800000000 ]  - [   0.0014348500000000,  0.0014049600000000,  0.0022507700000000 ]  - [   0.0019392700000000, -0.0006415000000000,  0.0009446400000000 ]  - [   0.0006816400000000, -0.0014834400000000,  0.0014069800000000 ]  - [   0.0029184100000000, -0.0027442400000000,  0.0030093700000000 ]  - [   0.0006398200000000, -0.0012873300000000,  0.0014987500000000 ]  - [   0.0012675700000000,  0.0011098600000000,  0.0009864400000000 ]  - [   0.0011383700000000,  0.0010295900000000,  0.0009274900000000 ]  - [   0.0015501400000000,  0.0026823400000000,  0.0033600200000000 ]  - [   0.0004764900000000,  0.0010983000000000,  0.0015719600000000 ]  - [   0.0022790600000000,  0.0010264900000000, -0.0007056400000000 ]  - [   0.0011481100000000, -0.0001216700000000,  0.0002153100000000 ]  - [   0.0022900300000000, -0.0003218400000000,  0.0004796200000000 ]  - [   0.0011476300000000, -0.0000376500000000,  0.0001644000000000 ]  - [   0.0025573900000000, -0.0018505100000000,  0.0014527900000000 ]  - [   0.0011507500000000,  0.0002066600000000, -0.0000725600000000 ]  - [   0.0010412100000000, -0.0011048000000000,  0.0017221500000000 ]  - [  -0.0004610000000000, -0.0001372200000000,  0.0004205900000000 ]  - [   0.0225038400000000,  0.0055524800000000,  0.0243037400000000 ]  - [   0.0006115000000000,  0.0000502900000000,  0.0007366200000000 ]  - [   0.0004229700000000,  0.0008148200000000,  0.0000225700000000 ]  - [   0.0001164300000000,  0.0003635800000000, -0.0002022000000000 ]  - [   0.0019196500000000,  0.0010960100000000, -0.0010993100000000 ]  - [   0.0011968800000000,  0.0006134400000000, -0.0006498000000000 ]  - [  -0.0002390500000000, -0.0020934000000000,  0.0027707600000000 ]  - [   0.0004193200000000,  0.0000030900000000,  0.0002696400000000 ]  - [   0.0000986200000000,  0.0004908700000000,  0.0004386800000000 ]  - [   0.0015093000000000, -0.0016191100000000, -0.0003079400000000 ]  - [  -0.0005358500000000,  0.0007658300000000,  0.0013124000000000 ]  - [  -0.0005373300000000,  0.0008148300000000,  0.0011476900000000 ]  - [   0.0007665300000000,  0.0005927200000000, -0.0004140900000000 ]  - [   0.0000244100000000, -0.0000820000000000,  0.0002612300000000 ]  - [  -0.0013200800000000, -0.0027599600000000,  0.0030757300000000 ]  - [  -0.0002729800000000, -0.0003487500000000,  0.0008898500000000 ]  - [   0.0025148300000000, -0.0020094000000000, -0.0009988900000000 ]  - [   0.0009694300000000,  0.0002578800000000, -0.0000981900000000 ]  - [   0.0005965300000000,  0.0001957000000000,  0.0003661000000000 ]  - [   0.0006420700000000, -0.0002054700000000, -0.0000528400000000 ]  - [   0.0166342900000000, -0.0011273300000000, -0.0171222100000000 ]  - [   0.0025854900000000,  0.0032500100000000, -0.0020394700000000 ]  - [   0.0005419100000000, -0.0030575500000000,  0.0037059000000000 ]  - [   0.0004583500000000,  0.0007986400000000,  0.0027041600000000 ]  - [   0.0191505100000000,  0.0040041200000000,  0.0010375900000000 ]  - [   0.0134420500000000,  0.0015048100000000, -0.0027774500000000 ]  - [  -0.0020691400000000, -0.0025655600000000,  0.0054860700000000 ]  - [   0.0002945000000000,  0.0086569800000000,  0.0100279700000000 ]  - [   0.0212715300000000,  0.0103340700000000,  0.0086778400000000 ]  - [   0.0019322400000000, -0.0019362100000000,  0.0036181400000000 ]  - [   0.0014702300000000, -0.0043984000000000,  0.0062142200000000 ]  - [   0.0029322600000000, -0.0005304300000000,  0.0014850600000000 ]  - [   0.0137173400000000,  0.0049335000000000, -0.0041635800000000 ]  - [   0.0037891400000000, -0.0000753000000000,  0.0002360400000000 ]  - [  -0.0048592700000000,  0.0107715600000000,  0.0097910400000000 ]  - [  -0.0030854500000000, -0.0034235600000000,  0.0051945200000000 ]  - [  -0.0032851700000000, -0.0010660600000000, -0.0002387000000000 ]  - [  -0.0044119300000000,  0.0004774200000000, -0.0003346100000000 ]  - [  -0.0027194500000000, -0.0004586900000000, -0.0052986000000000 ]  - [  -0.0018937900000000,  0.0006711900000000, -0.0042789400000000 ]  - [  -0.0026449100000000, -0.0010761300000000, -0.0002236100000000 ]  - [  -0.0014357800000000,  0.0002282300000000, -0.0001377400000000 ]  - [  -0.0097816400000000,  0.0038183000000000, -0.0093717700000000 ]  - [  -0.0010547400000000,  0.0000686900000000, -0.0017600000000000 ]  - [  -0.0044855700000000,  0.0008741700000000, -0.0004584000000000 ]  - [  -0.0029144200000000, -0.0013467200000000,  0.0001880500000000 ]  - [  -0.0021181400000000,  0.0012129000000000, -0.0041848700000000 ]  - [  -0.0000323900000000,  0.0000837700000000, -0.0025445900000000 ]  - [  -0.0026845600000000, -0.0008986000000000, -0.0005592700000000 ]  - [  -0.0019347500000000,  0.0000431100000000, -0.0013704200000000 ]  - [  -0.0090070200000000,  0.0041161400000000, -0.0090311900000000 ]  - [  -0.0020865100000000,  0.0002430200000000, -0.0020216800000000 ]- atom:    1  displacement:    [  -0.0099999602456942,  0.0000000000000000, -0.0000281972434034 ]  forces:  - [   0.1238820500000000,  0.0081332900000000,  0.0094380500000000 ]  - [   0.0030314600000000, -0.0000021400000000,  0.0002173000000000 ]  - [   0.0003921200000000, -0.0001587800000000,  0.0017329500000000 ]  - [   0.0019019200000000,  0.0019683500000000,  0.0020896000000000 ]  - [  -0.0008952000000000,  0.0059145700000000,  0.0019048300000000 ]  - [  -0.0009669600000000, -0.0148159900000000,  0.0077198500000000 ]  - [   0.0019495000000000, -0.0011514100000000,  0.0013315600000000 ]  - [   0.0019333400000000, -0.0020128000000000,  0.0031680200000000 ]  - [   0.0097949000000000,  0.0003768300000000, -0.0000120100000000 ]  - [   0.0022487900000000,  0.0025119200000000,  0.0020879500000000 ]  - [   0.0001054900000000,  0.0008809500000000,  0.0025336300000000 ]  - [   0.0003947100000000,  0.0042236900000000,  0.0041844300000000 ]  - [  -0.0006988100000000, -0.0072204500000000,  0.0121229600000000 ]  - [   0.0022825600000000,  0.0013078500000000, -0.0000371500000000 ]  - [  -0.0006365400000000,  0.0017200200000000,  0.0066667600000000 ]  - [   0.0022895200000000, -0.0002214100000000,  0.0004223800000000 ]  - [  -0.0170095900000000,  0.0023120700000000, -0.0063751000000000 ]  - [  -0.0010118600000000, -0.0003670900000000, -0.0005547700000000 ]  - [   0.0001025400000000, -0.0006872900000000,  0.0003373200000000 ]  - [  -0.0004081900000000, -0.0005928100000000, -0.0003171700000000 ]  - [  -0.0009924100000000, -0.0000191200000000,  0.0001298300000000 ]  - [  -0.0017558300000000,  0.0013681200000000, -0.0007410600000000 ]  - [  -0.0024974100000000, -0.0033408700000000, -0.0054599600000000 ]  - [  -0.0002763600000000,  0.0005220000000000, -0.0009270700000000 ]  - [   0.0002709800000000, -0.0090861000000000, -0.0017739300000000 ]  - [   0.0036054400000000,  0.0186324100000000, -0.0075521700000000 ]  - [   0.0000410500000000, -0.0006033500000000,  0.0011250400000000 ]  - [  -0.0010717900000000, -0.0016995400000000,  0.0028746800000000 ]  - [  -0.0190821400000000,  0.0068791800000000,  0.0063878100000000 ]  - [  -0.0005507700000000, -0.0003896400000000,  0.0002526300000000 ]  - [   0.0009128900000000, -0.0004735000000000,  0.0003505600000000 ]  - [  -0.0003010500000000,  0.0007436100000000,  0.0009944800000000 ]  - [   0.0023481900000000,  0.0116450900000000, -0.0218913900000000 ]  - [   0.0007014800000000,  0.0003678900000000, -0.0003000000000000 ]  - [  -0.0021229300000000, -0.0021559700000000,  0.0036005700000000 ]  - [  -0.0013461300000000, -0.0016788300000000,  0.0021005800000000 ]  - [  -0.0148472000000000,  0.0214186900000000,  0.0211765800000000 ]  - 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