# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/90928c5d-c932-4194-8ffd-973fc0754150/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 La(NO2)3 / R3m (160) / materials id 30925](https://mdr.nims.go.jp/datasets/25296a0b-9c0b-4a29-aa0c-0c89b0115433)

## 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: "R3m"  number: 160  Hall_symbol: "R 3 -2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     5.162099340000005,     2.980339443333330,     1.422666446666665 ] # a  - [    -5.162099339999995,     2.980339443333330,     1.422666446666665 ] # b  - [     0.000000000000005,    -5.960678886666670,     1.422666446666665 ] # c  points:  - symbol: N  # 1    coordinates: [  0.874798630000000,  0.412638380000001,  0.874798630000000 ]    mass: 14.006700  - symbol: N  # 2    coordinates: [  0.412638400000000,  0.874798620000000,  0.874798630000000 ]    mass: 14.006700  - symbol: N  # 3    coordinates: [  0.874798620000000,  0.874798620000002,  0.412638390000000 ]    mass: 14.006700  - symbol: O  # 4    coordinates: [  0.580546250000000,  0.158771840000001,  0.158771840000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.158771830000000,  0.580546260000002,  0.158771830000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.606502430000000,  0.857738990000000,  0.857739010000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.857739000000000,  0.606502420000001,  0.857739000000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.857739010000000,  0.857739000000002,  0.606502430000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.158771830000000,  0.158771840000003,  0.580546240000000 ]    mass: 15.999400  - symbol: La # 10    coordinates: [  0.278693990000000,  0.278694000000003,  0.278693990000000 ]    mass: 138.905470  reciprocal_lattice: # without 2pi  - [     0.096859817502079,     0.055922041712222,     0.234301816925773 ] # a*  - [    -0.096859817502079,     0.055922041712222,     0.234301816925774 ] # b*  - [    -0.000000000000000,    -0.111844083424444,     0.234301816925773 ] # c*unit_cell:  lattice:  - [    10.324198680000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.162099340000000,     8.941018330000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.267999340000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.487386750000000,  0.512613250000000,  0.387411880000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.358559850000000,  0.179279920000000,  0.054078550000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.154053410000000,  0.308106820000000,  0.720745210000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.154053410000000,  0.845946590000000,  0.720745210000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 5    coordinates: [  0.025226520000000,  0.512613250000000,  0.387411880000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 6    coordinates: [  0.820720080000000,  0.641440150000000,  0.054078550000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 7    coordinates: [  0.820720080000000,  0.179279920000000,  0.054078550000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 8    coordinates: [  0.691893180000000,  0.845946590000000,  0.720745210000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 9    coordinates: [  0.487386750000000,  0.974773480000000,  0.387411880000000 ]    mass: 14.006700    reduced_to: 3  - symbol: O  # 10    coordinates: [  0.281182940000000,  0.140591470000000,  0.299363310000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.526075190000000,  0.473924810000000,  0.632696640000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.499175620000000,  0.249587800000000,  0.107326810000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.417078860000000,  0.582921140000000,  0.440660140000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.083745530000000,  0.167491050000000,  0.773993480000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.192741860000000,  0.385483730000000,  0.966029970000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.947849610000000,  0.473924810000000,  0.632696640000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 17    coordinates: [  0.192741860000000,  0.807258140000000,  0.966029970000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 18    coordinates: [  0.165842280000000,  0.582921140000000,  0.440660140000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 19    coordinates: [  0.083745530000000,  0.916254470000000,  0.773993480000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 20    coordinates: [  0.750412200000000,  0.500824380000000,  0.107326810000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 21    coordinates: [  0.859408530000000,  0.718817060000000,  0.299363310000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 22    coordinates: [  0.614516270000000,  0.807258140000000,  0.966029970000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.859408530000000,  0.140591470000000,  0.299363310000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.832508950000000,  0.916254470000000,  0.773993480000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 25    coordinates: [  0.750412200000000,  0.249587800000000,  0.107326810000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 26    coordinates: [  0.417078860000000,  0.834157720000000,  0.440660140000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 27    coordinates: [  0.526075190000000,  0.052150390000000,  0.632696640000000 ]    mass: 15.999400    reduced_to: 15  - symbol: La # 28    coordinates: [  0.333333330000000,  0.666666670000000,  0.945360660000000 ]    mass: 138.905470    reduced_to: 28  - symbol: La # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.278694000000000 ]    mass: 138.905470    reduced_to: 28  - symbol: La # 30    coordinates: [  0.666666670000000,  0.333333330000000,  0.612027330000000 ]    mass: 138.905470    reduced_to: 28supercell:  lattice:  - [    10.324198680000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.162099340000000,     8.941018330000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.803998020000002 ] # c  points:  - symbol: N  # 1    coordinates: [  0.487386750000000,  0.512613250000000,  0.129137293333333 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.487386750000000,  0.512613250000000,  0.462470626666667 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 3    coordinates: [  0.487386750000000,  0.512613250000000,  0.795803960000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 4    coordinates: [  0.358559850000000,  0.179279920000000,  0.018026183333333 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 5    coordinates: [  0.358559850000000,  0.179279920000000,  0.351359516666667 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 6    coordinates: [  0.358559850000000,  0.179279920000000,  0.684692850000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 7    coordinates: [  0.154053410000000,  0.308106820000000,  0.240248403333333 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.154053410000000,  0.308106820000000,  0.573581736666667 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 9    coordinates: [  0.154053410000000,  0.308106820000000,  0.906915070000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 10    coordinates: [  0.154053410000000,  0.845946590000000,  0.240248403333333 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 11    coordinates: [  0.154053410000000,  0.845946590000000,  0.573581736666667 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 12    coordinates: [  0.154053410000000,  0.845946590000000,  0.906915070000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 13    coordinates: [  0.025226520000000,  0.512613250000000,  0.129137293333333 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 14    coordinates: [  0.025226520000000,  0.512613250000000,  0.462470626666667 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 15    coordinates: [  0.025226520000000,  0.512613250000000,  0.795803960000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 16    coordinates: [  0.820720080000000,  0.641440150000000,  0.018026183333333 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 17    coordinates: [  0.820720080000000,  0.641440150000000,  0.351359516666667 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 18    coordinates: [  0.820720080000000,  0.641440150000000,  0.684692850000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 19    coordinates: [  0.820720080000000,  0.179279920000000,  0.018026183333333 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 20    coordinates: [  0.820720080000000,  0.179279920000000,  0.351359516666667 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 21    coordinates: [  0.820720080000000,  0.179279920000000,  0.684692850000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 22    coordinates: [  0.691893180000000,  0.845946590000000,  0.240248403333333 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 23    coordinates: [  0.691893180000000,  0.845946590000000,  0.573581736666667 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 24    coordinates: [  0.691893180000000,  0.845946590000000,  0.906915070000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 25    coordinates: [  0.487386750000000,  0.974773480000000,  0.129137293333333 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 26    coordinates: [  0.487386750000000,  0.974773480000000,  0.462470626666667 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 27    coordinates: [  0.487386750000000,  0.974773480000000,  0.795803960000000 ]    mass: 14.006700    reduced_to: 7  - symbol: O  # 28    coordinates: [  0.281182940000000,  0.140591470000000,  0.099787770000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.281182940000000,  0.140591470000000,  0.433121103333333 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 30    coordinates: [  0.281182940000000,  0.140591470000000,  0.766454436666667 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 31    coordinates: [  0.526075190000000,  0.473924810000000,  0.210898880000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.526075190000000,  0.473924810000000,  0.544232213333333 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.526075190000000,  0.473924810000000,  0.877565546666667 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 34    coordinates: [  0.499175620000000,  0.249587800000000,  0.035775603333333 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.499175620000000,  0.249587800000000,  0.369108936666667 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 36    coordinates: [  0.499175620000000,  0.249587800000000,  0.702442270000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 37    coordinates: [  0.417078860000000,  0.582921140000000,  0.146886713333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.417078860000000,  0.582921140000000,  0.480220046666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.417078860000000,  0.582921140000000,  0.813553380000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.083745530000000,  0.167491050000000,  0.257997826666667 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.083745530000000,  0.167491050000000,  0.591331160000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 42    coordinates: [  0.083745530000000,  0.167491050000000,  0.924664493333333 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 43    coordinates: [  0.192741860000000,  0.385483730000000,  0.322009990000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.192741860000000,  0.385483730000000,  0.655343323333333 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.192741860000000,  0.385483730000000,  0.988676656666667 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 46    coordinates: [  0.947849610000000,  0.473924810000000,  0.210898880000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 47    coordinates: [  0.947849610000000,  0.473924810000000,  0.544232213333333 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 48    coordinates: [  0.947849610000000,  0.473924810000000,  0.877565546666667 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 49    coordinates: [  0.192741860000000,  0.807258140000000,  0.322009990000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 50    coordinates: [  0.192741860000000,  0.807258140000000,  0.655343323333333 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 51    coordinates: [  0.192741860000000,  0.807258140000000,  0.988676656666667 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 52    coordinates: [  0.165842280000000,  0.582921140000000,  0.146886713333333 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 53    coordinates: [  0.165842280000000,  0.582921140000000,  0.480220046666667 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 54    coordinates: [  0.165842280000000,  0.582921140000000,  0.813553380000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 55    coordinates: [  0.083745530000000,  0.916254470000000,  0.257997826666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 56    coordinates: [  0.083745530000000,  0.916254470000000,  0.591331160000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 57    coordinates: [  0.083745530000000,  0.916254470000000,  0.924664493333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 58    coordinates: [  0.750412200000000,  0.500824380000000,  0.035775603333333 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 59    coordinates: [  0.750412200000000,  0.500824380000000,  0.369108936666667 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 60    coordinates: [  0.750412200000000,  0.500824380000000,  0.702442270000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 61    coordinates: [  0.859408530000000,  0.718817060000000,  0.099787770000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 62    coordinates: [  0.859408530000000,  0.718817060000000,  0.433121103333333 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 63    coordinates: [  0.859408530000000,  0.718817060000000,  0.766454436666667 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 64    coordinates: [  0.614516270000000,  0.807258140000000,  0.322009990000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 65    coordinates: [  0.614516270000000,  0.807258140000000,  0.655343323333333 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 66    coordinates: [  0.614516270000000,  0.807258140000000,  0.988676656666667 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 67    coordinates: [  0.859408530000000,  0.140591470000000,  0.099787770000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 68    coordinates: [  0.859408530000000,  0.140591470000000,  0.433121103333333 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 69    coordinates: [  0.859408530000000,  0.140591470000000,  0.766454436666667 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 70    coordinates: [  0.832508950000000,  0.916254470000000,  0.257997826666667 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 71    coordinates: [  0.832508950000000,  0.916254470000000,  0.591331160000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 72    coordinates: [  0.832508950000000,  0.916254470000000,  0.924664493333333 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 73    coordinates: [  0.750412200000000,  0.249587800000000,  0.035775603333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 74    coordinates: [  0.750412200000000,  0.249587800000000,  0.369108936666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 75    coordinates: [  0.750412200000000,  0.249587800000000,  0.702442270000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 76    coordinates: [  0.417078860000000,  0.834157720000000,  0.146886713333333 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 77    coordinates: [  0.417078860000000,  0.834157720000000,  0.480220046666667 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 78    coordinates: [  0.417078860000000,  0.834157720000000,  0.813553380000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 79    coordinates: [  0.526075190000000,  0.052150390000000,  0.210898880000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 80    coordinates: [  0.526075190000000,  0.052150390000000,  0.544232213333333 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 81    coordinates: [  0.526075190000000,  0.052150390000000,  0.877565546666667 ]    mass: 15.999400    reduced_to: 43  - symbol: La # 82    coordinates: [  0.333333330000000,  0.666666670000000,  0.315120220000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 83    coordinates: [  0.333333330000000,  0.666666670000000,  0.648453553333333 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 84    coordinates: [  0.333333330000000,  0.666666670000000,  0.981786886666667 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 85    coordinates: [  0.000000000000000,  0.000000000000000,  0.092898000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 86    coordinates: [  0.000000000000000,  0.000000000000000,  0.426231333333333 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 87    coordinates: [  0.000000000000000,  0.000000000000000,  0.759564666666667 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 88    coordinates: [  0.666666670000000,  0.333333330000000,  0.204009110000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 89    coordinates: [  0.666666670000000,  0.333333330000000,  0.537342443333333 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 90    coordinates: [  0.666666670000000,  0.333333330000000,  0.870675776666667 ]    mass: 138.905470    reduced_to: 82born_effective_charge:- # 1 (N)  - [  2.074803340000000, -1.218240770000000,  1.102947350000000 ]  - [ -1.218240770000000,  0.668100070000000, -0.636786950000000 ]  - [  0.666206040000000, -0.384634240000000,  0.400428070000000 ]- # 2 (N)  - [  2.074803342245908,  1.218240768540424, -1.102947350461542 ]  - [  1.218240768866211,  0.668100067754084, -0.636786949200587 ]  - [ -0.666206043027603, -0.384634234756068,  0.400428070000008 ]- # 3 (N)  - [ -0.035251567245915,  0.000000001215233,  0.000000000461542 ]  - [  0.000000001378132,  2.778154977245908,  1.273573899200587 ]  - [  0.000000003027592,  0.769268474756073,  0.400428070000008 ]- # 4 (O)  - [ -1.753161350000000, -0.850955290000000,  1.369029590000000 ]  - [ -0.850955290000000, -0.770562820000000,  0.790409600000000 ]  - [  0.374595720000000,  0.216272940000000, -0.888547570000000 ]- # 5 (O)  - [ -1.753161351124759,  0.850955289236847, -1.369029587949332 ]  - [  0.850955289464410, -0.770562818875251,  0.790409603551861 ]  - [ -0.374595720203662,  0.216272939647231, -0.888547569999991 ]- # 6 (O)  - [ -2.184660550000000, -1.022249010000000, -0.251646310000000 ]  - [ -1.022249010000000, -1.004269060000000, -0.145288070000000 ]  - [  0.504103010000000,  0.291044010000000, -0.913136930000000 ]- # 7 (O)  - [ -2.184660544153492,  1.022249013238792,  0.251646314478400 ]  - [  1.022249013512170, -1.004269065846507, -0.145288062243184 ]  - [ -0.504103011296133,  0.291044007755010, -0.913136930000002 ]- # 8 (O)  - [ -0.414073320846507, -0.000000003443827, -0.000000004478400 ]  - [ -0.000000003307137, -2.774856289153492,  0.290576132243184 ]  - [  0.000000001296140, -0.582088017755013, -0.913136930000000 ]- # 9 (O)  - [ -0.279263553875246,  0.000000000592485, -0.000000002050668 ]  - [  0.000000000706257, -2.244460616124754, -1.580819203551861 ]  - [  0.000000000203665, -0.432545879647234, -0.888547570000000 ]- # 10 (La)  - [  4.454625540000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  4.454625540000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  4.203769280000000 ]dielectric_constant:  - [  3.373283080000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.373283070000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.986563310000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.3708291200000000,  0.2056551000000000, -0.0232229400000000 ]  - [  -0.0018659000000000,  0.0014164700000000,  0.0006269700000000 ]  - [  -0.0018930700000000,  0.0014289700000000, -0.0009960300000000 ]  - [  -0.0017602300000000, -0.0034320000000000,  0.0000943800000000 ]  - [  -0.0036101000000000, -0.0011108200000000,  0.0019413500000000 ]  - [  -0.0004373300000000, -0.0002581300000000,  0.0005633200000000 ]  - [  -0.0011023300000000,  0.0037581000000000, -0.0001072000000000 ]  - [   0.0001013600000000,  0.0005664300000000,  0.0003652600000000 ]  - [  -0.0000573000000000,  0.0031808100000000,  0.0016244900000000 ]  - [   0.0016470200000000, -0.0009439800000000,  0.0009486400000000 ]  - [   0.0006541900000000, -0.0003840500000000,  0.0004454500000000 ]  - [   0.0016899200000000, -0.0010194000000000,  0.0013980400000000 ]  - [   0.0064983100000000,  0.0037109900000000, -0.0032758700000000 ]  - [   0.0008984600000000,  0.0006426500000000, -0.0000432400000000 ]  - [   0.0009065400000000,  0.0005412200000000, -0.0009754000000000 ]  - 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[   0.3880423000000000, -0.2176229000000000,  0.0133093400000000 ]  - [   0.0020822300000000, -0.0015473800000000, -0.0001792400000000 ]  - [   0.0020588600000000, -0.0015369600000000,  0.0014479200000000 ]  - [   0.0014658400000000,  0.0032851400000000,  0.0003871300000000 ]  - [   0.0034196100000000,  0.0009859900000000, -0.0015064600000000 ]  - [   0.0002054700000000,  0.0001261000000000, -0.0001081200000000 ]  - [   0.0011058000000000, -0.0035445900000000,  0.0005188000000000 ]  - [  -0.0001010300000000, -0.0003060900000000,  0.0000320200000000 ]  - [   0.0000590800000000, -0.0028961900000000, -0.0012252300000000 ]  - [  -0.0014210600000000,  0.0008124900000000, -0.0005478700000000 ]  - [  -0.0004315100000000,  0.0002544300000000, -0.0000447000000000 ]  - [  -0.0014534300000000,  0.0008841200000000, -0.0009840200000000 ]  - [  -0.0067774400000000, -0.0038767900000000,  0.0037180800000000 ]  - [  -0.0011410400000000, -0.0007818200000000,  0.0004948300000000 ]  - [  -0.0011434600000000, -0.0006784400000000,  0.0014312900000000 ]  - 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[  -0.0253720500000000,  0.0146485600000000, -0.5578903400000000 ]  - [  -0.0011311600000000,  0.0006530800000000,  0.0007243400000000 ]  - [   0.0004947300000000, -0.0002856400000000,  0.0007022800000000 ]  - [   0.0006073000000000, -0.0001786900000000,  0.0004978100000000 ]  - [  -0.0021119600000000, -0.0005473800000000,  0.0012470900000000 ]  - [  -0.0003288900000000, -0.0001264300000000,  0.0004202300000000 ]  - [  -0.0002631200000000, -0.0001844100000000,  0.0004449700000000 ]  - [   0.0000650900000000,  0.0005579000000000,  0.0003982400000000 ]  - [   0.0000888900000000,  0.0021816800000000,  0.0011979100000000 ]  - [   0.0012027700000000, -0.0006944200000000,  0.0008714500000000 ]  - [   0.0004928100000000, -0.0002845200000000,  0.0003380000000000 ]  - [   0.0001705100000000, -0.0000984400000000,  0.0003959500000000 ]  - [   0.0034009800000000,  0.0019339500000000, -0.0022711500000000 ]  - [   0.0010977600000000,  0.0005242200000000,  0.0001091000000000 ]  - [   0.0001519200000000,  0.0000140600000000,  0.0001063000000000 ]  - 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