# Fileset

[phonopy_mlp_eval_fc2_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/9f101600-0452-428b-be73-7c339b188c86/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

[First-principles lattice thermal conductivity calculation for Cs2Li3Br5 / C2/m (12) / materials id 571409](https://mdr.nims.go.jp/datasets/76a2a42a-ab9c-42e7-971d-31cc44a30067)

## Fulltext

phonopy:  version: "2.44.0"  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05space_group:  type: "C2/m"  number: 12  Hall_symbol: "-C 2y"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,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.744549772619262,    -2.163616325000000,     0.000000000000000 ] # a  - [     7.744549772619262,     2.163616325000000,     0.000000000000000 ] # b  - [    -4.174010829149962,     0.000000000000000,     9.000616325505431 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.814050601887734,  0.814050601887734,  0.273431562024864 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.185949398112266,  0.185949398112266,  0.726568437975136 ]    mass: 132.905452  - symbol: Li # 3    coordinates: [  0.549143532254323,  0.549143532254323,  0.291290569683906 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.450856467745677,  0.450856467745677,  0.708709430316094 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Br # 6    coordinates: [  0.401137422334942,  0.401137422334942,  0.060236648270980 ]    mass: 79.904000  - symbol: Br # 7    coordinates: [  0.598862577665058,  0.598862577665058,  0.939763351729021 ]    mass: 79.904000  - symbol: Br # 8    coordinates: [  0.866701028638748,  0.866701028638748,  0.702506584984797 ]    mass: 79.904000  - symbol: Br # 9    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 79.904000  - symbol: Br # 10    coordinates: [  0.133298971361252,  0.133298971361252,  0.297493415015203 ]    mass: 79.904000  reciprocal_lattice: # without 2pi  - [     0.064561532262049,    -0.231094577269840,     0.029940231320012 ] # a*  - [     0.064561532262049,     0.231094577269840,     0.029940231320012 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.111103502675284 ] # c*unit_cell:  lattice:  - [    15.489099545238524,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.327232649999999,     0.000000000000000 ] # b  - [    -4.174010829149962,     0.000000000000000,     9.000616325505431 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.314050601887734,  0.500000000000000,  0.273431562024864 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.185949398112266,  0.000000000000000,  0.726568437975136 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.814050601887734,  0.000000000000000,  0.273431562024864 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.685949398112266,  0.500000000000000,  0.726568437975136 ]    mass: 132.905452    reduced_to: 2  - symbol: Li # 5    coordinates: [  0.049143532254323,  0.500000000000000,  0.291290569683906 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.450856467745677,  0.000000000000000,  0.708709430316094 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.549143532254323,  0.000000000000000,  0.291290569683906 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 9    coordinates: [  0.950856467745677,  0.500000000000000,  0.708709430316094 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Br # 11    coordinates: [  0.401137422334942,  0.000000000000000,  0.060236648270980 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 12    coordinates: [  0.098862577665058,  0.500000000000000,  0.939763351729021 ]    mass: 79.904000    reduced_to: 12  - symbol: Br # 13    coordinates: [  0.366701028638748,  0.500000000000000,  0.702506584984797 ]    mass: 79.904000    reduced_to: 13  - symbol: Br # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 14  - symbol: Br # 15    coordinates: [  0.133298971361252,  0.000000000000000,  0.297493415015203 ]    mass: 79.904000    reduced_to: 15  - symbol: Br # 16    coordinates: [  0.901137422334942,  0.500000000000000,  0.060236648270980 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 17    coordinates: [  0.598862577665058,  0.000000000000000,  0.939763351729021 ]    mass: 79.904000    reduced_to: 12  - symbol: Br # 18    coordinates: [  0.866701028638748,  0.000000000000000,  0.702506584984797 ]    mass: 79.904000    reduced_to: 13  - symbol: Br # 19    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 14  - symbol: Br # 20    coordinates: [  0.633298971361252,  0.500000000000000,  0.297493415015203 ]    mass: 79.904000    reduced_to: 15supercell:  lattice:  - [    15.489099545238524,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.981697949999997,     0.000000000000000 ] # b  - [    -8.348021658299924,     0.000000000000000,    18.001232651010863 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.314050601887734,  0.166666666666667,  0.136715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.314050601887734,  0.500000000000000,  0.136715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.314050601887734,  0.833333333333333,  0.136715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.314050601887734,  0.166666666666667,  0.636715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 5    coordinates: [  0.314050601887734,  0.500000000000000,  0.636715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.314050601887734,  0.833333333333333,  0.636715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 7    coordinates: [  0.185949398112266,  0.000000000000000,  0.363284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 8    coordinates: [  0.185949398112266,  0.333333333333333,  0.363284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 9    coordinates: [  0.185949398112266,  0.666666666666667,  0.363284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 10    coordinates: [  0.185949398112266,  0.000000000000000,  0.863284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 11    coordinates: [  0.185949398112266,  0.333333333333333,  0.863284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 12    coordinates: [  0.185949398112266,  0.666666666666667,  0.863284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 13    coordinates: [  0.814050601887734,  0.000000000000000,  0.136715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 14    coordinates: [  0.814050601887734,  0.333333333333333,  0.136715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 15    coordinates: [  0.814050601887734,  0.666666666666667,  0.136715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 16    coordinates: [  0.814050601887734,  0.000000000000000,  0.636715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 17    coordinates: [  0.814050601887734,  0.333333333333333,  0.636715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 18    coordinates: [  0.814050601887734,  0.666666666666667,  0.636715781012432 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 19    coordinates: [  0.685949398112266,  0.166666666666667,  0.363284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 20    coordinates: [  0.685949398112266,  0.500000000000000,  0.363284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 21    coordinates: [  0.685949398112266,  0.833333333333333,  0.363284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 22    coordinates: [  0.685949398112266,  0.166666666666667,  0.863284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 23    coordinates: [  0.685949398112266,  0.500000000000000,  0.863284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 24    coordinates: [  0.685949398112266,  0.833333333333333,  0.863284218987568 ]    mass: 132.905452    reduced_to: 7  - symbol: Li # 25    coordinates: [  0.049143532254323,  0.166666666666667,  0.145645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 26    coordinates: [  0.049143532254323,  0.500000000000000,  0.145645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 27    coordinates: [  0.049143532254323,  0.833333333333333,  0.145645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 28    coordinates: [  0.049143532254323,  0.166666666666667,  0.645645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 29    coordinates: [  0.049143532254323,  0.500000000000000,  0.645645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 30    coordinates: [  0.049143532254323,  0.833333333333333,  0.645645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 31    coordinates: [  0.450856467745677,  0.000000000000000,  0.354354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 32    coordinates: [  0.450856467745677,  0.333333333333333,  0.354354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 33    coordinates: [  0.450856467745677,  0.666666666666667,  0.354354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 34    coordinates: [  0.450856467745677,  0.000000000000000,  0.854354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 35    coordinates: [  0.450856467745677,  0.333333333333333,  0.854354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 36    coordinates: [  0.450856467745677,  0.666666666666667,  0.854354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 38    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 39    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 41    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 42    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 43    coordinates: [  0.549143532254323,  0.000000000000000,  0.145645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 44    coordinates: [  0.549143532254323,  0.333333333333333,  0.145645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 45    coordinates: [  0.549143532254323,  0.666666666666667,  0.145645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 46    coordinates: [  0.549143532254323,  0.000000000000000,  0.645645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 47    coordinates: [  0.549143532254323,  0.333333333333333,  0.645645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 48    coordinates: [  0.549143532254323,  0.666666666666667,  0.645645284841953 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 49    coordinates: [  0.950856467745677,  0.166666666666667,  0.354354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 50    coordinates: [  0.950856467745677,  0.500000000000000,  0.354354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 51    coordinates: [  0.950856467745677,  0.833333333333333,  0.354354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 52    coordinates: [  0.950856467745677,  0.166666666666667,  0.854354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 53    coordinates: [  0.950856467745677,  0.500000000000000,  0.854354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 54    coordinates: [  0.950856467745677,  0.833333333333333,  0.854354715158047 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 55    coordinates: [  0.500000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 56    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 57    coordinates: [  0.500000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 58    coordinates: [  0.500000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 60    coordinates: [  0.500000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Br # 61    coordinates: [  0.401137422334942,  0.000000000000000,  0.030118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 62    coordinates: [  0.401137422334942,  0.333333333333333,  0.030118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 63    coordinates: [  0.401137422334942,  0.666666666666667,  0.030118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 64    coordinates: [  0.401137422334942,  0.000000000000000,  0.530118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 65    coordinates: [  0.401137422334942,  0.333333333333333,  0.530118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 66    coordinates: [  0.401137422334942,  0.666666666666667,  0.530118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 67    coordinates: [  0.098862577665058,  0.166666666666667,  0.469881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 68    coordinates: [  0.098862577665058,  0.500000000000000,  0.469881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 69    coordinates: [  0.098862577665058,  0.833333333333333,  0.469881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 70    coordinates: [  0.098862577665058,  0.166666666666667,  0.969881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 71    coordinates: [  0.098862577665058,  0.500000000000000,  0.969881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 72    coordinates: [  0.098862577665058,  0.833333333333333,  0.969881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 73    coordinates: [  0.366701028638748,  0.166666666666667,  0.351253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 74    coordinates: [  0.366701028638748,  0.500000000000000,  0.351253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 75    coordinates: [  0.366701028638748,  0.833333333333333,  0.351253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 76    coordinates: [  0.366701028638748,  0.166666666666667,  0.851253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 77    coordinates: [  0.366701028638748,  0.500000000000000,  0.851253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 78    coordinates: [  0.366701028638748,  0.833333333333333,  0.851253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 79    coordinates: [  0.000000000000000,  0.166666666666667,  0.250000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 80    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 81    coordinates: [  0.000000000000000,  0.833333333333333,  0.250000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 82    coordinates: [  0.000000000000000,  0.166666666666667,  0.750000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 83    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 84    coordinates: [  0.000000000000000,  0.833333333333333,  0.750000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 85    coordinates: [  0.133298971361252,  0.000000000000000,  0.148746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 86    coordinates: [  0.133298971361252,  0.333333333333333,  0.148746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 87    coordinates: [  0.133298971361252,  0.666666666666667,  0.148746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 88    coordinates: [  0.133298971361252,  0.000000000000000,  0.648746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 89    coordinates: [  0.133298971361252,  0.333333333333333,  0.648746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 90    coordinates: [  0.133298971361252,  0.666666666666667,  0.648746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 91    coordinates: [  0.901137422334942,  0.166666666666667,  0.030118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 92    coordinates: [  0.901137422334942,  0.500000000000000,  0.030118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 93    coordinates: [  0.901137422334942,  0.833333333333333,  0.030118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 94    coordinates: [  0.901137422334942,  0.166666666666667,  0.530118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 95    coordinates: [  0.901137422334942,  0.500000000000000,  0.530118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 96    coordinates: [  0.901137422334942,  0.833333333333333,  0.530118324135490 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 97    coordinates: [  0.598862577665058,  0.000000000000000,  0.469881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 98    coordinates: [  0.598862577665058,  0.333333333333333,  0.469881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 99    coordinates: [  0.598862577665058,  0.666666666666667,  0.469881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 100    coordinates: [  0.598862577665058,  0.000000000000000,  0.969881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 101    coordinates: [  0.598862577665058,  0.333333333333333,  0.969881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 102    coordinates: [  0.598862577665058,  0.666666666666667,  0.969881675864511 ]    mass: 79.904000    reduced_to: 67  - symbol: Br # 103    coordinates: [  0.866701028638748,  0.000000000000000,  0.351253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 104    coordinates: [  0.866701028638748,  0.333333333333333,  0.351253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 105    coordinates: [  0.866701028638748,  0.666666666666667,  0.351253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 106    coordinates: [  0.866701028638748,  0.000000000000000,  0.851253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 107    coordinates: [  0.866701028638748,  0.333333333333333,  0.851253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 108    coordinates: [  0.866701028638748,  0.666666666666667,  0.851253292492399 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 109    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 110    coordinates: [  0.500000000000000,  0.333333333333333,  0.250000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 111    coordinates: [  0.500000000000000,  0.666666666666667,  0.250000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 112    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 113    coordinates: [  0.500000000000000,  0.333333333333333,  0.750000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 114    coordinates: [  0.500000000000000,  0.666666666666667,  0.750000000000000 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 115    coordinates: [  0.633298971361252,  0.166666666666667,  0.148746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 116    coordinates: [  0.633298971361252,  0.500000000000000,  0.148746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 117    coordinates: [  0.633298971361252,  0.833333333333333,  0.148746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 118    coordinates: [  0.633298971361252,  0.166666666666667,  0.648746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 119    coordinates: [  0.633298971361252,  0.500000000000000,  0.648746707507601 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 120    coordinates: [  0.633298971361252,  0.833333333333333,  0.648746707507601 ]    mass: 79.904000    reduced_to: 85nac:  born_effective_charge:  - # 1 (Cs)    - [  1.447364540000000,  0.000000000000000,  0.084899151000000 ]    - [  0.000000000000000,  1.187925920000000,  0.000000000000000 ]    - [  0.101655170000000,  0.000000000000000,  1.299071130000000 ]  - # 2 (Cs)    - [  1.447364540000000,  0.000000000000000,  0.084899151000000 ]    - [  0.000000000000000,  1.187925920000000,  0.000000000000000 ]    - [  0.101655170000000,  0.000000000000000,  1.299071130000000 ]  - # 3 (Li)    - [  0.936886600000000,  0.000000000000000, -0.085726169000000 ]    - [  0.000000000000000,  1.053825940000000,  0.000000000000000 ]    - [ -0.111184390000000,  0.000000000000000,  1.013405680000000 ]  - # 4 (Li)    - [  0.936886600000000,  0.000000000000000, -0.085726169000000 ]    - [  0.000000000000000,  1.053825940000000,  0.000000000000000 ]    - [ -0.111184390000000,  0.000000000000000,  1.013405680000000 ]  - # 5 (Li)    - [  1.036307950000000,  0.000000000000000,  0.013291481000000 ]    - [  0.000000000000000,  1.325388920000000,  0.000000000000000 ]    - [ -0.023867000000000,  0.000000000000000,  1.180720430000000 ]  - # 6 (Br)    - [ -1.213032100000000,  0.000000000000000, -0.013370049000000 ]    - [  0.000000000000000, -1.143062500000000,  0.000000000000000 ]    - [  0.010161660000000,  0.000000000000000, -1.192577240000000 ]  - # 7 (Br)    - [ -1.213032100000000,  0.000000000000000, -0.013370049000000 ]    - [  0.000000000000000, -1.143062500000000,  0.000000000000000 ]    - [  0.010161660000000,  0.000000000000000, -1.192577240000000 ]  - # 8 (Br)    - [ -1.102623050000000,  0.000000000000000, -0.039527969000000 ]    - [  0.000000000000000, -1.299832530000000,  0.000000000000000 ]    - [ -0.046574090000000,  0.000000000000000, -1.031782090000000 ]  - # 9 (Br)    - [ -1.173499930000000,  0.000000000000000,  0.094158591000000 ]    - [  0.000000000000000, -0.923102580000000,  0.000000000000000 ]    - [  0.115750300000000,  0.000000000000000, -1.356955390000000 ]  - # 10 (Br)    - [ -1.102623050000000,  0.000000000000000, -0.039527969000000 ]    - [  0.000000000000000, -1.299832530000000,  0.000000000000000 ]    - [ -0.046574090000000,  0.000000000000000, -1.031782090000000 ]  dielectric_constant:    - [  3.021853200000000,  0.000000000000000, -0.010087330000000 ]    - [  0.000000000000000,  2.986097990000000,  0.000000000000000 ]    - [ -0.010089100000000,  0.000000000000000,  3.015857090000000 ]  unit_conversion_factor: 14.399652dataset:  displacements:  - # 1    - [   -0.0039589442256417,    0.0091777037465297,    0.0003106679243072 ]    - [    0.0029447061415421,    0.0024721772925236,   -0.0092313078799429 ]    - [    0.0003731416948926,    0.0068471611794613,   -0.0072785403109422 ]    - [    0.0008944585843293,    0.0091584799830183,   -0.0039143566829778 ]    - [   -0.0082099384646384,    0.0049938979296088,   -0.0027672899876051 ]    - [   -0.0028021180139896,   -0.0071191438061098,   -0.0064394041730275 ]    - [    0.0015847802912893,   -0.0098002888784441,    0.0012011699827196 ]    - [   -0.0010990481933322,    0.0025797911541910,    0.0095987900627887 ]    - [   -0.0098335172317436,    0.0017436249764716,   -0.0005115767727584 ]    - [   -0.0048215798352607,   -0.0087161873717187,   -0.0008834283181441 ]    - [    0.0062772807459415,   -0.0070455702037334,   -0.0033099376037767 ]    - [    0.0022711362340265,   -0.0071165383096902,    0.0066480690950985 ]    - [    0.0011212129180816,   -0.0098025206811532,    0.0016289474785552 ]    - [    0.0041268432479016,   -0.0061583956026415,   -0.0067114326643880 ]    - [    0.0036641055820673,   -0.0092495315941309,   -0.0010101958090572 ]    - [    0.0041534024625834,   -0.0076564179194554,   -0.0049120782390397 ]    - [   -0.0074403047803111,   -0.0064939565269858,   -0.0015717485173203 ]    - [    0.0035927522105521,    0.0092599806719436,   -0.0011596937133589 ]    - [   -0.0068157944733368,    0.0008929213387975,    0.0072627568581050 ]    - [   -0.0038601600381815,    0.0006000550873524,   -0.0092053842055489 ]    - [    0.0097183178510791,    0.0010914090029610,   -0.0020888093579006 ]    - [   -0.0010908362713570,   -0.0059069859465555,    0.0079948479195221 ]    - [   -0.0005402846580057,   -0.0036171341737397,   -0.0093072247666793 ]    - [    0.0046768282293399,   -0.0055375725076416,    0.0068893082697656 ]    - [    0.0088102490604275,   -0.0033774737209260,    0.0033124285286916 ]    - [   -0.0002249069522461,    0.0016239406305219,    0.0098646963304185 ]    - [    0.0056001150785075,    0.0079234269517513,   -0.0024203339537621 ]    - [   -0.0075468084623496,   -0.0064106276323821,    0.0013962576379551 ]    - [    0.0025351796205878,   -0.0079547465621939,    0.0055040777086284 ]    - [   -0.0018398692711308,    0.0006510256125520,    0.0098077034374491 ]    - [   -0.0091194539962277,    0.0036629356475525,    0.0018489081244281 ]    - [    0.0092581469602756,    0.0020339977597457,   -0.0031858386612145 ]    - [    0.0037347518503313,    0.0085622256049443,   -0.0035693026358776 ]    - [   -0.0021656896929313,   -0.0093345022583877,   -0.0028595201943835 ]    - [   -0.0088518543904922,    0.0038867860044083,    0.0025568669119568 ]    - [   -0.0068713535018223,    0.0018716816270932,   -0.0070200647390032 ]    - [   -0.0065110663360236,   -0.0026739317310984,   -0.0071032460372231 ]    - [   -0.0080235627312300,   -0.0043250084857358,   -0.0041129968023730 ]    - [    0.0062413112652477,    0.0008100282984502,   -0.0077710930920947 ]    - [    0.0027535644896329,    0.0022011297762033,   -0.0093580398754089 ]    - [    0.0047102030501940,    0.0088181223265490,    0.0002338928386283 ]    - [    0.0052696995342296,   -0.0025229674065819,   -0.0081157194557393 ]    - [   -0.0067504658587689,   -0.0002466153359625,   -0.0073736281141418 ]    - [    0.0017376825782412,    0.0092890900097198,   -0.0032700559702551 ]    - [   -0.0075362310343859,   -0.0061390238691066,   -0.0023489588610485 ]    - [    0.0019233787263364,   -0.0094127275382177,   -0.0027750990191981 ]    - [   -0.0019941339525833,   -0.0017138398123627,   -0.0096481181002678 ]    - [   -0.0073285024042995,   -0.0001569013302626,    0.0068020904494676 ]    - [   -0.0078629959751254,    0.0039597535938409,   -0.0047427466484334 ]    - [    0.0000147925312576,    0.0097273202305344,    0.0023192719361162 ]    - [    0.0018845787989905,   -0.0071360312884799,    0.0067472527891159 ]    - [   -0.0061551712582801,    0.0023768179016810,    0.0075142932763827 ]    - [   -0.0033215080666716,   -0.0039386647384698,   -0.0085705603224626 ]    - [   -0.0059553938077622,    0.0071900795774769,    0.0035827420035522 ]    - [   -0.0041393444755765,   -0.0086551741456848,   -0.0028202460567092 ]    - [   -0.0073089468254247,    0.0010564448665861,   -0.0067426419560124 ]    - [    0.0067753583714470,    0.0013577713739448,    0.0072284836469732 ]    - [    0.0053282057079040,   -0.0076083847058010,   -0.0037044171070213 ]    - [   -0.0011264693101524,   -0.0017686794302998,   -0.0097776704774767 ]    - [   -0.0050822077162704,   -0.0066964813229430,   -0.0054155611546872 ]    - [   -0.0050895111660142,    0.0069996690034352,   -0.0050101407099367 ]    - [    0.0016368248888306,   -0.0022015256110424,    0.0096163449016364 ]    - [   -0.0067224242836116,   -0.0068023966143163,    0.0029217138895942 ]    - [    0.0074251535352451,   -0.0017412934884159,    0.0064679975235955 ]    - [    0.0084673948401503,    0.0039687825805191,    0.0035428786952935 ]    - [   -0.0050573955763597,    0.0039283977562070,   -0.0076805234882295 ]    - [   -0.0021992569313423,   -0.0037032976138476,    0.0090249019791471 ]    - [    0.0060546347222182,    0.0047624074584382,    0.0063765879261814 ]    - [   -0.0092108295240409,    0.0030326883625062,   -0.0024420116246602 ]    - [   -0.0001714278733623,    0.0020172286831558,    0.0097929260654867 ]    - [   -0.0015055118577454,   -0.0007515348024510,   -0.0098574149495135 ]    - [   -0.0044339169378515,    0.0075572479879488,    0.0048195833260645 ]    - [   -0.0052270911828649,   -0.0052997763034115,   -0.0066775660910105 ]    - [   -0.0087182756989413,   -0.0008234710040420,    0.0048284121968564 ]    - [   -0.0074423513104536,    0.0050198999950969,   -0.0044059063779222 ]    - [    0.0062849723591217,    0.0070150540022694,   -0.0033597826998662 ]    - [   -0.0018982575592047,   -0.0097089483298344,    0.0014604590263092 ]    - [    0.0039572924925003,   -0.0078093863935065,   -0.0048325273186725 ]    - [    0.0025958331380171,    0.0095998096380499,    0.0010513349764830 ]    - [   -0.0090009015032550,   -0.0029760688742734,    0.0031822611747440 ]    - [   -0.0094515061746384,    0.0026502147341526,    0.0019092912019000 ]    - [   -0.0015372358574856,   -0.0074422896433559,    0.0064999408291812 ]    - [   -0.0051163667360632,   -0.0054185993813998,   -0.0066679511220464 ]    - [   -0.0047939863522051,    0.0017007022561282,   -0.0086096054898509 ]    - [    0.0064087726683869,   -0.0045418060717347,   -0.0061886695251637 ]    - [    0.0050433219215748,    0.0081295647035881,    0.0029111993620394 ]    - [   -0.0050985084628131,    0.0034242007861387,    0.0078917716915044 ]    - [    0.0059275900737497,    0.0073694754173558,   -0.0032487702274204 ]    - [   -0.0031572090924011,    0.0039879418953480,    0.0086097822380237 ]    - [    0.0005823024601305,    0.0094324010954683,   -0.0032696687017394 ]    - [    0.0009279204630654,    0.0098544348444171,    0.0014244569180439 ]    - [    0.0086505897735653,    0.0035332765336495,   -0.0035613555714433 ]    - [   -0.0049517341502295,   -0.0085058237942583,    0.0017695452767535 ]    - [    0.0098961384802078,   -0.0011314895652658,   -0.0008866648432442 ]    - [   -0.0094362725473210,    0.0008010548369113,   -0.0032117085112036 ]    - [    0.0077635523015400,    0.0004404725838348,   -0.0062875463866395 ]    - [   -0.0043905089599055,    0.0027631011228407,    0.0085491931349073 ]    - [   -0.0061934935899535,    0.0073988999406398,   -0.0026261981683805 ]    - [    0.0090939827280377,    0.0029038128271143,   -0.0029778094645626 ]    - [    0.0065294475608591,    0.0034299171024356,   -0.0067529240496552 ]    - [   -0.0046176999239843,   -0.0011434574157091,   -0.0087959850244583 ]    - [   -0.0094777083455798,   -0.0011229182527597,   -0.0029853139053952 ]    - [    0.0045926033603502,    0.0033187015763284,    0.0082397945497309 ]    - [   -0.0015371585311099,   -0.0084359767256270,   -0.0051450403628073 ]    - [   -0.0057263404935503,   -0.0077740943887908,   -0.0026023990827882 ]    - [   -0.0044041793187946,    0.0060587921407007,    0.0066252729999364 ]    - [    0.0032789417039111,    0.0093529646467583,   -0.0013306365464849 ]    - [    0.0024781067561189,    0.0000746737988347,    0.0096877970008173 ]    - [   -0.0095659028416787,   -0.0021333543253080,    0.0019855231417069 ]    - [   -0.0079754453479104,    0.0019080156838023,    0.0057229142622321 ]    - [    0.0017007888932224,   -0.0098273646991211,   -0.0007281622148672 ]    - [    0.0006278644518675,   -0.0099106017146722,   -0.0011771830287673 ]    - [    0.0089634612992633,   -0.0022708963903403,   -0.0038078066023562 ]    - [    0.0033809739457205,   -0.0083329852813656,    0.0043738280120397 ]    - [   -0.0052682801859551,   -0.0021662177172573,    0.0082190464583012 ]    - [    0.0009933448721929,   -0.0020416785871024,   -0.0097388302435075 ]    - [   -0.0023547066976608,    0.0063466617768727,    0.0073603831868983 ]    - [    0.0060421824947137,   -0.0061969096062737,    0.0050090260562557 ]    - [    0.0070181046139180,   -0.0069425415827427,    0.0015960338342254 ]    - [    0.0003044533927766,   -0.0053504440839385,    0.0084427516981299 ]  - # 2    - [   -0.0046851488747965,   -0.0084446405527948,    0.0025956552072813 ]    - [   -0.0043256822236477,   -0.0086938343415366,    0.0023886644263976 ]    - [    0.0027039317969200,    0.0087679386572564,   -0.0039764311310764 ]    - [   -0.0004939380030851,   -0.0038143405480750,    0.0092307546512958 ]    - [    0.0089111550700343,   -0.0044813371187382,    0.0007133953644515 ]    - [    0.0050282428062262,    0.0069749551975266,    0.0051055630712127 ]    - [   -0.0057926483060134,    0.0065148521639462,    0.0048991761434720 ]    - [    0.0096264282973441,   -0.0023279541569262,   -0.0013829344450637 ]    - [   -0.0024805827797279,    0.0073110882149073,   -0.0063556823541427 ]    - [    0.0073271658642688,   -0.0032870225343979,    0.0059588692934024 ]    - [    0.0022251755158522,    0.0070253967665310,   -0.0067596149443935 ]    - [    0.0038148215734230,   -0.0052540997947741,   -0.0076053646664378 ]    - [   -0.0010970035626671,    0.0076611619239931,   -0.0063327072534465 ]    - [   -0.0048687629605604,   -0.0004752660301396,   -0.0087217698567705 ]    - [   -0.0073337096030771,    0.0026185845499085,   -0.0062737324148162 ]    - [   -0.0078050037654389,   -0.0059999453706712,   -0.0017557254256990 ]    - [    0.0067453566424564,    0.0015739551645704,    0.0072126852770651 ]    - [    0.0068419244678911,    0.0067457174273860,   -0.0027718885196800 ]    - [   -0.0023370120139782,   -0.0059771376361051,   -0.0076689112998898 ]    - [    0.0028983371937253,    0.0089877662030038,    0.0032893312681472 ]    - [   -0.0096656026340500,    0.0015777006580890,    0.0020216296283224 ]    - [    0.0004917848903782,   -0.0055099347826420,   -0.0083305921945938 ]    - [   -0.0061172824337995,    0.0001489668246252,   -0.0079092771167970 ]    - [   -0.0005808773708974,    0.0094840225891041,    0.0031170333667356 ]    - [   -0.0045198249718945,   -0.0047562814126280,    0.0075464540909840 ]    - [    0.0036508609015264,    0.0066095044729258,    0.0065563454225719 ]    - [    0.0050926026259667,    0.0068591729199838,    0.0051978019727341 ]    - [   -0.0095070157991010,    0.0024881985836354,   -0.0018508156050882 ]    - [   -0.0075251192176544,   -0.0011439002618741,    0.0064856821500111 ]    - 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[   -0.0009044451693360,    0.0095301903065388,    0.0028909257439129 ]    - [   -0.0006022261048145,   -0.0033310128987706,    0.0094096586966215 ]    - [   -0.0034421928068234,    0.0020539689295157,   -0.0091614693317850 ]    - [    0.0034239069875022,    0.0086431229305184,   -0.0036841942061840 ]    - [    0.0056640299162174,   -0.0071185031803422,   -0.0041527915405969 ]    - [   -0.0029658103170280,   -0.0095202882611249,    0.0007537112102777 ]  - # 5    - [    0.0008892709014162,    0.0023817046198816,    0.0096714363135746 ]    - [    0.0009296166942522,    0.0035837243652334,    0.0092893881647717 ]    - [   -0.0053878782114881,    0.0023123750494908,    0.0081008450181857 ]    - [   -0.0014053054255775,    0.0049832356890539,   -0.0085552602957585 ]    - [   -0.0055303744942182,   -0.0035270296151000,    0.0075481799162387 ]    - [    0.0017078962156502,   -0.0090141493129396,    0.0039784673783504 ]    - [   -0.0051458212505321,    0.0043555031706246,   -0.0073858050196476 ]    - 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[    0.0052983167824480,   -0.0077183907256239,   -0.0035148661253926 ]    - [   -0.0017038174118948,   -0.0098144279795085,   -0.0008797781890709 ]    - [   -0.0020515253759036,   -0.0067185505796863,    0.0071170444525955 ]    - [   -0.0026055978796745,    0.0015926418535267,    0.0095223081033871 ]    - [    0.0032054375764003,   -0.0058296341457900,    0.0074659584562225 ]    - [   -0.0013878870905550,   -0.0096821171233777,    0.0020809558940707 ]    - [    0.0034177416466984,   -0.0066260790215512,   -0.0066643918579704 ]    - [   -0.0057027582352000,    0.0048975952023452,   -0.0065948547933085 ]    - [    0.0026613312447948,    0.0086808657706003,   -0.0041904517033726 ]    - [   -0.0021318752929141,    0.0097644906602679,   -0.0003314059157627 ]    - [   -0.0021649012094799,   -0.0063238511749168,    0.0074378833730233 ]    - [   -0.0005419837895496,    0.0058295617662814,   -0.0081069391995362 ]    - [   -0.0047183583167841,   -0.0087310292953209,   -0.0012272824608391 ]    - 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[    0.0089397253279205,   -0.0036460492159346,    0.0026053092285406 ]    - [    0.0026004646618835,    0.0036566500599158,   -0.0089368055747909 ]    - [    0.0069498067939499,    0.0070519511018244,    0.0014036278652994 ]    - [   -0.0029490819692583,    0.0001853545529293,   -0.0095534579722896 ]    - [    0.0057090533477939,   -0.0038819535064676,    0.0072344417093282 ]    - [    0.0081750647370900,   -0.0048271588024759,   -0.0031411549532087 ]    - [    0.0091545954320176,   -0.0039847354854251,    0.0005614851621154 ]    - [    0.0006610804794380,    0.0019092423934332,    0.0097937615900543 ]    - [   -0.0055935863637884,    0.0079682091755434,    0.0022846080901602 ]    - [    0.0009942228808449,   -0.0098802864113335,   -0.0011796021758299 ]    - [   -0.0072097697911879,    0.0067622540041269,    0.0015136513276660 ]    - [   -0.0065034865666418,    0.0061059662844176,   -0.0045190528002077 ]    - [   -0.0079100075546862,    0.0053771055252654,    0.0029186497999877 ]    - [   -0.0012924920791739,    0.0098472252100709,    0.0011668846932821 ]    - [   -0.0064798610732229,   -0.0072631293068451,   -0.0022931099284113 ]    - [    0.0056541107701509,   -0.0074330150106028,   -0.0035750970967258 ]    - [    0.0062949469329259,    0.0063746393789494,   -0.0044427036700633 ]    - [   -0.0059301964821455,    0.0069553359616659,   -0.0040566083547104 ]  - # 9    - [   -0.0087658059955664,   -0.0045633981006653,   -0.0015284119284200 ]    - [    0.0014906571839132,   -0.0095942186872781,   -0.0023935139315936 ]    - [   -0.0018688662629372,    0.0069254086610952,    0.0069674998218933 ]    - [   -0.0081973556815555,    0.0036829782288169,    0.0043862320043666 ]    - [    0.0092776945164116,   -0.0008815384291335,   -0.0036259170506380 ]    - [   -0.0008773091391531,    0.0080053324656317,   -0.0059283202333428 ]    - [    0.0068683491512678,   -0.0033689962727442,    0.0064401586976188 ]    - [   -0.0058829747265257,   -0.0064910413344121,   -0.0048225502342653 ]    - [    0.0008399159263434,   -0.0094432194019985,   -0.0031812180941260 ]    - [   -0.0083137905130815,   -0.0037539969534241,   -0.0040973642965055 ]    - [   -0.0087887355510146,   -0.0034030915252173,    0.0033432163383971 ]    - [   -0.0051432330858715,   -0.0084907216820858,   -0.0012061503810697 ]    - [   -0.0072069364193390,    0.0068767487698793,   -0.0008777208004646 ]    - [   -0.0019731691627298,   -0.0089203345366164,    0.0040662310817390 ]    - [   -0.0062615402576900,   -0.0075472548290896,    0.0019575643402227 ]    - [   -0.0052353210184244,   -0.0058311998067836,    0.0062119660855007 ]    - [    0.0014568737076103,   -0.0097688026842106,    0.0015646127690371 ]    - [    0.0082785156442543,    0.0049217153213107,    0.0026912630907831 ]    - [   -0.0045469715390901,   -0.0068232871582029,   -0.0057243167434557 ]    - [    0.0034408982770903,    0.0051786194757194,   -0.0078321210008794 ]    - [    0.0075621392421658,    0.0004076772369781,   -0.0065305320880114 ]    - 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[    0.0033254296635403,    0.0071319342163038,   -0.0061706589508059 ]    - [   -0.0025167802533815,    0.0053821723966276,    0.0080435090258648 ]    - [    0.0077991470158114,   -0.0062548517801299,    0.0002239085401809 ]    - [   -0.0021138724218255,   -0.0067728477910537,   -0.0070469905763712 ]    - [    0.0094886293150673,    0.0024851475146560,   -0.0019467808175666 ]    - [    0.0097576256747677,   -0.0003361249349507,   -0.0021623508547919 ]    - [    0.0025467176761704,    0.0091499412972359,   -0.0031293455122467 ]    - [    0.0049359083588102,   -0.0072121583408437,   -0.0048602037755660 ]    - [   -0.0096473936022254,   -0.0023903968416263,    0.0011017257477627 ]    - [    0.0021521414219979,    0.0097622906593723,   -0.0002568431070757 ]    - [    0.0030640400903862,   -0.0093833210527722,   -0.0016015443625165 ]    - [   -0.0055769255898997,   -0.0081118910124644,    0.0017592967818484 ]    - [   -0.0063884592874872,   -0.0072859118568847,    0.0024704405165527 ]    - [   -0.0019180185314911,    0.0046542198006320,    0.0086405695969804 ]    - [    0.0062045653748357,    0.0076619014632336,    0.0016729119752961 ]    - [    0.0041937508041735,   -0.0086352405884615,   -0.0028009059555582 ]    - [   -0.0049463377410836,    0.0081897481569445,   -0.0029089118372609 ]    - [    0.0039039371510013,   -0.0059118110172322,    0.0070576033621595 ]    - [   -0.0074355161322089,   -0.0055701360385016,    0.0036995519134412 ]    - [    0.0096402834291994,    0.0015385457962022,   -0.0021674437103859 ]    - [   -0.0090550993308180,   -0.0021868255868889,   -0.0036363401878189 ]    - [    0.0099873661470592,    0.0004993639748287,   -0.0000561521613009 ]    - [   -0.0036136406444800,    0.0080620004975420,    0.0046846290429655 ]    - [   -0.0005990800690550,    0.0080071374224224,   -0.0059604407026078 ]    - [   -0.0081029759455632,   -0.0045652320358507,   -0.0036742941205715 ]    - [    0.0025347775009697,    0.0087549436543418,   -0.0041141055686354 ]    - [   -0.0051919673565504,    0.0006154178045774,   -0.0085243613188510 ]    - [    0.0014221163690351,    0.0044936012039427,    0.0088195880432618 ]    - [    0.0019615026291103,   -0.0089537883175173,    0.0039977721547237 ]    - [   -0.0025193683525688,   -0.0096277020399310,   -0.0009798655695467 ]    - [    0.0034486823521565,   -0.0073266521652444,   -0.0058674319837084 ]    - [    0.0087770225646389,   -0.0047843330466476,    0.0002720885858965 ]    - [   -0.0021929064653827,    0.0097529117323920,   -0.0002680932193346 ]    - [    0.0085936295940021,   -0.0048638760496759,    0.0015786830506726 ]    - [    0.0066872691220640,    0.0072951848000057,   -0.0014355174756358 ]    - [   -0.0005670512516821,    0.0056870671887288,    0.0082058344894867 ]    - [    0.0096074164612015,    0.0027434931525657,   -0.0004132726253458 ]    - [   -0.0035693622475139,   -0.0086160643122973,   -0.0036087517111016 ]    - [    0.0023028116091634,    0.0097312299444501,   -0.0000149151245365 ]    - [   -0.0019141147695209,    0.0021103690048475,   -0.0095855363601877 ]    - [   -0.0095520153022553,    0.0029589913094764,    0.0000580869686212 ]    - [   -0.0082022027952090,    0.0015991765628712,    0.0054924041754981 ]    - [    0.0096636885940802,   -0.0001288740976461,    0.0025683680078212 ]    - [    0.0092638873855449,    0.0009965908302160,   -0.0036314180735728 ]    - [    0.0013905777888852,   -0.0092182617158250,   -0.0036180028125492 ]    - [   -0.0062574240806897,    0.0037251756682926,   -0.0068532992138652 ]    - [    0.0010308845087621,    0.0059616065603579,   -0.0079621934383116 ]  - # 10    - [    0.0055260254196762,    0.0082788002600047,    0.0009615140748004 ]    - [    0.0062994682606137,    0.0073204205275351,   -0.0025938664062676 ]    - [   -0.0021682283631549,   -0.0074842860041103,   -0.0062677147967892 ]    - [   -0.0098899517078416,    0.0013053846406233,    0.0006962945903759 ]    - [   -0.0029915376302494,   -0.0090905233857282,    0.0029005322236324 ]    - [   -0.0059571787194623,    0.0006015542881826,   -0.0080093791359103 ]    - [    0.0070739481833296,   -0.0064099904088711,    0.0029784694152783 ]    - [   -0.0074252354454714,    0.0060238801709535,   -0.0029289496863736 ]    - [    0.0088612142445261,   -0.0022267367631339,   -0.0040645449315163 ]    - [    0.0098082165108683,    0.0013870773615869,    0.0013692718024205 ]    - [   -0.0078859688917270,    0.0054190784534362,   -0.0029060425589137 ]    - [   -0.0033527814054213,    0.0072617754945470,   -0.0060021224174668 ]    - [   -0.0076233211901431,   -0.0037764757678140,   -0.0052557782303888 ]    - [    0.0017200891040307,    0.0050478912059841,   -0.0084593195853297 ]    - [    0.0026391776955058,   -0.0043561553442949,   -0.0086057336530894 ]    - [   -0.0081309212212309,    0.0019348135780115,   -0.0054904113245257 ]    - [    0.0082187251202593,   -0.0019109523349117,    0.0053666394113369 ]    - [    0.0082790769181869,   -0.0047869237495635,    0.0029227121648582 ]    - 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[    0.0025436139555026,    0.0030172521238406,   -0.0091883740491205 ]    - [   -0.0078970156734819,    0.0059283474314641,    0.0015785563609304 ]    - [   -0.0072751711739672,   -0.0060433055992750,    0.0032481289726931 ]    - [   -0.0082354744459226,    0.0016607951707437,    0.0054239026587312 ]    - [   -0.0013646734088669,   -0.0092729164996120,   -0.0034857834239028 ]  forces:  - # 1    - [    0.0065012705212448,   -0.0069759265631571,    0.0093713403425701 ]    - [   -0.0161800265433111,   -0.0030071682762238,    0.0072986001386980 ]    - [    0.0025715049648471,   -0.0142008530365651,    0.0143150554752112 ]    - [    0.0087059377271258,   -0.0126541140260796,    0.0116048821405703 ]    - [    0.0204181238193069,   -0.0109763714807165,    0.0133168561821366 ]    - [    0.0077027608048702,    0.0137734872912970,    0.0072968071817593 ]    - [   -0.0115065649523306,    0.0202426683467295,    0.0024043335611363 ]    - [    0.0016429839917037,   -0.0078132876858977,   -0.0046438861613278 ]    - [    0.0131422728541968,   -0.0006620468444783,   -0.0067336515513790 ]    - [    0.0096247589891348,    0.0120111053898481,   -0.0029858848495904 ]    - [   -0.0147865812903588,    0.0028860682092108,    0.0032099603948344 ]    - [   -0.0181449356452346,    0.0050376718874405,   -0.0162778838465530 ]    - [   -0.0045746121806321,    0.0221507808857402,    0.0010604339726472 ]    - [   -0.0106809163940081,    0.0053896137816667,   -0.0013985094029827 ]    - [   -0.0085670486899181,    0.0076284913822523,   -0.0060198237855606 ]    - [   -0.0057701911916150,    0.0135722887110073,   -0.0035821207155655 ]    - [    0.0109569993344242,    0.0000867937645669,   -0.0005702165657759 ]    - [   -0.0076526134993461,   -0.0195141717152967,   -0.0074737078650004 ]    - [    0.0045846582560017,   -0.0043005270945278,   -0.0056700167374741 ]    - [    0.0104694262076850,   -0.0091224077407567,    0.0135946496688684 ]    - [   -0.0158367307970961,    0.0055487943977335,   -0.0030221129877635 ]    - 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[   -0.0188715581581242,   -0.0113635552570842,    0.0176716494698548 ]    - [    0.0119896716441597,    0.0012120035505374,    0.0249570286088434 ]    - [    0.0029921728102019,    0.0043095140486618,    0.0062252908077856 ]    - [   -0.0072877254619656,   -0.0162864927410143,   -0.0131347907752267 ]    - [    0.0034326618203232,    0.0476160381084104,    0.0095218483001526 ]    - [    0.0080490226254069,    0.0226058561291330,    0.0003706658799692 ]    - [    0.0027990727325288,   -0.0126214205562143,    0.0009510781133705 ]    - [   -0.0168220516103649,   -0.0384525685862345,    0.0005521995793401 ]    - [    0.0025397545559335,    0.0108003188422250,   -0.0118100053039428 ]    - [    0.0168629817778115,    0.0018941351115599,   -0.0101094076886703 ]    - [    0.0335524807922119,    0.0005268066175436,   -0.0408238100910330 ]    - [   -0.0079423532767840,    0.0200171290550198,   -0.0049514821185251 ]    - [   -0.0049570401030194,    0.0049174913346684,    0.0000577357610681 ]    - [   -0.0304126381244548,    0.0035591906028492,    0.0177047859574069 ]    - [   -0.0175036975789017,    0.0087101819513956,   -0.0063422844591269 ]    - [    0.0030589492685271,    0.0049601544838850,   -0.0102349039907944 ]    - [    0.0042916621641976,    0.0140032854101903,    0.0078192387463049 ]    - [   -0.0100243899085099,   -0.0287835762430471,   -0.0152306334045788 ]    - [   -0.0125817500742357,    0.0033036273384833,   -0.0058326035110312 ]    - [   -0.0154216075570356,    0.0324838531074189,   -0.0058871230859298 ]    - [    0.0021199797186558,   -0.0065772583653680,   -0.0057053014680683 ]  - # 2    - [    0.0040356879452188,    0.0226842697824575,   -0.0039390232072990 ]    - [   -0.0039987587269867,    0.0154910602837552,    0.0091824505733320 ]    - [   -0.0023029383431561,   -0.0210274009282726,    0.0053789078355183 ]    - [   -0.0128896454045095,    0.0168674347709998,   -0.0250791677040455 ]    - [   -0.0207172253666301,    0.0153735428348317,   -0.0159698042082566 ]    - 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[   -0.0138826493987309,    0.0202056321523356,   -0.0060435614217306 ]  - # 4    - [   -0.0097972866616873,   -0.0131173857127880,   -0.0075108367157335 ]    - [   -0.0111803511250743,    0.0056843858902510,    0.0033442317898989 ]    - [    0.0095421626360164,   -0.0165383659630396,    0.0123060703440643 ]    - [    0.0101655567349590,    0.0068988394782181,    0.0145938553456198 ]    - [    0.0240188840882959,   -0.0104752002037043,    0.0187696215341345 ]    - [    0.0052100897057234,    0.0032123330928767,   -0.0126546368423840 ]    - [    0.0153187656582574,   -0.0073543655473771,    0.0118648883509435 ]    - [   -0.0003499535197181,    0.0077521292181198,   -0.0081422776719272 ]    - [    0.0103283334816502,    0.0015736289065755,   -0.0052033644410135 ]    - [   -0.0230281006792402,    0.0100808827824971,   -0.0069605534046985 ]    - [   -0.0154967077301475,   -0.0004081797163740,   -0.0066994179544874 ]    - [   -0.0231636460438520,   -0.0179785404609990,   -0.0183507065057432 ]    - 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