# Fileset

[phonopy_mlp_eval_fc2_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/bbf5613c-a563-40b5-9ceb-d572b594127c/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 SmBr3 / Cmcm (63) / materials id 27976](https://mdr.nims.go.jp/datasets/d5378718-c5a9-4f8c-9f65-8b687f30a6cf)

## Fulltext

phonopy:  version: "2.44.0"  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05space_group:  type: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   4,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     1.996165100000000,    -6.602099550000000,     0.000000000000000 ] # a  - [     1.996165100000000,     6.602099550000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.998725080000000 ] # c  points:  - symbol: Br # 1    coordinates: [  0.650308950178736,  0.349691049821264,  0.434123392093937 ]    mass: 79.904000  - symbol: Br # 2    coordinates: [  0.349691049821264,  0.650308950178736,  0.565876607906063 ]    mass: 79.904000  - symbol: Br # 3    coordinates: [  0.087491783539532,  0.912508216460468,  0.750000000000000 ]    mass: 79.904000  - symbol: Br # 4    coordinates: [  0.912508216460469,  0.087491783539531,  0.250000000000000 ]    mass: 79.904000  - symbol: Br # 5    coordinates: [  0.650308950178736,  0.349691049821264,  0.065876607906063 ]    mass: 79.904000  - symbol: Br # 6    coordinates: [  0.349691049821264,  0.650308950178736,  0.934123392093937 ]    mass: 79.904000  - symbol: Sm # 7    coordinates: [  0.258522289978191,  0.741477710021809,  0.250000000000000 ]    mass: 150.360000  - symbol: Sm # 8    coordinates: [  0.741477710021809,  0.258522289978191,  0.750000000000000 ]    mass: 150.360000  reciprocal_lattice: # without 2pi  - [     0.250480283419443,    -0.075733483903617,     0.000000000000000 ] # a*  - [     0.250480283419443,     0.075733483903617,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.111126853094172 ] # c*unit_cell:  lattice:  - [     3.992330200000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.204199100000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.998725080000000 ] # c  points:  - symbol: Br # 1    coordinates: [  0.000000000000000,  0.349691049821264,  0.434123392093937 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 2    coordinates: [  0.500000000000000,  0.150308950178736,  0.565876607906063 ]    mass: 79.904000    reduced_to: 2  - symbol: Br # 3    coordinates: [  0.500000000000000,  0.412508216460468,  0.750000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 4    coordinates: [  0.000000000000000,  0.087491783539531,  0.250000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Br # 5    coordinates: [  0.000000000000000,  0.349691049821264,  0.065876607906063 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 6    coordinates: [  0.500000000000000,  0.150308950178736,  0.934123392093937 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 7    coordinates: [  0.500000000000000,  0.849691049821264,  0.434123392093937 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 8    coordinates: [  0.000000000000000,  0.650308950178736,  0.565876607906063 ]    mass: 79.904000    reduced_to: 2  - symbol: Br # 9    coordinates: [  0.000000000000000,  0.912508216460469,  0.750000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 10    coordinates: [  0.500000000000000,  0.587491783539531,  0.250000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Br # 11    coordinates: [  0.500000000000000,  0.849691049821264,  0.065876607906063 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 12    coordinates: [  0.000000000000000,  0.650308950178736,  0.934123392093937 ]    mass: 79.904000    reduced_to: 6  - symbol: Sm # 13    coordinates: [  0.500000000000000,  0.241477710021809,  0.250000000000000 ]    mass: 150.360000    reduced_to: 13  - symbol: Sm # 14    coordinates: [  0.000000000000000,  0.258522289978191,  0.750000000000000 ]    mass: 150.360000    reduced_to: 14  - symbol: Sm # 15    coordinates: [  0.000000000000000,  0.741477710021809,  0.250000000000000 ]    mass: 150.360000    reduced_to: 13  - symbol: Sm # 16    coordinates: [  0.500000000000000,  0.758522289978191,  0.750000000000000 ]    mass: 150.360000    reduced_to: 14supercell:  lattice:  - [    15.969320800000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.204199100000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.997450160000000 ] # c  points:  - symbol: Br # 1    coordinates: [  0.000000000000000,  0.349691049821264,  0.217061696046969 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 2    coordinates: [  0.250000000000000,  0.349691049821264,  0.217061696046969 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 3    coordinates: [  0.500000000000000,  0.349691049821264,  0.217061696046969 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 4    coordinates: [  0.750000000000000,  0.349691049821264,  0.217061696046969 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 5    coordinates: [  0.000000000000000,  0.349691049821264,  0.717061696046968 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 6    coordinates: [  0.250000000000000,  0.349691049821264,  0.717061696046968 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 7    coordinates: [  0.500000000000000,  0.349691049821264,  0.717061696046968 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 8    coordinates: [  0.750000000000000,  0.349691049821264,  0.717061696046968 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 9    coordinates: [  0.125000000000000,  0.150308950178736,  0.282938303953031 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 10    coordinates: [  0.375000000000000,  0.150308950178736,  0.282938303953031 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 11    coordinates: [  0.625000000000000,  0.150308950178736,  0.282938303953031 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 12    coordinates: [  0.875000000000000,  0.150308950178736,  0.282938303953031 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 13    coordinates: [  0.125000000000000,  0.150308950178736,  0.782938303953032 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 14    coordinates: [  0.375000000000000,  0.150308950178736,  0.782938303953032 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 15    coordinates: [  0.625000000000000,  0.150308950178736,  0.782938303953032 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 16    coordinates: [  0.875000000000000,  0.150308950178736,  0.782938303953032 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 17    coordinates: [  0.125000000000000,  0.412508216460468,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 18    coordinates: [  0.375000000000000,  0.412508216460468,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 19    coordinates: [  0.625000000000000,  0.412508216460468,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 20    coordinates: [  0.875000000000000,  0.412508216460468,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 21    coordinates: [  0.125000000000000,  0.412508216460468,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 22    coordinates: [  0.375000000000000,  0.412508216460468,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 23    coordinates: [  0.625000000000000,  0.412508216460468,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 24    coordinates: [  0.875000000000000,  0.412508216460468,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 25    coordinates: [  0.000000000000000,  0.087491783539531,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 26    coordinates: [  0.250000000000000,  0.087491783539531,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 27    coordinates: [  0.500000000000000,  0.087491783539531,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 28    coordinates: [  0.750000000000000,  0.087491783539531,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 29    coordinates: [  0.000000000000000,  0.087491783539531,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 30    coordinates: [  0.250000000000000,  0.087491783539531,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 31    coordinates: [  0.500000000000000,  0.087491783539531,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 32    coordinates: [  0.750000000000000,  0.087491783539531,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 33    coordinates: [  0.000000000000000,  0.349691049821264,  0.032938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 34    coordinates: [  0.250000000000000,  0.349691049821264,  0.032938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 35    coordinates: [  0.500000000000000,  0.349691049821264,  0.032938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 36    coordinates: [  0.750000000000000,  0.349691049821264,  0.032938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 37    coordinates: [  0.000000000000000,  0.349691049821264,  0.532938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 38    coordinates: [  0.250000000000000,  0.349691049821264,  0.532938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 39    coordinates: [  0.500000000000000,  0.349691049821264,  0.532938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 40    coordinates: [  0.750000000000000,  0.349691049821264,  0.532938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 41    coordinates: [  0.125000000000000,  0.150308950178736,  0.467061696046969 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 42    coordinates: [  0.375000000000000,  0.150308950178736,  0.467061696046969 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 43    coordinates: [  0.625000000000000,  0.150308950178736,  0.467061696046969 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 44    coordinates: [  0.875000000000000,  0.150308950178736,  0.467061696046969 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 45    coordinates: [  0.125000000000000,  0.150308950178736,  0.967061696046968 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 46    coordinates: [  0.375000000000000,  0.150308950178736,  0.967061696046968 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 47    coordinates: [  0.625000000000000,  0.150308950178736,  0.967061696046968 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 48    coordinates: [  0.875000000000000,  0.150308950178736,  0.967061696046968 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 49    coordinates: [  0.125000000000000,  0.849691049821264,  0.217061696046969 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 50    coordinates: [  0.375000000000000,  0.849691049821264,  0.217061696046969 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 51    coordinates: [  0.625000000000000,  0.849691049821264,  0.217061696046969 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 52    coordinates: [  0.875000000000000,  0.849691049821264,  0.217061696046969 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 53    coordinates: [  0.125000000000000,  0.849691049821264,  0.717061696046968 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 54    coordinates: [  0.375000000000000,  0.849691049821264,  0.717061696046968 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 55    coordinates: [  0.625000000000000,  0.849691049821264,  0.717061696046968 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 56    coordinates: [  0.875000000000000,  0.849691049821264,  0.717061696046968 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 57    coordinates: [  0.000000000000000,  0.650308950178736,  0.282938303953031 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 58    coordinates: [  0.250000000000000,  0.650308950178736,  0.282938303953031 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 59    coordinates: [  0.500000000000000,  0.650308950178736,  0.282938303953031 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 60    coordinates: [  0.750000000000000,  0.650308950178736,  0.282938303953031 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 61    coordinates: [  0.000000000000000,  0.650308950178736,  0.782938303953032 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 62    coordinates: [  0.250000000000000,  0.650308950178736,  0.782938303953032 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 63    coordinates: [  0.500000000000000,  0.650308950178736,  0.782938303953032 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 64    coordinates: [  0.750000000000000,  0.650308950178736,  0.782938303953032 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 65    coordinates: [  0.000000000000000,  0.912508216460469,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 66    coordinates: [  0.250000000000000,  0.912508216460469,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 67    coordinates: [  0.500000000000000,  0.912508216460469,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 68    coordinates: [  0.750000000000000,  0.912508216460469,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 69    coordinates: [  0.000000000000000,  0.912508216460469,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 70    coordinates: [  0.250000000000000,  0.912508216460469,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 71    coordinates: [  0.500000000000000,  0.912508216460469,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 72    coordinates: [  0.750000000000000,  0.912508216460469,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 73    coordinates: [  0.125000000000000,  0.587491783539531,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 74    coordinates: [  0.375000000000000,  0.587491783539531,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 75    coordinates: [  0.625000000000000,  0.587491783539531,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 76    coordinates: [  0.875000000000000,  0.587491783539531,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 77    coordinates: [  0.125000000000000,  0.587491783539531,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 78    coordinates: [  0.375000000000000,  0.587491783539531,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 79    coordinates: [  0.625000000000000,  0.587491783539531,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 80    coordinates: [  0.875000000000000,  0.587491783539531,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 81    coordinates: [  0.125000000000000,  0.849691049821264,  0.032938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 82    coordinates: [  0.375000000000000,  0.849691049821264,  0.032938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 83    coordinates: [  0.625000000000000,  0.849691049821264,  0.032938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 84    coordinates: [  0.875000000000000,  0.849691049821264,  0.032938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 85    coordinates: [  0.125000000000000,  0.849691049821264,  0.532938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 86    coordinates: [  0.375000000000000,  0.849691049821264,  0.532938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 87    coordinates: [  0.625000000000000,  0.849691049821264,  0.532938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 88    coordinates: [  0.875000000000000,  0.849691049821264,  0.532938303953032 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 89    coordinates: [  0.000000000000000,  0.650308950178736,  0.467061696046969 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 90    coordinates: [  0.250000000000000,  0.650308950178736,  0.467061696046969 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 91    coordinates: [  0.500000000000000,  0.650308950178736,  0.467061696046969 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 92    coordinates: [  0.750000000000000,  0.650308950178736,  0.467061696046969 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 93    coordinates: [  0.000000000000000,  0.650308950178736,  0.967061696046968 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 94    coordinates: [  0.250000000000000,  0.650308950178736,  0.967061696046968 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 95    coordinates: [  0.500000000000000,  0.650308950178736,  0.967061696046968 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 96    coordinates: [  0.750000000000000,  0.650308950178736,  0.967061696046968 ]    mass: 79.904000    reduced_to: 41  - symbol: Sm # 97    coordinates: [  0.125000000000000,  0.241477710021809,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 98    coordinates: [  0.375000000000000,  0.241477710021809,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 99    coordinates: [  0.625000000000000,  0.241477710021809,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 100    coordinates: [  0.875000000000000,  0.241477710021809,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 101    coordinates: [  0.125000000000000,  0.241477710021809,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 102    coordinates: [  0.375000000000000,  0.241477710021809,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 103    coordinates: [  0.625000000000000,  0.241477710021809,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 104    coordinates: [  0.875000000000000,  0.241477710021809,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 105    coordinates: [  0.000000000000000,  0.258522289978191,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 106    coordinates: [  0.250000000000000,  0.258522289978191,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 107    coordinates: [  0.500000000000000,  0.258522289978191,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 108    coordinates: [  0.750000000000000,  0.258522289978191,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 109    coordinates: [  0.000000000000000,  0.258522289978191,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 110    coordinates: [  0.250000000000000,  0.258522289978191,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 111    coordinates: [  0.500000000000000,  0.258522289978191,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 112    coordinates: [  0.750000000000000,  0.258522289978191,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 113    coordinates: [  0.000000000000000,  0.741477710021809,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 114    coordinates: [  0.250000000000000,  0.741477710021809,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 115    coordinates: [  0.500000000000000,  0.741477710021809,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 116    coordinates: [  0.750000000000000,  0.741477710021809,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 117    coordinates: [  0.000000000000000,  0.741477710021809,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 118    coordinates: [  0.250000000000000,  0.741477710021809,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 119    coordinates: [  0.500000000000000,  0.741477710021809,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 120    coordinates: [  0.750000000000000,  0.741477710021809,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 121    coordinates: [  0.125000000000000,  0.758522289978191,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 122    coordinates: [  0.375000000000000,  0.758522289978191,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 123    coordinates: [  0.625000000000000,  0.758522289978191,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 124    coordinates: [  0.875000000000000,  0.758522289978191,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 125    coordinates: [  0.125000000000000,  0.758522289978191,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 126    coordinates: [  0.375000000000000,  0.758522289978191,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 127    coordinates: [  0.625000000000000,  0.758522289978191,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 128    coordinates: [  0.875000000000000,  0.758522289978191,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105nac:  born_effective_charge:  - # 1 (Br)    - [ -1.351709690000001,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000, -0.558702150000000, -0.139293720000000 ]    - [  0.000000000000000, -0.090405820000000, -1.612490952500000 ]  - # 2 (Br)    - [ -1.351709690000001,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000, -0.558702150000000, -0.139293720000000 ]    - [  0.000000000000000, -0.090405820000000, -1.612490952500000 ]  - # 3 (Br)    - [ -1.862349520000000,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000, -1.066792050000000,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000, -0.572698232499999 ]  - # 4 (Br)    - [ -1.862349520000000,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000, -1.066792050000000,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000, -0.572698232499999 ]  - # 5 (Br)    - [ -1.351709690000001,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000, -0.558702150000000,  0.139293720000000 ]    - [  0.000000000000000,  0.090405820000000, -1.612490952500000 ]  - # 6 (Br)    - [ -1.351709690000001,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000, -0.558702150000000,  0.139293720000000 ]    - [  0.000000000000000,  0.090405820000000, -1.612490952500000 ]  - # 7 (Sm)    - [  4.565768900000000,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000,  2.184196350000000,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000,  3.797680137500000 ]  - # 8 (Sm)    - [  4.565768900000000,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000,  2.184196350000000,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000,  3.797680137500000 ]  dielectric_constant:    - [  4.861163750000000,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000,  3.610358340000000,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000,  4.871780360000000 ]  unit_conversion_factor: 14.399652dataset:  displacements:  - # 1    - [   -0.0013112377873474,    0.0030912828907989,    0.0094193750086769 ]    - [    0.0048069716862335,    0.0020929301705298,   -0.0085154369535001 ]    - [   -0.0074505093750401,    0.0014932418673918,    0.0065007798592098 ]    - [    0.0021243576319297,   -0.0011957876383848,    0.0096983089544285 ]    - [    0.0078847435409168,    0.0004512646690300,    0.0061340997295819 ]    - [   -0.0034994617222216,    0.0022907605246542,    0.0090832914669404 ]    - [    0.0082462801523612,   -0.0047638277722986,   -0.0030503784363010 ]    - [    0.0017469980492134,    0.0091021306325432,    0.0037548922440150 ]    - [    0.0008570982538980,   -0.0064018515353398,    0.0076342438723578 ]    - [   -0.0008642441482227,    0.0099456474319084,   -0.0005806713463197 ]    - [    0.0005998654166145,    0.0017416233972017,   -0.0098288813923187 ]    - [   -0.0076260954250375,    0.0059533637360253,   -0.0025298475833143 ]    - [   -0.0025413734906505,   -0.0067498508183407,    0.0069268271749167 ]    - [   -0.0082626751776811,    0.0028242918807087,   -0.0048735586875194 ]    - [   -0.0040524214109620,   -0.0006676065122791,   -0.0091176851367405 ]    - [    0.0058725410403928,    0.0029749879802602,   -0.0075274635997931 ]    - [   -0.0078323584748095,   -0.0049977794655977,    0.0036981564508995 ]    - [    0.0083024364539060,   -0.0022923370667501,   -0.0050808207704323 ]    - [   -0.0030714865431929,    0.0092352167483146,    0.0022971160237641 ]    - [    0.0088909121221255,   -0.0024637300765747,    0.0038576826912570 ]    - [    0.0078041893877686,   -0.0004289318027265,    0.0062378398110603 ]    - [   -0.0062399820131955,    0.0060335769248107,    0.0049657400221305 ]    - [    0.0067328323900178,    0.0073617077280221,    0.0006886416594331 ]    - [    0.0093547029360588,   -0.0004794247135175,    0.0035013832869540 ]    - [    0.0025838077381389,   -0.0075004721744229,    0.0060882554753428 ]    - [    0.0091312153256935,   -0.0006811344724128,   -0.0040195724282951 ]    - [   -0.0083643992439613,   -0.0026745935777868,    0.0047836570196118 ]    - [   -0.0088796365842438,   -0.0036663206363451,    0.0027767151678322 ]    - [   -0.0089489163800407,    0.0007132908321541,    0.0044054638588694 ]    - [    0.0010639951180358,   -0.0061303434400810,    0.0078285888699977 ]    - [    0.0095634160623795,    0.0016562200125857,   -0.0024079054150305 ]    - [    0.0014647326222580,   -0.0067919038167967,   -0.0071919817080326 ]    - [    0.0052406172612064,    0.0075651930523048,   -0.0039120052150917 ]    - [    0.0048423240555419,   -0.0035714418112387,   -0.0079872837141332 ]    - [   -0.0009768109445422,    0.0056757528102954,   -0.0081750639395082 ]    - [   -0.0006715683974878,    0.0083279959165259,   -0.0054948594069206 ]    - [    0.0083293549215884,   -0.0049425490059295,   -0.0024885851229558 ]    - [   -0.0085681503575058,    0.0028166486616785,   -0.0043189454462679 ]    - [   -0.0007360327178335,   -0.0007037353942268,   -0.0099480154972332 ]    - [   -0.0025863259463915,    0.0050585823980448,   -0.0082293172390675 ]    - [    0.0092130495735412,   -0.0038855284533310,   -0.0001496201651761 ]    - [    0.0078942251182324,   -0.0040747301419957,    0.0045910547864929 ]    - [   -0.0017380370562032,    0.0089050619723881,    0.0042046520021510 ]    - [    0.0023100880841092,   -0.0079303287877132,    0.0056367879472643 ]    - [   -0.0085334015117554,   -0.0050221999511300,   -0.0013994878670573 ]    - [    0.0036612340856750,    0.0092927321661477,    0.0004904017313759 ]    - [    0.0021972949014641,   -0.0064621650989453,   -0.0073083730987117 ]    - [    0.0029450802442035,    0.0065714801783338,   -0.0069384544835985 ]    - [   -0.0041330803077314,   -0.0053285592113235,   -0.0073840438718403 ]    - [    0.0096726300245352,    0.0009778856636280,    0.0023417873595465 ]    - [   -0.0002250603617048,    0.0097515959656345,    0.0022035707287515 ]    - [   -0.0013012503897335,    0.0089486069396425,   -0.0042695645284972 ]    - [   -0.0024301773423846,   -0.0056569936221111,    0.0078798896720674 ]    - [    0.0078230446819251,   -0.0009021201665732,    0.0061632906072702 ]    - [    0.0059155159779861,   -0.0008978593601957,   -0.0080125226541645 ]    - [    0.0006895570405180,    0.0085934014390393,    0.0050673427746098 ]    - [   -0.0051822730101596,   -0.0070677979429975,   -0.0048156285867093 ]    - [   -0.0089357714261009,   -0.0034816697092837,    0.0028337192973080 ]    - [    0.0004672783103327,    0.0090824258659596,   -0.0041582678328892 ]    - [   -0.0036706960233789,   -0.0017250602762148,    0.0091405775390495 ]    - [    0.0094501642024530,   -0.0025935632359197,    0.0019919403324302 ]    - [   -0.0039229241552513,    0.0040349899679016,    0.0082661673120667 ]    - [    0.0014580773765907,   -0.0097205295816253,    0.0018399225572350 ]    - [   -0.0041056422465059,    0.0004325101745229,   -0.0091080533975510 ]    - [   -0.0076304047114277,   -0.0062460009965237,   -0.0016626471337138 ]    - [   -0.0071274625418612,   -0.0047542516266681,   -0.0051571667788322 ]    - [    0.0072865283781516,    0.0023975771559778,   -0.0064154600751252 ]    - [   -0.0097220084802820,   -0.0017771825916261,    0.0015245239077649 ]    - [    0.0085982352902388,   -0.0045264951803176,   -0.0023624545024728 ]    - [    0.0045784606184954,    0.0078263603076688,   -0.0042173193736581 ]    - [   -0.0024326648367758,   -0.0019335817863197,    0.0095049146901762 ]    - [   -0.0071197392059256,   -0.0046777759412740,   -0.0052371486405146 ]    - [    0.0001593286265702,    0.0071133902689281,   -0.0070266843724957 ]    - [    0.0069666368468878,   -0.0071587517769097,   -0.0004671659664168 ]    - [    0.0059860149119411,    0.0031171180178835,    0.0073791056867756 ]    - [    0.0096383324617906,    0.0018833894029058,   -0.0018855746373493 ]    - [   -0.0057733146727096,    0.0075381263082550,   -0.0031377522927519 ]    - [   -0.0098700073264412,    0.0010650870081614,    0.0012035551674279 ]    - [   -0.0019654517895796,   -0.0018626813186310,    0.0096263917210999 ]    - [   -0.0005714704246914,   -0.0040529518934785,   -0.0091239795321369 ]    - [   -0.0073340486598395,   -0.0016099264304119,    0.0066045338324341 ]    - [    0.0029635316244488,    0.0031085476127476,   -0.0090307481445434 ]    - [   -0.0013772384987793,    0.0065094594767297,   -0.0074652629852065 ]    - [   -0.0031948178002691,    0.0094743162575488,   -0.0001745585146320 ]    - [    0.0063960738450281,    0.0056797097752933,   -0.0051798780137552 ]    - [    0.0017289043435203,    0.0083319472480718,   -0.0052525750662227 ]    - [   -0.0007747980529937,    0.0015484209901827,    0.0098489634182608 ]    - [    0.0052233059619580,   -0.0056364167720290,   -0.0063990531174357 ]    - [    0.0038826250080512,    0.0011685456625866,   -0.0091411008134308 ]    - [   -0.0050203515553669,   -0.0046362780811127,    0.0073007530991754 ]    - [   -0.0089217663225514,   -0.0041022648670337,    0.0018903726210696 ]    - [   -0.0099552117575178,   -0.0008591606605480,   -0.0003944639683752 ]    - [   -0.0097971185443988,   -0.0017547621093442,    0.0009681312755029 ]    - [    0.0035589581379684,    0.0018251058140325,   -0.0091653044542870 ]    - [   -0.0063199651032470,   -0.0075495142775360,   -0.0017501072158646 ]    - [    0.0007258181994675,   -0.0099639800332887,   -0.0004385086516199 ]    - [    0.0042343350469537,   -0.0088656201368924,    0.0018631119930018 ]    - [    0.0099421021359653,   -0.0002965294193426,   -0.0010327997973952 ]    - [   -0.0005880231956083,   -0.0096338521074351,   -0.0026159362173981 ]    - [    0.0012428367937199,   -0.0030153387398999,    0.0094532052229831 ]    - [    0.0040701353508613,    0.0047194230629531,    0.0078205526773071 ]    - [   -0.0064521136209736,   -0.0074076321785201,   -0.0018700843108802 ]    - [   -0.0007390279369720,    0.0050027958397473,    0.0086270430330549 ]    - [   -0.0030189358475377,    0.0007154889868271,   -0.0095065294328783 ]    - [   -0.0068112745998375,   -0.0047429735162840,    0.0055777002921847 ]    - [   -0.0074406837595358,    0.0066576551103749,    0.0005584385569423 ]    - [   -0.0036205863747365,   -0.0091240376554701,    0.0019087407274525 ]    - [   -0.0034650727479701,    0.0093727710406984,    0.0003800445630725 ]    - [    0.0030805479662162,    0.0090834830144619,    0.0028285262158629 ]    - [    0.0034673252388914,   -0.0091886598177386,    0.0018831320828933 ]    - [   -0.0011086221389618,   -0.0068034806851334,    0.0072445570961944 ]    - [   -0.0005752347637071,    0.0073257143639369,    0.0067825521763295 ]    - [    0.0095954731623863,   -0.0001673330731139,   -0.0028104971860094 ]    - [   -0.0024614695097179,    0.0082998218363007,   -0.0050054096074542 ]    - [   -0.0066890991864205,   -0.0064816151437938,   -0.0036393154853587 ]    - [   -0.0035218373325405,    0.0017412381600352,    0.0091959094967905 ]    - [   -0.0071906361541612,   -0.0007590848393949,    0.0069078608776574 ]    - [    0.0057947025772920,   -0.0031467066213581,    0.0075179558045939 ]    - [   -0.0093279687155570,    0.0004823056553565,    0.0035716076067229 ]    - [   -0.0090145620603320,   -0.0042907445952100,   -0.0005719979712363 ]    - [    0.0055220637114815,   -0.0080356267295106,   -0.0022216019963788 ]    - [   -0.0042407170364135,   -0.0030021662563296,    0.0085441978433571 ]    - [    0.0073551964226760,    0.0065805562135098,    0.0016116344202989 ]    - [    0.0066138690489138,   -0.0074412254598321,    0.0009406911606719 ]    - [    0.0025083656139551,    0.0040432325426788,    0.0087954745495937 ]    - [    0.0039334028043044,    0.0058715926123280,   -0.0070747962920458 ]    - [   -0.0006674127884663,    0.0074891345619147,   -0.0065929829124097 ]    - [   -0.0027013979254504,    0.0096046197306744,   -0.0006735941489590 ]  - # 2    - [   -0.0099087079311321,    0.0002241887352997,   -0.0013293782556085 ]    - [    0.0036736257625298,   -0.0080157880640960,   -0.0047171618022253 ]    - [   -0.0076012204063738,   -0.0027560525668573,    0.0058843540497192 ]    - [    0.0050604401559404,   -0.0021947694155998,   -0.0083411589506791 ]    - [   -0.0086502877813466,    0.0032171960365161,   -0.0038499572676214 ]    - [    0.0082455228806334,   -0.0022510574105070,    0.0051907699775229 ]    - [   -0.0030780391091341,   -0.0091443804052180,   -0.0026279235619223 ]    - [   -0.0019339726774791,   -0.0066664598635805,   -0.0071984764061594 ]    - [   -0.0028151814775990,   -0.0095583988306862,    0.0008436616867683 ]    - [    0.0017425295278447,    0.0098193807056243,   -0.0007371250929133 ]    - 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[    0.0090691741163382,    0.0034313428610141,   -0.0024445791084987 ]    - [    0.0050471362805746,    0.0010749653968595,   -0.0085656794687207 ]    - [    0.0078877492493708,    0.0061242154906243,   -0.0005266843489680 ]    - [    0.0044639466082948,   -0.0083101627939493,    0.0033187911980651 ]    - [    0.0079450831424526,   -0.0003873283304485,    0.0060601675409140 ]    - [   -0.0078217595131129,    0.0028382278937364,   -0.0055465791747928 ]    - [   -0.0073237248067478,    0.0032305223821994,   -0.0059938952354154 ]    - [    0.0081826693254004,   -0.0023815978285916,    0.0052318175134459 ]    - [    0.0090278251641617,    0.0001228894991109,   -0.0042992174841868 ]    - [   -0.0065328780601244,   -0.0071340319445382,    0.0025351710920281 ]  - # 5    - [   -0.0085924464790997,   -0.0051001924667776,    0.0003973667142976 ]    - [   -0.0056002145738151,    0.0082498733839204,   -0.0007597275014841 ]    - [    0.0005407894261070,   -0.0057395828313300,    0.0081709690807708 ]    - 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[    0.0042617334719599,    0.0084439332097455,   -0.0032461700145453 ]    - [    0.0078737920587695,   -0.0000173473355935,    0.0061646652532969 ]    - [   -0.0014283832411871,   -0.0070001291612228,    0.0069969931429504 ]    - [    0.0093341561802089,   -0.0029449429789670,   -0.0020495948999987 ]    - [    0.0048956684087465,   -0.0065050485248102,    0.0058066147212869 ]    - [    0.0024797123961109,    0.0055234305650983,    0.0079588153154293 ]    - [   -0.0088510198228538,   -0.0034204917368965,    0.0031558967621378 ]    - [    0.0042959788775718,    0.0059494932591970,   -0.0067932389507676 ]    - [    0.0056961772626480,   -0.0013523743238531,   -0.0081070739654129 ]    - [    0.0086506118190609,    0.0026644847060142,   -0.0042505807141307 ]    - [   -0.0058599137459340,   -0.0080830951261546,   -0.0005700737423783 ]    - [   -0.0031577509258055,   -0.0092406975370328,    0.0021536290580439 ]    - [   -0.0099024998052519,   -0.0012570059168776,   -0.0006003613344648 ]    - [   -0.0095826749607528,    0.0020157454488459,    0.0020270941966319 ]    - [   -0.0052091513432514,    0.0015204436513922,   -0.0083995829292914 ]    - [    0.0026904052491774,   -0.0042094579178322,    0.0086626891686819 ]    - [    0.0095627667618052,    0.0018713577614844,    0.0022475568931279 ]    - [   -0.0082638356005369,    0.0014074488638296,   -0.0054523489307824 ]    - [    0.0097341259536164,    0.0007058489366342,   -0.0021791211985073 ]    - [   -0.0017783950313300,   -0.0086156033928551,   -0.0047548595446726 ]    - [   -0.0074774002321897,    0.0059823855501337,    0.0028808937670802 ]    - [    0.0030651133461454,   -0.0005747831406443,    0.0095013001487434 ]    - [    0.0081342197707418,    0.0005592243327558,   -0.0057897959261900 ]    - [   -0.0086920520530376,    0.0048233545323433,   -0.0010878796636614 ]    - [   -0.0009775709283177,   -0.0095112871127107,    0.0029291248760835 ]    - [   -0.0026767632732350,    0.0065211983728725,   -0.0070928774246215 ]    - [   -0.0023269983986805,    0.0059907428831081,    0.0076613365779757 ]    - [    0.0095505601238857,   -0.0005791700172481,   -0.0029071228751407 ]    - [   -0.0028928379177110,    0.0078306472387483,    0.0055056745821141 ]    - [   -0.0079335117400165,    0.0044686955046580,    0.0041340237006661 ]    - [    0.0028037183827910,   -0.0001093973990300,   -0.0095982912770496 ]    - [   -0.0026067338878986,    0.0093794428885395,    0.0022871356624187 ]    - [    0.0061740052753014,    0.0073933570742198,   -0.0026869927490847 ]    - [    0.0079048052704274,    0.0059950806943330,    0.0012542173276823 ]    - [    0.0082023445828626,   -0.0028991787344521,    0.0049311566604283 ]    - [    0.0052366204155801,    0.0015237571326015,    0.0083818834890480 ]    - [   -0.0012220763114013,   -0.0076967537207021,   -0.0062662996777978 ]    - [   -0.0068201688344843,    0.0053760417668686,    0.0049581722428747 ]    - [   -0.0005520321027648,    0.0013072485789098,   -0.0098988060749999 ]    - [   -0.0072679959095837,    0.0062355241349281,    0.0028800128855621 ]    - [    0.0010100843535024,    0.0008782341039713,    0.0099100168747299 ]    - [    0.0017312009925794,    0.0079613595352643,   -0.0057982495180484 ]    - [   -0.0066956198723631,   -0.0019978322694046,    0.0071538339894172 ]    - [    0.0055068739633641,   -0.0016859853882035,    0.0081750714016690 ]    - [    0.0089352477036299,    0.0032899893174513,   -0.0030557026631911 ]    - [   -0.0070400336080131,   -0.0056922625078498,   -0.0042468899608742 ]    - [   -0.0068086913761714,    0.0065123780893377,    0.0033512166992846 ]    - [   -0.0047031332896675,   -0.0078543341492411,   -0.0040236764695594 ]    - [   -0.0008456108144208,   -0.0089509160745103,    0.0043779040393329 ]    - [   -0.0084456824189650,   -0.0051651042553727,    0.0014114342029000 ]  - # 11    - [   -0.0066192122223766,    0.0049776598284604,   -0.0056043672423630 ]    - [    0.0048589351166668,    0.0039832739541166,    0.0077797350943640 ]    - 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[   -0.0187123736735835,   -0.0225306140564938,    0.0189160440827375 ]    - [    0.0036730332523005,   -0.0447912034766389,   -0.0297501753240917 ]    - [   -0.0554142057435634,    0.0563685157350065,    0.0011897161043453 ]    - [    0.0187428279496344,    0.1066926474955004,   -0.0742090899780746 ]    - [    0.0347942367961104,   -0.0210460538775702,   -0.0819442113543194 ]    - [   -0.1548953971357507,    0.0106655258912514,    0.0038498256102453 ]    - [    0.0831409518560593,   -0.0551320682298940,    0.0145299392214134 ]    - [    0.0741781447766778,    0.0420687533002506,   -0.0017160456094399 ]    - [    0.0495951414146517,    0.0145670286723323,   -0.0563194778220732 ]    - [    0.0470817696085425,    0.0352077963747202,   -0.0348324164163938 ]    - [   -0.1052294896523139,    0.0648696658099000,   -0.0371529709563939 ]    - [    0.0788568281531238,   -0.0231465398271814,   -0.0312327221176350 ]    - [    0.0823405735747832,    0.0097417872752417,   -0.0095525756647556 ]    - [   -0.0787685319009865,    0.0320131955968105,    0.0163792551513664 ]    - [    0.0541671996802711,    0.0214101962911676,   -0.0432648272613219 ]    - [   -0.0909783475732087,   -0.0385364836948969,   -0.0004229949990911 ]    - [   -0.0660233907784722,    0.0351442027436504,   -0.0225753261031062 ]    - [   -0.0160117681542418,   -0.0325267562693452,   -0.0319653413092649 ]    - [   -0.0255139800134574,   -0.0590985137710210,    0.0425739073626565 ]    - [    0.0022336993432592,   -0.1118489505529699,    0.0528950532589217 ]    - [    0.0165878104730961,   -0.0837025812764450,    0.0051061056594938 ]  - # 2    - [    0.0693997816601637,    0.0043340864740154,    0.0086007674503294 ]    - [   -0.0075604683002072,    0.0341567313998831,    0.0406650694473332 ]    - [    0.0454817602430535,    0.0212963578931780,   -0.0388768990877642 ]    - [   -0.0247870978091928,    0.0226270982395734,    0.0481043867952487 ]    - [    0.0211200433672543,    0.0148636219246602,    0.0198662761726391 ]    - 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[    0.0104328156762140,    0.0235953664024583,   -0.0129361587954616 ]    - [    0.0161441615089590,    0.0010382916832796,    0.0876846705003575 ]    - [    0.0741835305837681,   -0.0030735983974242,    0.0446678013553192 ]    - [    0.0569565611149679,    0.0240762040160325,   -0.0526511053127852 ]    - [    0.0045212028766421,   -0.0493067557073195,    0.0008261459915203 ]    - [   -0.1047719240958132,   -0.0524322362979183,    0.0129380268543715 ]    - [   -0.0430209766078677,   -0.0214931581316819,    0.0541414945772272 ]    - [   -0.0988612760313985,   -0.0556722681905150,    0.0449161983038690 ]    - [   -0.0093518957358847,    0.0520132043018027,   -0.0156994325775575 ]    - [   -0.1178913717863499,    0.0354728393716465,   -0.0752842635492598 ]    - [    0.0977635587445187,   -0.0036855984688780,    0.0154932420183702 ]    - [    0.0433583922186984,    0.0143855446679856,    0.0309846390603925 ]    - [   -0.0498904437936499,    0.0610556806114989,   -0.0503836681827920 ]    - 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[    0.0317618073462085,    0.0432170780991054,    0.0192989160264786 ]  - # 25    - [    0.0051488117763369,    0.0016205115579560,    0.0397742218987400 ]    - [    0.0536219459587759,    0.0389554504549077,    0.0141909659678178 ]    - [   -0.0038149361595820,    0.0164139742335888,    0.0413381290930314 ]    - [    0.0087673686007603,    0.0102273268121123,    0.0197137291458953 ]    - [   -0.0189704682035314,    0.0519923723388440,    0.0274503041380163 ]    - [   -0.0096170387572622,   -0.0000656327891939,    0.0261485254214607 ]    - [    0.0257890502738666,    0.0455225894964345,    0.0272968568508754 ]    - [    0.0223636134110539,   -0.0000881320161066,   -0.0354536699627131 ]    - [   -0.0238219177091639,   -0.0193486880062426,    0.0376378547227482 ]    - [    0.0014269389783966,   -0.0201891682385826,   -0.0485338392738845 ]    - [   -0.0229430092354082,    0.0463664353293136,    0.0027349300175841 ]    - [    0.0279416543996672,    0.0280885495619263,    0.0225147101977462 ]    - 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