# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/db21da0d-a11e-4a26-b56a-920e8ceadb15/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Ab-initio phonon calculation for Na3Sc2(BO3)3 / R-3c (167) / materials id 561018](https://mdr.nims.go.jp/datasets/7ceefe65-0dae-4c44-825c-3e88cf9c1d7a)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.301651426666671,     2.483559609999997,     6.650043446666660 ] # a  - [    -4.301651423333329,     2.483559609999997,     6.650043446666660 ] # b  - [    -0.000000003333329,    -4.967119220000002,     6.650043446666660 ] # c  points:  - symbol: Na # 1    coordinates: [  0.917343420000000,  0.582656580000001,  0.250000000000000 ]    mass: 22.989769  - symbol: Na # 2    coordinates: [  0.082656580000000,  0.417343410000000,  0.750000000000000 ]    mass: 22.989769  - symbol: Na # 3    coordinates: [  0.582656580000000,  0.250000000000001,  0.917343420000000 ]    mass: 22.989769  - symbol: Na # 4    coordinates: [  0.750000000000000,  0.082656580000000,  0.417343410000000 ]    mass: 22.989769  - symbol: Na # 5    coordinates: [  0.250000000000000,  0.917343420000001,  0.582656580000000 ]    mass: 22.989769  - symbol: Na # 6    coordinates: [  0.417343410000000,  0.750000000000000,  0.082656580000000 ]    mass: 22.989769  - symbol: Sc # 7    coordinates: [  0.827561100000000,  0.827561110000002,  0.827561100000000 ]    mass: 44.955912  - symbol: Sc # 8    coordinates: [  0.172438900000000,  0.172438910000003,  0.172438900000000 ]    mass: 44.955912  - symbol: Sc # 9    coordinates: [  0.672438900000000,  0.672438910000001,  0.672438900000000 ]    mass: 44.955912  - symbol: Sc # 10    coordinates: [  0.327561100000000,  0.327561110000003,  0.327561100000000 ]    mass: 44.955912  - symbol: B  # 11    coordinates: [  0.589872080000000,  0.910127920000001,  0.250000000000000 ]    mass: 10.811000  - symbol: B  # 12    coordinates: [  0.910127920000000,  0.250000000000001,  0.589872080000000 ]    mass: 10.811000  - symbol: B  # 13    coordinates: [  0.410127910000000,  0.089872080000000,  0.750000000000000 ]    mass: 10.811000  - symbol: B  # 14    coordinates: [  0.750000000000000,  0.410127910000000,  0.089872080000000 ]    mass: 10.811000  - symbol: B  # 15    coordinates: [  0.250000000000000,  0.589872080000001,  0.910127920000000 ]    mass: 10.811000  - symbol: B  # 16    coordinates: [  0.089872080000000,  0.750000000000000,  0.410127910000000 ]    mass: 10.811000  - symbol: O  # 17    coordinates: [  0.154173640000000,  0.906032230000000,  0.314228420000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.814228420000000,  0.406032230000001,  0.654173650000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.845826350000000,  0.093967770000001,  0.685771580000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.906032230000000,  0.314228420000000,  0.154173640000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.654173650000000,  0.814228420000001,  0.406032230000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.750000000000000,  0.571372250000001,  0.928627760000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.593967760000000,  0.345826350000000,  0.185771580000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.250000000000000,  0.428627770000003,  0.071372240000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.345826350000000,  0.185771580000000,  0.593967760000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.314228420000000,  0.154173640000000,  0.906032230000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.185771580000000,  0.593967760000000,  0.345826350000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.685771580000000,  0.845826350000001,  0.093967770000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.571372240000000,  0.928627770000001,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.406032230000000,  0.654173650000001,  0.814228420000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.071372240000000,  0.250000010000003,  0.428627760000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.428627760000000,  0.071372250000003,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.093967770000000,  0.685771580000000,  0.845826350000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.928627760000000,  0.750000010000001,  0.571372240000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.116234429664417,     0.067107979128773,     0.050124985799967 ] # a*  - [    -0.116234429664417,     0.067107979284778,     0.050124985799968 ] # b*  - [    -0.000000000000000,    -0.134215958413550,     0.050124985799967 ] # c*unit_cell:  lattice:  - [     8.603302850000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.301651420000000,     7.450678830000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    19.950130340000001 ] # c  points:  - symbol: Na # 1    coordinates: [  0.667343420000000,  0.000000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.999323250000000,  0.333333330000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.332656580000000,  0.332656580000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 4    coordinates: [  0.666666670000000,  0.665989920000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 5    coordinates: [  0.000000000000000,  0.667343420000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 6    coordinates: [  0.334010080000000,  0.000676750000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 7    coordinates: [  0.334010080000000,  0.333333330000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 8    coordinates: [  0.665989920000000,  0.666666670000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 9    coordinates: [  0.999323250000000,  0.665989920000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 10    coordinates: [  0.333333330000000,  0.999323250000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 11    coordinates: [  0.666666670000000,  0.000676750000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 12    coordinates: [  0.000676750000000,  0.334010080000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 13    coordinates: [  0.000676750000000,  0.666666670000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 14    coordinates: [  0.332656580000000,  0.000000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 15    coordinates: [  0.665989920000000,  0.999323250000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 16    coordinates: [  0.000000000000000,  0.332656580000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 17    coordinates: [  0.333333330000000,  0.334010080000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 18    coordinates: [  0.667343420000000,  0.667343420000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Sc # 19    coordinates: [  0.333333330000000,  0.666666670000000,  0.494227770000000 ]    mass: 44.955912    reduced_to: 19  - symbol: Sc # 20    coordinates: [  0.333333330000000,  0.666666670000000,  0.839105570000000 ]    mass: 44.955912    reduced_to: 20  - symbol: Sc # 21    coordinates: [  0.333333330000000,  0.666666670000000,  0.339105570000000 ]    mass: 44.955912    reduced_to: 21  - symbol: Sc # 22    coordinates: [  0.333333330000000,  0.666666670000000,  0.994227770000000 ]    mass: 44.955912    reduced_to: 22  - symbol: Sc # 23    coordinates: [  0.000000000000000,  0.000000000000000,  0.827561100000000 ]    mass: 44.955912    reduced_to: 19  - symbol: Sc # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.172438900000000 ]    mass: 44.955912    reduced_to: 20  - symbol: Sc # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.672438900000000 ]    mass: 44.955912    reduced_to: 21  - symbol: Sc # 26    coordinates: [  0.000000000000000,  0.000000000000000,  0.327561100000000 ]    mass: 44.955912    reduced_to: 22  - symbol: Sc # 27    coordinates: [  0.666666670000000,  0.333333330000000,  0.160894430000000 ]    mass: 44.955912    reduced_to: 19  - symbol: Sc # 28    coordinates: [  0.666666670000000,  0.333333330000000,  0.505772230000000 ]    mass: 44.955912    reduced_to: 20  - symbol: Sc # 29    coordinates: [  0.666666670000000,  0.333333330000000,  0.005772230000000 ]    mass: 44.955912    reduced_to: 21  - symbol: Sc # 30    coordinates: [  0.666666670000000,  0.333333330000000,  0.660894430000000 ]    mass: 44.955912    reduced_to: 22  - symbol: B  # 31    coordinates: [  0.339872080000000,  0.000000000000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 32    coordinates: [  0.660127920000000,  0.660127920000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 32  - symbol: B  # 33    coordinates: [  0.326794580000000,  0.333333330000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 34    coordinates: [  0.666666670000000,  0.993461250000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 34  - symbol: B  # 35    coordinates: [  0.000000000000000,  0.339872080000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 35  - symbol: B  # 36    coordinates: [  0.006538750000000,  0.673205420000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 36  - symbol: B  # 37    coordinates: [  0.006538750000000,  0.333333330000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 38    coordinates: [  0.326794580000000,  0.993461250000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 32  - symbol: B  # 39    coordinates: [  0.993461250000000,  0.666666670000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 40    coordinates: [  0.333333330000000,  0.326794580000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 34  - symbol: B  # 41    coordinates: [  0.666666670000000,  0.673205420000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 35  - symbol: B  # 42    coordinates: [  0.673205420000000,  0.006538750000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 36  - symbol: B  # 43    coordinates: [  0.673205420000000,  0.666666670000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 44    coordinates: [  0.993461250000000,  0.326794580000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 32  - symbol: B  # 45    coordinates: [  0.660127920000000,  0.000000000000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 46    coordinates: [  0.000000000000000,  0.660127920000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 34  - symbol: B  # 47    coordinates: [  0.333333330000000,  0.006538750000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 35  - symbol: B  # 48    coordinates: [  0.339872080000000,  0.339872080000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 36  - symbol: O  # 49    coordinates: [  0.029362210000000,  0.810583010000000,  0.124811430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.522750320000000,  0.637304450000000,  0.291478100000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.637304450000000,  0.522750320000000,  0.208521900000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.781220800000000,  0.970637790000000,  0.124811430000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.362695550000000,  0.885445870000000,  0.291478100000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.333333330000000,  0.488038910000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.552112530000000,  0.856083650000000,  0.041855230000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.333333330000000,  0.845294430000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.303971120000000,  0.447887470000000,  0.041855230000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.189416990000000,  0.218779200000000,  0.124811430000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.143916350000000,  0.696028880000000,  0.041855230000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.477249680000000,  0.114554130000000,  0.208521900000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.154705570000000,  0.666666670000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.114554130000000,  0.477249680000000,  0.291478100000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.154705570000000,  0.488038910000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.511961090000000,  0.666666670000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.885445870000000,  0.362695550000000,  0.208521900000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.511961090000000,  0.845294430000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.696028880000000,  0.143916350000000,  0.458144770000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 68    coordinates: [  0.189416990000000,  0.970637790000000,  0.624811430000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 69    coordinates: [  0.303971120000000,  0.856083650000000,  0.541855230000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 70    coordinates: [  0.447887470000000,  0.303971120000000,  0.458144770000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 71    coordinates: [  0.029362210000000,  0.218779200000000,  0.624811430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 72    coordinates: [  0.000000000000000,  0.821372240000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 73    coordinates: [  0.218779200000000,  0.189416990000000,  0.375188570000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 74    coordinates: [  0.000000000000000,  0.178627760000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 75    coordinates: [  0.970637790000000,  0.781220800000000,  0.375188570000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 76    coordinates: [  0.856083650000000,  0.552112530000000,  0.458144770000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 77    coordinates: [  0.810583010000000,  0.029362210000000,  0.375188570000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 78    coordinates: [  0.143916350000000,  0.447887470000000,  0.541855230000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 79    coordinates: [  0.821372240000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 80    coordinates: [  0.781220800000000,  0.810583010000000,  0.624811430000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 81    coordinates: [  0.821372240000000,  0.821372240000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 82    coordinates: [  0.178627760000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 83    coordinates: [  0.552112530000000,  0.696028880000000,  0.541855230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 84    coordinates: [  0.178627760000000,  0.178627760000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 85    coordinates: [  0.362695550000000,  0.477249680000000,  0.791478100000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 86    coordinates: [  0.856083650000000,  0.303971120000000,  0.958144770000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 87    coordinates: [  0.970637790000000,  0.189416990000000,  0.875188570000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 88    coordinates: [  0.114554130000000,  0.637304450000000,  0.791478100000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 89    coordinates: [  0.696028880000000,  0.552112530000000,  0.958144770000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 90    coordinates: [  0.666666670000000,  0.154705570000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 91    coordinates: [  0.885445870000000,  0.522750320000000,  0.708521900000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 92    coordinates: [  0.666666670000000,  0.511961090000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 93    coordinates: [  0.637304450000000,  0.114554130000000,  0.708521900000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 94    coordinates: [  0.522750320000000,  0.885445870000000,  0.791478100000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 95    coordinates: [  0.477249680000000,  0.362695550000000,  0.708521900000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 96    coordinates: [  0.810583010000000,  0.781220800000000,  0.875188570000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 97    coordinates: [  0.488038910000000,  0.333333330000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 98    coordinates: [  0.447887470000000,  0.143916350000000,  0.958144770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 99    coordinates: [  0.488038910000000,  0.154705570000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 100    coordinates: [  0.845294430000000,  0.333333330000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 101    coordinates: [  0.218779200000000,  0.029362210000000,  0.875188570000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 102    coordinates: [  0.845294430000000,  0.511961090000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 66supercell:  lattice:  - [     8.603302850000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.301651420000000,     7.450678830000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    19.950130340000001 ] # c  points:  - symbol: Na # 1    coordinates: [  0.667343420000000,  0.000000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.999323250000000,  0.333333330000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.332656580000000,  0.332656580000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 4    coordinates: [  0.666666670000000,  0.665989920000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 5    coordinates: [  0.000000000000000,  0.667343420000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 6    coordinates: [  0.334010080000000,  0.000676750000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 7    coordinates: [  0.334010080000000,  0.333333330000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 8    coordinates: [  0.665989920000000,  0.666666670000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 9    coordinates: [  0.999323250000000,  0.665989920000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 10    coordinates: [  0.333333330000000,  0.999323250000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 11    coordinates: [  0.666666670000000,  0.000676750000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 12    coordinates: [  0.000676750000000,  0.334010080000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 13    coordinates: [  0.000676750000000,  0.666666670000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 14    coordinates: [  0.332656580000000,  0.000000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 15    coordinates: [  0.665989920000000,  0.999323250000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 16    coordinates: [  0.000000000000000,  0.332656580000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 17    coordinates: [  0.333333330000000,  0.334010080000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 18    coordinates: [  0.667343420000000,  0.667343420000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Sc # 19    coordinates: [  0.333333330000000,  0.666666670000000,  0.494227770000000 ]    mass: 44.955912    reduced_to: 19  - symbol: Sc # 20    coordinates: [  0.333333330000000,  0.666666670000000,  0.839105570000000 ]    mass: 44.955912    reduced_to: 20  - symbol: Sc # 21    coordinates: [  0.333333330000000,  0.666666670000000,  0.339105570000000 ]    mass: 44.955912    reduced_to: 21  - symbol: Sc # 22    coordinates: [  0.333333330000000,  0.666666670000000,  0.994227770000000 ]    mass: 44.955912    reduced_to: 22  - symbol: Sc # 23    coordinates: [  0.000000000000000,  0.000000000000000,  0.827561100000000 ]    mass: 44.955912    reduced_to: 19  - 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symbol: B  # 32    coordinates: [  0.660127920000000,  0.660127920000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 32  - symbol: B  # 33    coordinates: [  0.326794580000000,  0.333333330000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 34    coordinates: [  0.666666670000000,  0.993461250000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 34  - symbol: B  # 35    coordinates: [  0.000000000000000,  0.339872080000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 35  - symbol: B  # 36    coordinates: [  0.006538750000000,  0.673205420000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 36  - symbol: B  # 37    coordinates: [  0.006538750000000,  0.333333330000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 38    coordinates: [  0.326794580000000,  0.993461250000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 32  - symbol: B  # 39    coordinates: [  0.993461250000000,  0.666666670000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 40    coordinates: [  0.333333330000000,  0.326794580000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 34  - symbol: B  # 41    coordinates: [  0.666666670000000,  0.673205420000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 35  - symbol: B  # 42    coordinates: [  0.673205420000000,  0.006538750000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 36  - symbol: B  # 43    coordinates: [  0.673205420000000,  0.666666670000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 44    coordinates: [  0.993461250000000,  0.326794580000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 32  - symbol: B  # 45    coordinates: [  0.660127920000000,  0.000000000000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 46    coordinates: [  0.000000000000000,  0.660127920000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 34  - symbol: B  # 47    coordinates: [  0.333333330000000,  0.006538750000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 35  - symbol: B  # 48    coordinates: [  0.339872080000000,  0.339872080000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 36  - symbol: O  # 49    coordinates: [  0.029362210000000,  0.810583010000000,  0.124811430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.522750320000000,  0.637304450000000,  0.291478100000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.637304450000000,  0.522750320000000,  0.208521900000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.781220800000000,  0.970637790000000,  0.124811430000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.362695550000000,  0.885445870000000,  0.291478100000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.333333330000000,  0.488038910000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.552112530000000,  0.856083650000000,  0.041855230000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.333333330000000,  0.845294430000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.303971120000000,  0.447887470000000,  0.041855230000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.189416990000000,  0.218779200000000,  0.124811430000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.143916350000000,  0.696028880000000,  0.041855230000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.477249680000000,  0.114554130000000,  0.208521900000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.154705570000000,  0.666666670000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.114554130000000,  0.477249680000000,  0.291478100000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.154705570000000,  0.488038910000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.511961090000000,  0.666666670000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.885445870000000,  0.362695550000000,  0.208521900000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.511961090000000,  0.845294430000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.696028880000000,  0.143916350000000,  0.458144770000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 68    coordinates: [  0.189416990000000,  0.970637790000000,  0.624811430000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 69    coordinates: [  0.303971120000000,  0.856083650000000,  0.541855230000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 70    coordinates: [  0.447887470000000,  0.303971120000000,  0.458144770000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 71    coordinates: [  0.029362210000000,  0.218779200000000,  0.624811430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 72    coordinates: [  0.000000000000000,  0.821372240000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 73    coordinates: [  0.218779200000000,  0.189416990000000,  0.375188570000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 74    coordinates: [  0.000000000000000,  0.178627760000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 75    coordinates: [  0.970637790000000,  0.781220800000000,  0.375188570000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 76    coordinates: [  0.856083650000000,  0.552112530000000,  0.458144770000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 77    coordinates: [  0.810583010000000,  0.029362210000000,  0.375188570000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 78    coordinates: [  0.143916350000000,  0.447887470000000,  0.541855230000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 79    coordinates: [  0.821372240000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 80    coordinates: [  0.781220800000000,  0.810583010000000,  0.624811430000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 81    coordinates: [  0.821372240000000,  0.821372240000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 82    coordinates: [  0.178627760000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 83    coordinates: [  0.552112530000000,  0.696028880000000,  0.541855230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 84    coordinates: [  0.178627760000000,  0.178627760000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 85    coordinates: [  0.362695550000000,  0.477249680000000,  0.791478100000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 86    coordinates: [  0.856083650000000,  0.303971120000000,  0.958144770000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 87    coordinates: [  0.970637790000000,  0.189416990000000,  0.875188570000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 88    coordinates: [  0.114554130000000,  0.637304450000000,  0.791478100000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 89    coordinates: [  0.696028880000000,  0.552112530000000,  0.958144770000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 90    coordinates: [  0.666666670000000,  0.154705570000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 91    coordinates: [  0.885445870000000,  0.522750320000000,  0.708521900000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 92    coordinates: [  0.666666670000000,  0.511961090000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 93    coordinates: [  0.637304450000000,  0.114554130000000,  0.708521900000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 94    coordinates: [  0.522750320000000,  0.885445870000000,  0.791478100000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 95    coordinates: [  0.477249680000000,  0.362695550000000,  0.708521900000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 96    coordinates: [  0.810583010000000,  0.781220800000000,  0.875188570000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 97    coordinates: [  0.488038910000000,  0.333333330000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 98    coordinates: [  0.447887470000000,  0.143916350000000,  0.958144770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 99    coordinates: [  0.488038910000000,  0.154705570000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 100    coordinates: [  0.845294430000000,  0.333333330000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 101    coordinates: [  0.218779200000000,  0.029362210000000,  0.875188570000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 102    coordinates: [  0.845294430000000,  0.511961090000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 66displacements:- atom:    1  displacement:    [  -0.0049999999928987,  0.0086602540419443,  0.0000000000000000 ]  forces:  - 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