# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/54f54e2b-8423-4af8-9997-feebb93085d4/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 Cs(BBr)6 / R-3 (148) / materials id 569897](https://mdr.nims.go.jp/datasets/55258765-7371-4a20-a051-d04b65a989ae)

## 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-3"  number: 148  Hall_symbol: "-R 3"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:  - [     4.928629723333338,     2.845545773333330,    15.978512349999983 ] # a  - [    -4.928629776666662,     2.845545663333330,    15.978512349999983 ] # b  - [     0.000000053333338,    -5.691091436666669,    15.978512349999983 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.373786880000000,  0.373786880000001,  0.373786880000000 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.791029850000000,  0.791029860000001,  0.791029850000000 ]    mass: 132.905452  - symbol: Cs # 3    coordinates: [  0.208970150000000,  0.208970140000001,  0.208970150000000 ]    mass: 132.905452  - symbol: Cs # 4    coordinates: [  0.626213120000000,  0.626213120000002,  0.626213120000000 ]    mass: 132.905452  - symbol: B  # 5    coordinates: [  0.118597450000000,  0.913582190000001,  0.052290840000000 ]    mass: 10.811000  - symbol: B  # 6    coordinates: [  0.138576810000000,  0.808730840000002,  0.032555190000000 ]    mass: 10.811000  - symbol: B  # 7    coordinates: [  0.442345370000000,  0.682133510000001,  0.355519730000000 ]    mass: 10.811000  - symbol: B  # 8    coordinates: [  0.032555190000000,  0.138576820000002,  0.808730830000000 ]    mass: 10.811000  - symbol: B  # 9    coordinates: [  0.317866490000000,  0.644480270000001,  0.557654630000000 ]    mass: 10.811000  - symbol: B  # 10    coordinates: [  0.881402550000000,  0.086417810000002,  0.947709160000000 ]    mass: 10.811000  - symbol: B  # 11    coordinates: [  0.557654630000000,  0.317866490000002,  0.644480270000000 ]    mass: 10.811000  - symbol: B  # 12    coordinates: [  0.556958450000000,  0.503631910000001,  0.355309560000000 ]    mass: 10.811000  - symbol: B  # 13    coordinates: [  0.808730830000000,  0.032555200000002,  0.138576810000000 ]    mass: 10.811000  - symbol: B  # 14    coordinates: [  0.682133510000000,  0.355519730000001,  0.442345370000000 ]    mass: 10.811000  - symbol: B  # 15    coordinates: [  0.644480270000000,  0.557654630000001,  0.317866490000000 ]    mass: 10.811000  - symbol: B  # 16    coordinates: [  0.191269170000000,  0.967444800000001,  0.861423190000000 ]    mass: 10.811000  - symbol: B  # 17    coordinates: [  0.861423190000000,  0.191269160000001,  0.967444810000000 ]    mass: 10.811000  - symbol: B  # 18    coordinates: [  0.086417800000000,  0.947709170000002,  0.881402550000000 ]    mass: 10.811000  - symbol: B  # 19    coordinates: [  0.913582200000000,  0.052290830000001,  0.118597450000000 ]    mass: 10.811000  - symbol: B  # 20    coordinates: [  0.967444810000000,  0.861423180000001,  0.191269170000000 ]    mass: 10.811000  - symbol: B  # 21    coordinates: [  0.947709160000000,  0.881402560000002,  0.086417800000000 ]    mass: 10.811000  - symbol: B  # 22    coordinates: [  0.644690440000000,  0.443041560000002,  0.496368080000000 ]    mass: 10.811000  - symbol: B  # 23    coordinates: [  0.355309560000000,  0.556958440000001,  0.503631920000000 ]    mass: 10.811000  - symbol: B  # 24    coordinates: [  0.355519730000000,  0.442345370000001,  0.682133510000000 ]    mass: 10.811000  - symbol: B  # 25    coordinates: [  0.443041550000000,  0.496368090000001,  0.644690440000000 ]    mass: 10.811000  - symbol: B  # 26    coordinates: [  0.503631920000000,  0.355309550000001,  0.556958450000000 ]    mass: 10.811000  - symbol: B  # 27    coordinates: [  0.052290840000000,  0.118597440000001,  0.913582200000000 ]    mass: 10.811000  - symbol: B  # 28    coordinates: [  0.496368080000000,  0.644690450000001,  0.443041550000000 ]    mass: 10.811000  - symbol: Br # 29    coordinates: [  0.494141610000000,  0.809628640000002,  0.377876330000000 ]    mass: 79.904000  - symbol: Br # 30    coordinates: [  0.809628630000000,  0.377876340000002,  0.494141610000000 ]    mass: 79.904000  - symbol: Br # 31    coordinates: [  0.588470990000000,  0.068159670000002,  0.297339390000000 ]    mass: 79.904000  - symbol: Br # 32    coordinates: [  0.744724110000000,  0.185464420000002,  0.888596510000000 ]    mass: 79.904000  - symbol: Br # 33    coordinates: [  0.111474440000000,  0.812099600000001,  0.622311290000000 ]    mass: 79.904000  - symbol: Br # 34    coordinates: [  0.888596510000000,  0.744724110000002,  0.185464420000000 ]    mass: 79.904000  - symbol: Br # 35    coordinates: [  0.377876330000000,  0.494141620000002,  0.809628630000000 ]    mass: 79.904000  - symbol: Br # 36    coordinates: [  0.377688710000000,  0.888525550000001,  0.187900410000000 ]    mass: 79.904000  - symbol: Br # 37    coordinates: [  0.931840300000000,  0.702660640000001,  0.411529010000000 ]    mass: 79.904000  - symbol: Br # 38    coordinates: [  0.111403490000000,  0.255275890000001,  0.814535580000000 ]    mass: 79.904000  - symbol: Br # 39    coordinates: [  0.702660610000000,  0.411529040000001,  0.931840300000000 ]    mass: 79.904000  - symbol: Br # 40    coordinates: [  0.622123670000000,  0.505858380000001,  0.190371370000000 ]    mass: 79.904000  - symbol: Br # 41    coordinates: [  0.888525560000000,  0.187900400000001,  0.377688710000000 ]    mass: 79.904000  - symbol: Br # 42    coordinates: [  0.814535580000000,  0.111403490000001,  0.255275890000000 ]    mass: 79.904000  - symbol: Br # 43    coordinates: [  0.622311290000000,  0.111474450000002,  0.812099590000000 ]    mass: 79.904000  - symbol: Br # 44    coordinates: [  0.812099590000000,  0.622311300000001,  0.111474440000000 ]    mass: 79.904000  - symbol: Br # 45    coordinates: [  0.185464420000000,  0.888596510000002,  0.744724110000000 ]    mass: 79.904000  - symbol: Br # 46    coordinates: [  0.255275890000000,  0.814535580000001,  0.111403490000000 ]    mass: 79.904000  - symbol: Br # 47    coordinates: [  0.505858390000000,  0.190371360000001,  0.622123670000000 ]    mass: 79.904000  - symbol: Br # 48    coordinates: [  0.068159700000000,  0.297339360000002,  0.588470990000000 ]    mass: 79.904000  - symbol: Br # 49    coordinates: [  0.190371370000000,  0.622123660000001,  0.505858390000000 ]    mass: 79.904000  - symbol: Br # 50    coordinates: [  0.411529010000000,  0.931840330000001,  0.702660610000000 ]    mass: 79.904000  - symbol: Br # 51    coordinates: [  0.187900410000000,  0.377688700000001,  0.888525560000000 ]    mass: 79.904000  - symbol: Br # 52    coordinates: [  0.297339390000000,  0.588470960000002,  0.068159700000000 ]    mass: 79.904000  reciprocal_lattice: # without 2pi  - [     0.101448074239821,     0.058571074187333,     0.020861349669598 ] # a*  - [    -0.101448075547044,     0.058571072285917,     0.020861349669598 ] # b*  - [     0.000000001307223,    -0.117142146473250,     0.020861349669598 ] # c*unit_cell:  lattice:  - [     9.857259500000000,     0.000000110000000,     0.000000000000000 ] # a  - [    -4.928629830000000,     8.536637100000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    47.935537050000001 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.373786880000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.457696520000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.542303480000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.626213120000000 ]    mass: 132.905452    reduced_to: 4  - symbol: Cs # 5    coordinates: [  0.666666670000000,  0.333333330000000,  0.707120210000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.791029850000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.875636820000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.959546450000000 ]    mass: 132.905452    reduced_to: 4  - symbol: Cs # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.040453550000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.124363180000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.208970150000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 12    coordinates: [  0.333333330000000,  0.666666670000000,  0.292879790000000 ]    mass: 132.905452    reduced_to: 4  - symbol: B  # 13    coordinates: [  0.757107290000000,  0.309199320000000,  0.361490160000000 ]    mass: 10.811000    reduced_to: 13  - symbol: B  # 14    coordinates: [  0.478622530000000,  0.627399090000000,  0.659954280000000 ]    mass: 10.811000    reduced_to: 14  - symbol: B  # 15    coordinates: [  0.949012500000000,  0.137813140000000,  0.493332870000000 ]    mass: 10.811000    reduced_to: 15  - symbol: B  # 16    coordinates: [  0.372600910000000,  0.851223450000000,  0.659954280000000 ]    mass: 10.811000    reduced_to: 16  - symbol: B  # 17    coordinates: [  0.811199360000000,  0.949012500000000,  0.506667130000000 ]    mass: 10.811000    reduced_to: 17  - symbol: B  # 18    coordinates: [  0.242892710000000,  0.690800680000000,  0.638509840000000 ]    mass: 10.811000    reduced_to: 18  - symbol: B  # 19    coordinates: [  0.050987500000000,  0.862186860000000,  0.506667130000000 ]    mass: 10.811000    reduced_to: 19  - symbol: B  # 20    coordinates: [  0.084991810000000,  0.116657080000000,  0.471966640000000 ]    mass: 10.811000    reduced_to: 20  - symbol: B  # 21    coordinates: [  0.148776550000000,  0.521377470000000,  0.659954280000000 ]    mass: 10.811000    reduced_to: 21  - symbol: B  # 22    coordinates: [  0.188800640000000,  0.050987500000000,  0.493332870000000 ]    mass: 10.811000    reduced_to: 22  - symbol: B  # 23    coordinates: [  0.137813140000000,  0.188800640000000,  0.506667130000000 ]    mass: 10.811000    reduced_to: 23  - symbol: B  # 24    coordinates: [  0.851223450000000,  0.478622530000000,  0.340045720000000 ]    mass: 10.811000    reduced_to: 24  - symbol: B  # 25    coordinates: [  0.521377470000000,  0.372600910000000,  0.340045720000000 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 26    coordinates: [  0.447907960000000,  0.757107290000000,  0.638509840000000 ]    mass: 10.811000    reduced_to: 26  - symbol: B  # 27    coordinates: [  0.552092040000000,  0.242892710000000,  0.361490160000000 ]    mass: 10.811000    reduced_to: 27  - symbol: B  # 28    coordinates: [  0.627399090000000,  0.148776550000000,  0.340045720000000 ]    mass: 10.811000    reduced_to: 28  - symbol: B  # 29    coordinates: [  0.309199320000000,  0.552092040000000,  0.638509840000000 ]    mass: 10.811000    reduced_to: 29  - symbol: B  # 30    coordinates: [  0.116657080000000,  0.031665280000000,  0.528033360000000 ]    mass: 10.811000    reduced_to: 30  - symbol: B  # 31    coordinates: [  0.883342920000000,  0.968334720000000,  0.471966640000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 32    coordinates: [  0.862186860000000,  0.811199360000000,  0.493332870000000 ]    mass: 10.811000    reduced_to: 32  - symbol: B  # 33    coordinates: [  0.915008190000000,  0.883342920000000,  0.528033360000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 34    coordinates: [  0.031665280000000,  0.915008190000000,  0.471966640000000 ]    mass: 10.811000    reduced_to: 34  - symbol: B  # 35    coordinates: [  0.690800680000000,  0.447907960000000,  0.361490160000000 ]    mass: 10.811000    reduced_to: 35  - symbol: B  # 36    coordinates: [  0.968334720000000,  0.084991810000000,  0.528033360000000 ]    mass: 10.811000    reduced_to: 36  - symbol: B  # 37    coordinates: [  0.423773960000000,  0.642532660000000,  0.694823490000000 ]    mass: 10.811000    reduced_to: 13  - symbol: B  # 38    coordinates: [  0.145289200000000,  0.960732420000000,  0.993287610000000 ]    mass: 10.811000    reduced_to: 14  - symbol: B  # 39    coordinates: [  0.615679170000000,  0.471146470000000,  0.826666200000000 ]    mass: 10.811000    reduced_to: 15  - symbol: B  # 40    coordinates: [  0.039267580000000,  0.184556790000000,  0.993287610000000 ]    mass: 10.811000    reduced_to: 16  - symbol: B  # 41    coordinates: [  0.477866030000000,  0.282345830000000,  0.840000460000000 ]    mass: 10.811000    reduced_to: 17  - symbol: B  # 42    coordinates: [  0.909559370000000,  0.024134010000000,  0.971843170000000 ]    mass: 10.811000    reduced_to: 18  - symbol: B  # 43    coordinates: [  0.717654170000000,  0.195520190000000,  0.840000460000000 ]    mass: 10.811000    reduced_to: 19  - symbol: B  # 44    coordinates: [  0.751658480000000,  0.449990420000000,  0.805299970000000 ]    mass: 10.811000    reduced_to: 20  - symbol: B  # 45    coordinates: [  0.815443210000000,  0.854710800000000,  0.993287610000000 ]    mass: 10.811000    reduced_to: 21  - symbol: B  # 46    coordinates: [  0.855467310000000,  0.384320830000000,  0.826666200000000 ]    mass: 10.811000    reduced_to: 22  - symbol: B  # 47    coordinates: [  0.804479810000000,  0.522133970000000,  0.840000460000000 ]    mass: 10.811000    reduced_to: 23  - symbol: B  # 48    coordinates: [  0.517890120000000,  0.811955860000000,  0.673379050000000 ]    mass: 10.811000    reduced_to: 24  - symbol: B  # 49    coordinates: [  0.188044140000000,  0.705934250000000,  0.673379050000000 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 50    coordinates: [  0.114574630000000,  0.090440630000000,  0.971843170000000 ]    mass: 10.811000    reduced_to: 26  - symbol: B  # 51    coordinates: [  0.218758710000000,  0.576226040000000,  0.694823490000000 ]    mass: 10.811000    reduced_to: 27  - symbol: B  # 52    coordinates: [  0.294065750000000,  0.482109880000000,  0.673379050000000 ]    mass: 10.811000    reduced_to: 28  - symbol: B  # 53    coordinates: [  0.975865990000000,  0.885425370000000,  0.971843170000000 ]    mass: 10.811000    reduced_to: 29  - symbol: B  # 54    coordinates: [  0.783323750000000,  0.364998610000000,  0.861366700000000 ]    mass: 10.811000    reduced_to: 30  - symbol: B  # 55    coordinates: [  0.550009580000000,  0.301668060000000,  0.805299970000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 56    coordinates: [  0.528853530000000,  0.144532690000000,  0.826666200000000 ]    mass: 10.811000    reduced_to: 32  - symbol: B  # 57    coordinates: [  0.581674850000000,  0.216676250000000,  0.861366700000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 58    coordinates: [  0.698331940000000,  0.248341520000000,  0.805299970000000 ]    mass: 10.811000    reduced_to: 34  - symbol: B  # 59    coordinates: [  0.357467340000000,  0.781241290000000,  0.694823490000000 ]    mass: 10.811000    reduced_to: 35  - symbol: B  # 60    coordinates: [  0.635001390000000,  0.418325150000000,  0.861366700000000 ]    mass: 10.811000    reduced_to: 36  - symbol: B  # 61    coordinates: [  0.090440630000000,  0.975865990000000,  0.028156830000000 ]    mass: 10.811000    reduced_to: 13  - symbol: B  # 62    coordinates: [  0.811955860000000,  0.294065750000000,  0.326620950000000 ]    mass: 10.811000    reduced_to: 14  - symbol: B  # 63    coordinates: [  0.282345830000000,  0.804479810000000,  0.159999540000000 ]    mass: 10.811000    reduced_to: 15  - symbol: B  # 64    coordinates: [  0.705934250000000,  0.517890120000000,  0.326620950000000 ]    mass: 10.811000    reduced_to: 16  - symbol: B  # 65    coordinates: [  0.144532690000000,  0.615679170000000,  0.173333800000000 ]    mass: 10.811000    reduced_to: 17  - symbol: B  # 66    coordinates: [  0.576226040000000,  0.357467340000000,  0.305176510000000 ]    mass: 10.811000    reduced_to: 18  - symbol: B  # 67    coordinates: [  0.384320830000000,  0.528853530000000,  0.173333800000000 ]    mass: 10.811000    reduced_to: 19  - symbol: B  # 68    coordinates: [  0.418325150000000,  0.783323750000000,  0.138633300000000 ]    mass: 10.811000    reduced_to: 20  - symbol: B  # 69    coordinates: [  0.482109880000000,  0.188044140000000,  0.326620950000000 ]    mass: 10.811000    reduced_to: 21  - symbol: B  # 70    coordinates: [  0.522133970000000,  0.717654170000000,  0.159999540000000 ]    mass: 10.811000    reduced_to: 22  - symbol: B  # 71    coordinates: [  0.471146470000000,  0.855467310000000,  0.173333800000000 ]    mass: 10.811000    reduced_to: 23  - symbol: B  # 72    coordinates: [  0.184556790000000,  0.145289200000000,  0.006712390000000 ]    mass: 10.811000    reduced_to: 24  - symbol: B  # 73    coordinates: [  0.854710800000000,  0.039267580000000,  0.006712390000000 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 74    coordinates: [  0.781241290000000,  0.423773960000000,  0.305176510000000 ]    mass: 10.811000    reduced_to: 26  - symbol: B  # 75    coordinates: [  0.885425370000000,  0.909559370000000,  0.028156830000000 ]    mass: 10.811000    reduced_to: 27  - symbol: B  # 76    coordinates: [  0.960732420000000,  0.815443210000000,  0.006712390000000 ]    mass: 10.811000    reduced_to: 28  - symbol: B  # 77    coordinates: [  0.642532660000000,  0.218758710000000,  0.305176510000000 ]    mass: 10.811000    reduced_to: 29  - symbol: B  # 78    coordinates: [  0.449990420000000,  0.698331940000000,  0.194700030000000 ]    mass: 10.811000    reduced_to: 30  - symbol: B  # 79    coordinates: [  0.216676250000000,  0.635001390000000,  0.138633300000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 80    coordinates: [  0.195520190000000,  0.477866030000000,  0.159999540000000 ]    mass: 10.811000    reduced_to: 32  - symbol: B  # 81    coordinates: [  0.248341520000000,  0.550009580000000,  0.194700030000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 82    coordinates: [  0.364998610000000,  0.581674850000000,  0.138633300000000 ]    mass: 10.811000    reduced_to: 34  - symbol: B  # 83    coordinates: [  0.024134010000000,  0.114574630000000,  0.028156830000000 ]    mass: 10.811000    reduced_to: 35  - symbol: B  # 84    coordinates: [  0.301668060000000,  0.751658480000000,  0.194700030000000 ]    mass: 10.811000    reduced_to: 36  - symbol: Br # 85    coordinates: [  0.933592750000000,  0.182672530000000,  0.560548860000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 86    coordinates: [  0.249079770000000,  0.066407250000000,  0.560548860000000 ]    mass: 79.904000    reduced_to: 86  - symbol: Br # 87    coordinates: [  0.937147640000000,  0.353983960000000,  0.651323350000000 ]    mass: 79.904000    reduced_to: 87  - symbol: Br # 88    coordinates: [  0.138462430000000,  0.717665170000000,  0.606261680000000 ]    mass: 79.904000    reduced_to: 88  - symbol: Br # 89    coordinates: [  0.596179330000000,  0.892983820000000,  0.515295110000000 ]    mass: 79.904000    reduced_to: 89  - symbol: Br # 90    coordinates: [  0.282334830000000,  0.420797260000000,  0.606261680000000 ]    mass: 79.904000    reduced_to: 90  - symbol: Br # 91    coordinates: [  0.817327470000000,  0.750920230000000,  0.560548860000000 ]    mass: 79.904000    reduced_to: 91  - symbol: Br # 92    coordinates: [  0.892983820000000,  0.296804480000000,  0.484704890000000 ]    mass: 79.904000    reduced_to: 92  - symbol: Br # 93    coordinates: [  0.583163650000000,  0.937147640000000,  0.348676650000000 ]    mass: 79.904000    reduced_to: 93  - symbol: Br # 94    coordinates: [  0.717665170000000,  0.579202740000000,  0.393738320000000 ]    mass: 79.904000    reduced_to: 94  - symbol: Br # 95    coordinates: [  0.353983960000000,  0.416836350000000,  0.348676650000000 ]    mass: 79.904000    reduced_to: 95  - 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symbol: Cs # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.457696520000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.542303480000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.626213120000000 ]    mass: 132.905452    reduced_to: 4  - symbol: Cs # 5    coordinates: [  0.666666670000000,  0.333333330000000,  0.707120210000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.791029850000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.875636820000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.959546450000000 ]    mass: 132.905452    reduced_to: 4  - symbol: Cs # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.040453550000000 ]    mass: 132.905452    reduced_to: 1  - 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