# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3f63b885-44d4-435b-9f3b-8999152621c5/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 Lu2CCl2 / R-3m (166) / materials id 573376](https://mdr.nims.go.jp/datasets/dcd4fcab-4ffb-438a-867c-9d4d6e847d57)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3m"  number: 166  Hall_symbol: "-R 3 2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     1.780204313333335,     1.027801443333332,     9.456590613333322 ] # a  - [    -1.780204316666665,     1.027801443333332,     9.456590613333322 ] # b  - [     0.000000003333335,    -2.055602886666668,     9.456590613333322 ] # c  points:  - symbol: Lu # 1    coordinates: [  0.121468960000000,  0.121468970000002,  0.121468960000000 ]    mass: 174.966800  - symbol: Lu # 2    coordinates: [  0.878531040000000,  0.878531040000003,  0.878531040000000 ]    mass: 174.966800  - symbol: C  # 3    coordinates: [  0.500000000000000,  0.499999990000003,  0.500000000000000 ]    mass: 12.010700  - symbol: Cl # 4    coordinates: [  0.728006520000000,  0.728006520000002,  0.728006520000000 ]    mass: 35.453000  - symbol: Cl # 5    coordinates: [  0.271993480000000,  0.271993490000003,  0.271993480000000 ]    mass: 35.453000  reciprocal_lattice: # without 2pi  - [     0.280866637490428,     0.162158428766406,     0.035248785419911 ] # a*  - [    -0.280866637490428,     0.162158427855508,     0.035248785419911 ] # b*  - [    -0.000000000000000,    -0.324316856621914,     0.035248785419911 ] # c*unit_cell:  lattice:  - [     3.560408630000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.780204320000000,     3.083404330000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    28.369771839999999 ] # c  points:  - symbol: Lu # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.878531040000000 ]    mass: 174.966800    reduced_to: 2  - symbol: Lu # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.211864370000000 ]    mass: 174.966800    reduced_to: 2  - symbol: Lu # 5    coordinates: [  0.666666670000000,  0.333333330000000,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.545197710000000 ]    mass: 174.966800    reduced_to: 2  - symbol: C  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 12.010700    reduced_to: 7  - symbol: C  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 12.010700    reduced_to: 7  - symbol: C  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 7  - symbol: Cl # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.728006520000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 11    coordinates: [  0.333333330000000,  0.666666670000000,  0.938660150000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 12    coordinates: [  0.666666670000000,  0.333333330000000,  0.061339850000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.271993480000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.394673190000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 15    coordinates: [  0.666666670000000,  0.333333330000000,  0.605326810000000 ]    mass: 35.453000    reduced_to: 11supercell:  lattice:  - [    10.681225890000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.340612960000000,     9.250212990000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    28.369771839999999 ] # c  points:  - symbol: Lu # 1    coordinates: [  0.111111110000000,  0.222222223333333,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 2    coordinates: [  0.444444443333333,  0.222222223333333,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 3    coordinates: [  0.777777776666667,  0.222222223333333,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 4    coordinates: [  0.111111110000000,  0.555555556666667,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 5    coordinates: [  0.444444443333333,  0.555555556666667,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 6    coordinates: [  0.777777776666667,  0.555555556666667,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 7    coordinates: [  0.111111110000000,  0.888888890000000,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 8    coordinates: [  0.444444443333333,  0.888888890000000,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 9    coordinates: [  0.777777776666667,  0.888888890000000,  0.788135630000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.878531040000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 11    coordinates: [  0.333333333333333,  0.000000000000000,  0.878531040000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 12    coordinates: [  0.666666666666667,  0.000000000000000,  0.878531040000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 13    coordinates: [  0.000000000000000,  0.333333333333333,  0.878531040000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 14    coordinates: [  0.333333333333333,  0.333333333333333,  0.878531040000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 15    coordinates: [  0.666666666666667,  0.333333333333333,  0.878531040000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 16    coordinates: [  0.000000000000000,  0.666666666666667,  0.878531040000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 17    coordinates: [  0.333333333333333,  0.666666666666667,  0.878531040000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 18    coordinates: [  0.666666666666667,  0.666666666666667,  0.878531040000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 20    coordinates: [  0.333333333333333,  0.000000000000000,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 21    coordinates: [  0.666666666666667,  0.000000000000000,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 22    coordinates: [  0.000000000000000,  0.333333333333333,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 23    coordinates: [  0.333333333333333,  0.333333333333333,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 24    coordinates: [  0.666666666666667,  0.333333333333333,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 25    coordinates: [  0.000000000000000,  0.666666666666667,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 26    coordinates: [  0.333333333333333,  0.666666666666667,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 27    coordinates: [  0.666666666666667,  0.666666666666667,  0.121468960000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 28    coordinates: [  0.222222223333333,  0.111111110000000,  0.211864370000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 29    coordinates: [  0.555555556666667,  0.111111110000000,  0.211864370000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 30    coordinates: [  0.888888890000000,  0.111111110000000,  0.211864370000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 31    coordinates: [  0.222222223333333,  0.444444443333333,  0.211864370000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 32    coordinates: [  0.555555556666667,  0.444444443333333,  0.211864370000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 33    coordinates: [  0.888888890000000,  0.444444443333333,  0.211864370000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 34    coordinates: [  0.222222223333333,  0.777777776666667,  0.211864370000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 35    coordinates: [  0.555555556666667,  0.777777776666667,  0.211864370000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 36    coordinates: [  0.888888890000000,  0.777777776666667,  0.211864370000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 37    coordinates: [  0.222222223333333,  0.111111110000000,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 38    coordinates: [  0.555555556666667,  0.111111110000000,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 39    coordinates: [  0.888888890000000,  0.111111110000000,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 40    coordinates: [  0.222222223333333,  0.444444443333333,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 41    coordinates: [  0.555555556666667,  0.444444443333333,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 42    coordinates: [  0.888888890000000,  0.444444443333333,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 43    coordinates: [  0.222222223333333,  0.777777776666667,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 44    coordinates: [  0.555555556666667,  0.777777776666667,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 45    coordinates: [  0.888888890000000,  0.777777776666667,  0.454802290000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 46    coordinates: [  0.111111110000000,  0.222222223333333,  0.545197710000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 47    coordinates: [  0.444444443333333,  0.222222223333333,  0.545197710000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 48    coordinates: [  0.777777776666667,  0.222222223333333,  0.545197710000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 49    coordinates: [  0.111111110000000,  0.555555556666667,  0.545197710000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 50    coordinates: [  0.444444443333333,  0.555555556666667,  0.545197710000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 51    coordinates: [  0.777777776666667,  0.555555556666667,  0.545197710000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 52    coordinates: [  0.111111110000000,  0.888888890000000,  0.545197710000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 53    coordinates: [  0.444444443333333,  0.888888890000000,  0.545197710000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 54    coordinates: [  0.777777776666667,  0.888888890000000,  0.545197710000000 ]    mass: 174.966800    reduced_to: 10  - symbol: C  # 55    coordinates: [  0.222222223333333,  0.111111110000000,  0.833333330000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 56    coordinates: [  0.555555556666667,  0.111111110000000,  0.833333330000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 57    coordinates: [  0.888888890000000,  0.111111110000000,  0.833333330000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 58    coordinates: [  0.222222223333333,  0.444444443333333,  0.833333330000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 59    coordinates: [  0.555555556666667,  0.444444443333333,  0.833333330000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 60    coordinates: [  0.888888890000000,  0.444444443333333,  0.833333330000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 61    coordinates: [  0.222222223333333,  0.777777776666667,  0.833333330000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 62    coordinates: [  0.555555556666667,  0.777777776666667,  0.833333330000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 63    coordinates: [  0.888888890000000,  0.777777776666667,  0.833333330000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 64    coordinates: [  0.111111110000000,  0.222222223333333,  0.166666670000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 65    coordinates: [  0.444444443333333,  0.222222223333333,  0.166666670000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 66    coordinates: [  0.777777776666667,  0.222222223333333,  0.166666670000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 67    coordinates: [  0.111111110000000,  0.555555556666667,  0.166666670000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 68    coordinates: [  0.444444443333333,  0.555555556666667,  0.166666670000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 69    coordinates: [  0.777777776666667,  0.555555556666667,  0.166666670000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 70    coordinates: [  0.111111110000000,  0.888888890000000,  0.166666670000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 71    coordinates: [  0.444444443333333,  0.888888890000000,  0.166666670000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 72    coordinates: [  0.777777776666667,  0.888888890000000,  0.166666670000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 74    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 75    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 76    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 77    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 78    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 79    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 80    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 12.010700    reduced_to: 55  - symbol: C  # 81    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 12.010700    reduced_to: 55  - symbol: Cl # 82    coordinates: [  0.000000000000000,  0.000000000000000,  0.728006520000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 83    coordinates: [  0.333333333333333,  0.000000000000000,  0.728006520000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 84    coordinates: [  0.666666666666667,  0.000000000000000,  0.728006520000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 85    coordinates: [  0.000000000000000,  0.333333333333333,  0.728006520000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 86    coordinates: [  0.333333333333333,  0.333333333333333,  0.728006520000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 87    coordinates: [  0.666666666666667,  0.333333333333333,  0.728006520000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 88    coordinates: [  0.000000000000000,  0.666666666666667,  0.728006520000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 89    coordinates: [  0.333333333333333,  0.666666666666667,  0.728006520000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 90    coordinates: [  0.666666666666667,  0.666666666666667,  0.728006520000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 91    coordinates: [  0.111111110000000,  0.222222223333333,  0.938660150000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 92    coordinates: [  0.444444443333333,  0.222222223333333,  0.938660150000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 93    coordinates: [  0.777777776666667,  0.222222223333333,  0.938660150000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 94    coordinates: [  0.111111110000000,  0.555555556666667,  0.938660150000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 95    coordinates: [  0.444444443333333,  0.555555556666667,  0.938660150000000 ]    mass: 35.453000    reduced_to: 91  - 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symbol: Cl # 104    coordinates: [  0.555555556666667,  0.444444443333333,  0.061339850000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 105    coordinates: [  0.888888890000000,  0.444444443333333,  0.061339850000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 106    coordinates: [  0.222222223333333,  0.777777776666667,  0.061339850000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 107    coordinates: [  0.555555556666667,  0.777777776666667,  0.061339850000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 108    coordinates: [  0.888888890000000,  0.777777776666667,  0.061339850000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.271993480000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 110    coordinates: [  0.333333333333333,  0.000000000000000,  0.271993480000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 111    coordinates: [  0.666666666666667,  0.000000000000000,  0.271993480000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 112    coordinates: [  0.000000000000000,  0.333333333333333,  0.271993480000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 113    coordinates: [  0.333333333333333,  0.333333333333333,  0.271993480000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 114    coordinates: [  0.666666666666667,  0.333333333333333,  0.271993480000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 115    coordinates: [  0.000000000000000,  0.666666666666667,  0.271993480000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 116    coordinates: [  0.333333333333333,  0.666666666666667,  0.271993480000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 117    coordinates: [  0.666666666666667,  0.666666666666667,  0.271993480000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 118    coordinates: [  0.111111110000000,  0.222222223333333,  0.394673190000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 119    coordinates: [  0.444444443333333,  0.222222223333333,  0.394673190000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 120    coordinates: [  0.777777776666667,  0.222222223333333,  0.394673190000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 121    coordinates: [  0.111111110000000,  0.555555556666667,  0.394673190000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 122    coordinates: [  0.444444443333333,  0.555555556666667,  0.394673190000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 123    coordinates: [  0.777777776666667,  0.555555556666667,  0.394673190000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 124    coordinates: [  0.111111110000000,  0.888888890000000,  0.394673190000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 125    coordinates: [  0.444444443333333,  0.888888890000000,  0.394673190000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 126    coordinates: [  0.777777776666667,  0.888888890000000,  0.394673190000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 127    coordinates: [  0.222222223333333,  0.111111110000000,  0.605326810000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 128    coordinates: [  0.555555556666667,  0.111111110000000,  0.605326810000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 129    coordinates: [  0.888888890000000,  0.111111110000000,  0.605326810000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 130    coordinates: [  0.222222223333333,  0.444444443333333,  0.605326810000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 131    coordinates: [  0.555555556666667,  0.444444443333333,  0.605326810000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 132    coordinates: [  0.888888890000000,  0.444444443333333,  0.605326810000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 133    coordinates: [  0.222222223333333,  0.777777776666667,  0.605326810000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 134    coordinates: [  0.555555556666667,  0.777777776666667,  0.605326810000000 ]    mass: 35.453000    reduced_to: 91  - symbol: Cl # 135    coordinates: [  0.888888890000000,  0.777777776666667,  0.605326810000000 ]    mass: 35.453000    reduced_to: 91born_effective_charge:- # 1 (Lu)  - [  5.285816210000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  5.285816210000000,  0.000000000000001 ]  - [ -0.000000000000000,  0.000000000000000,  1.695588210000000 ]- # 2 (Lu)  - [  5.285816210000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  5.285816210000000,  0.000000000000001 ]  - [ -0.000000000000000,  0.000000000000000,  1.695588210000000 ]- # 3 (C)  - [ -7.091601710000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -7.091601710000000, -0.000000000000001 ]  - [  0.000000000000000, -0.000000000000000, -1.574149330000000 ]- # 4 (Cl)  - [ -1.740015360000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.740015360000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -0.908513550000000 ]- # 5 (Cl)  - [ -1.740015360000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.740015360000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -0.908513550000000 ]dielectric_constant:  - [ 12.386771749999999, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 12.386771749999999,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.676895590000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1086054800000000,  0.0000076100000000,  0.0001264500000000 ]  - [   0.0243840200000000, -0.0003587400000000,  0.0038315200000000 ]  - [   0.0239808600000000,  0.0003682900000000, -0.0031740100000000 ]  - [   0.0017647500000000, -0.0132737200000000, -0.0051015300000000 ]  - [   0.0017416500000000,  0.0133540900000000,  0.0057572200000000 ]  - [   0.0024281200000000,  0.0000016100000000,  0.0003143100000000 ]  - [   0.0017359300000000, -0.0125994400000000, -0.0015999800000000 ]  - [   0.0024315800000000, -0.0000109400000000,  0.0003329100000000 ]  - [   0.0017669000000000,  0.0125675500000000,  0.0022517900000000 ]  - [  -0.0117998900000000,  0.0000625500000000, -0.0004096800000000 ]  - 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