# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1073558d-19a9-47fd-ab76-7305c726c46a/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 Cs3P6N11 / P4_132 (213) / materials id 16108](https://mdr.nims.go.jp/datasets/56920894-3b84-442b-8fe3-4f88cbab9f76)

## 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: "P4_132"  number: 213  Hall_symbol: "P 4bd 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    10.656855000000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.656855000000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.656855000000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.555017860000000,  0.555017860000000,  0.555017860000000 ]    mass: 14.006700  - symbol: N  # 2    coordinates: [  0.805017860000000,  0.694982140000000,  0.305017860000000 ]    mass: 14.006700  - symbol: N  # 3    coordinates: [  0.694982140000000,  0.305017860000000,  0.805017860000000 ]    mass: 14.006700  - symbol: N  # 4    coordinates: [  0.305017860000000,  0.805017860000000,  0.694982140000000 ]    mass: 14.006700  - symbol: N  # 5    coordinates: [  0.055017860000000,  0.944982140000000,  0.444982140000000 ]    mass: 14.006700  - symbol: N  # 6    coordinates: [  0.944982140000000,  0.444982140000000,  0.055017860000000 ]    mass: 14.006700  - symbol: N  # 7    coordinates: [  0.444982140000000,  0.055017860000000,  0.944982140000000 ]    mass: 14.006700  - symbol: N  # 8    coordinates: [  0.194982140000000,  0.194982140000000,  0.194982140000000 ]    mass: 14.006700  - symbol: N  # 9    coordinates: [  0.625000000000000,  0.314427200000000,  0.564427200000000 ]    mass: 14.006700  - symbol: N  # 10    coordinates: [  0.685572800000000,  0.064427200000000,  0.875000000000000 ]    mass: 14.006700  - symbol: N  # 11    coordinates: [  0.564427200000000,  0.625000000000000,  0.314427200000000 ]    mass: 14.006700  - symbol: N  # 12    coordinates: [  0.935572800000000,  0.375000000000000,  0.814427200000000 ]    mass: 14.006700  - symbol: N  # 13    coordinates: [  0.314427200000000,  0.564427200000000,  0.625000000000000 ]    mass: 14.006700  - symbol: N  # 14    coordinates: [  0.435572800000000,  0.125000000000000,  0.185572800000000 ]    mass: 14.006700  - symbol: N  # 15    coordinates: [  0.064427200000000,  0.875000000000000,  0.685572800000000 ]    mass: 14.006700  - symbol: N  # 16    coordinates: [  0.814427200000000,  0.935572800000000,  0.375000000000000 ]    mass: 14.006700  - symbol: N  # 17    coordinates: [  0.185572800000000,  0.435572800000000,  0.125000000000000 ]    mass: 14.006700  - symbol: N  # 18    coordinates: [  0.875000000000000,  0.685572800000000,  0.064427200000000 ]    mass: 14.006700  - symbol: N  # 19    coordinates: [  0.375000000000000,  0.814427200000000,  0.935572800000000 ]    mass: 14.006700  - symbol: N  # 20    coordinates: [  0.274953140000000,  0.008153830000000,  0.338182050000000 ]    mass: 14.006700  - symbol: N  # 21    coordinates: [  0.125000000000000,  0.185572800000000,  0.435572800000000 ]    mass: 14.006700  - symbol: N  # 22    coordinates: [  0.241846170000000,  0.024953140000000,  0.588182050000000 ]    mass: 14.006700  - symbol: N  # 23    coordinates: [  0.475046860000000,  0.411817950000000,  0.741846170000000 ]    mass: 14.006700  - symbol: N  # 24    coordinates: [  0.524953140000000,  0.911817950000000,  0.758153830000000 ]    mass: 14.006700  - symbol: N  # 25    coordinates: [  0.411817950000000,  0.741846170000000,  0.475046860000000 ]    mass: 14.006700  - symbol: N  # 26    coordinates: [  0.088182050000000,  0.258153830000000,  0.975046860000000 ]    mass: 14.006700  - symbol: N  # 27    coordinates: [  0.491846170000000,  0.661817950000000,  0.774953140000000 ]    mass: 14.006700  - symbol: N  # 28    coordinates: [  0.991846170000000,  0.838182050000000,  0.225046860000000 ]    mass: 14.006700  - symbol: N  # 29    coordinates: [  0.508153830000000,  0.161817950000000,  0.725046860000000 ]    mass: 14.006700  - symbol: N  # 30    coordinates: [  0.838182050000000,  0.225046860000000,  0.991846170000000 ]    mass: 14.006700  - symbol: N  # 31    coordinates: [  0.725046860000000,  0.508153830000000,  0.161817950000000 ]    mass: 14.006700  - symbol: N  # 32    coordinates: [  0.225046860000000,  0.991846170000000,  0.838182050000000 ]    mass: 14.006700  - symbol: N  # 33    coordinates: [  0.661817950000000,  0.774953140000000,  0.491846170000000 ]    mass: 14.006700  - symbol: N  # 34    coordinates: [  0.774953140000000,  0.491846170000000,  0.661817950000000 ]    mass: 14.006700  - symbol: N  # 35    coordinates: [  0.161817950000000,  0.725046860000000,  0.508153830000000 ]    mass: 14.006700  - symbol: N  # 36    coordinates: [  0.338182050000000,  0.274953140000000,  0.008153830000000 ]    mass: 14.006700  - symbol: N  # 37    coordinates: [  0.008153830000000,  0.338182050000000,  0.274953140000000 ]    mass: 14.006700  - symbol: N  # 38    coordinates: [  0.258153830000000,  0.975046860000000,  0.088182050000000 ]    mass: 14.006700  - symbol: N  # 39    coordinates: [  0.758153830000000,  0.524953140000000,  0.911817950000000 ]    mass: 14.006700  - symbol: N  # 40    coordinates: [  0.024953140000000,  0.588182050000000,  0.241846170000000 ]    mass: 14.006700  - symbol: N  # 41    coordinates: [  0.975046860000000,  0.088182050000000,  0.258153830000000 ]    mass: 14.006700  - symbol: N  # 42    coordinates: [  0.911817950000000,  0.758153830000000,  0.524953140000000 ]    mass: 14.006700  - symbol: N  # 43    coordinates: [  0.588182050000000,  0.241846170000000,  0.024953140000000 ]    mass: 14.006700  - symbol: N  # 44    coordinates: [  0.741846170000000,  0.475046860000000,  0.411817950000000 ]    mass: 14.006700  - symbol: P  # 45    coordinates: [  0.680783850000000,  0.456205710000000,  0.547491930000000 ]    mass: 30.973762  - symbol: P  # 46    coordinates: [  0.180783850000000,  0.043794290000000,  0.452508070000000 ]    mass: 30.973762  - symbol: P  # 47    coordinates: [  0.456205710000000,  0.547491930000000,  0.680783850000000 ]    mass: 30.973762  - symbol: P  # 48    coordinates: [  0.543794290000000,  0.047491930000000,  0.819216150000000 ]    mass: 30.973762  - symbol: P  # 49    coordinates: [  0.547491930000000,  0.680783850000000,  0.456205710000000 ]    mass: 30.973762  - symbol: P  # 50    coordinates: [  0.952508070000000,  0.319216150000000,  0.956205710000000 ]    mass: 30.973762  - symbol: P  # 51    coordinates: [  0.430783850000000,  0.797491930000000,  0.793794290000000 ]    mass: 30.973762  - symbol: P  # 52    coordinates: [  0.930783850000000,  0.702508070000000,  0.206205710000000 ]    mass: 30.973762  - symbol: P  # 53    coordinates: [  0.569216150000000,  0.297491930000000,  0.706205710000000 ]    mass: 30.973762  - symbol: P  # 54    coordinates: [  0.702508070000000,  0.206205710000000,  0.930783850000000 ]    mass: 30.973762  - symbol: P  # 55    coordinates: [  0.706205710000000,  0.569216150000000,  0.297491930000000 ]    mass: 30.973762  - symbol: P  # 56    coordinates: [  0.206205710000000,  0.930783850000000,  0.702508070000000 ]    mass: 30.973762  - symbol: P  # 57    coordinates: [  0.797491930000000,  0.793794290000000,  0.430783850000000 ]    mass: 30.973762  - symbol: P  # 58    coordinates: [  0.793794290000000,  0.430783850000000,  0.797491930000000 ]    mass: 30.973762  - symbol: P  # 59    coordinates: [  0.297491930000000,  0.706205710000000,  0.569216150000000 ]    mass: 30.973762  - symbol: P  # 60    coordinates: [  0.202508070000000,  0.293794290000000,  0.069216150000000 ]    mass: 30.973762  - symbol: P  # 61    coordinates: [  0.293794290000000,  0.069216150000000,  0.202508070000000 ]    mass: 30.973762  - symbol: P  # 62    coordinates: [  0.452508070000000,  0.180783850000000,  0.043794290000000 ]    mass: 30.973762  - symbol: P  # 63    coordinates: [  0.047491930000000,  0.819216150000000,  0.543794290000000 ]    mass: 30.973762  - symbol: P  # 64    coordinates: [  0.956205710000000,  0.952508070000000,  0.319216150000000 ]    mass: 30.973762  - symbol: P  # 65    coordinates: [  0.043794290000000,  0.452508070000000,  0.180783850000000 ]    mass: 30.973762  - symbol: P  # 66    coordinates: [  0.819216150000000,  0.543794290000000,  0.047491930000000 ]    mass: 30.973762  - symbol: P  # 67    coordinates: [  0.319216150000000,  0.956205710000000,  0.952508070000000 ]    mass: 30.973762  - symbol: P  # 68    coordinates: [  0.069216150000000,  0.202508070000000,  0.293794290000000 ]    mass: 30.973762  - symbol: Cs # 69    coordinates: [  0.980864950000000,  0.980864950000000,  0.980864950000000 ]    mass: 132.905452  - symbol: Cs # 70    coordinates: [  0.230864950000000,  0.269135050000000,  0.730864950000000 ]    mass: 132.905452  - symbol: Cs # 71    coordinates: [  0.269135050000000,  0.730864950000000,  0.230864950000000 ]    mass: 132.905452  - symbol: Cs # 72    coordinates: [  0.730864950000000,  0.230864950000000,  0.269135050000000 ]    mass: 132.905452  - symbol: Cs # 73    coordinates: [  0.480864950000000,  0.519135050000000,  0.019135050000000 ]    mass: 132.905452  - symbol: Cs # 74    coordinates: [  0.519135050000000,  0.019135050000000,  0.480864950000000 ]    mass: 132.905452  - symbol: Cs # 75    coordinates: [  0.019135050000000,  0.480864950000000,  0.519135050000000 ]    mass: 132.905452  - symbol: Cs # 76    coordinates: [  0.769135050000000,  0.769135050000000,  0.769135050000000 ]    mass: 132.905452  - symbol: Cs # 77    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 132.905452  - symbol: Cs # 78    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 132.905452  - symbol: Cs # 79    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 132.905452  - symbol: Cs # 80    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 132.905452  reciprocal_lattice: # without 2pi  - [     0.093836314747644,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.093836314747644,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.093836314747644 ] # c*unit_cell:  lattice:  - [    10.656855000000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.656855000000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.656855000000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.555017860000000,  0.555017860000000,  0.555017860000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.805017860000000,  0.694982140000000,  0.305017860000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.694982140000000,  0.305017860000000,  0.805017860000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.305017860000000,  0.805017860000000,  0.694982140000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 5    coordinates: [  0.055017860000000,  0.944982140000000,  0.444982140000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.944982140000000,  0.444982140000000,  0.055017860000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.444982140000000,  0.055017860000000,  0.944982140000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.194982140000000,  0.194982140000000,  0.194982140000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.625000000000000,  0.314427200000000,  0.564427200000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.685572800000000,  0.064427200000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 11    coordinates: [  0.564427200000000,  0.625000000000000,  0.314427200000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.935572800000000,  0.375000000000000,  0.814427200000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 13    coordinates: [  0.314427200000000,  0.564427200000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.435572800000000,  0.125000000000000,  0.185572800000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 15    coordinates: [  0.064427200000000,  0.875000000000000,  0.685572800000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 16    coordinates: [  0.814427200000000,  0.935572800000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.185572800000000,  0.435572800000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.875000000000000,  0.685572800000000,  0.064427200000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.375000000000000,  0.814427200000000,  0.935572800000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.274953140000000,  0.008153830000000,  0.338182050000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 21    coordinates: [  0.125000000000000,  0.185572800000000,  0.435572800000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.241846170000000,  0.024953140000000,  0.588182050000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 23    coordinates: [  0.475046860000000,  0.411817950000000,  0.741846170000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.524953140000000,  0.911817950000000,  0.758153830000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 25    coordinates: [  0.411817950000000,  0.741846170000000,  0.475046860000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.088182050000000,  0.258153830000000,  0.975046860000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.491846170000000,  0.661817950000000,  0.774953140000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.991846170000000,  0.838182050000000,  0.225046860000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.508153830000000,  0.161817950000000,  0.725046860000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.838182050000000,  0.225046860000000,  0.991846170000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 31    coordinates: [  0.725046860000000,  0.508153830000000,  0.161817950000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.225046860000000,  0.991846170000000,  0.838182050000000 ]    mass: 14.006700    reduced_to: 32  - symbol: N  # 33    coordinates: [  0.661817950000000,  0.774953140000000,  0.491846170000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.774953140000000,  0.491846170000000,  0.661817950000000 ]    mass: 14.006700    reduced_to: 34  - symbol: N  # 35    coordinates: [  0.161817950000000,  0.725046860000000,  0.508153830000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 36    coordinates: [  0.338182050000000,  0.274953140000000,  0.008153830000000 ]    mass: 14.006700    reduced_to: 36  - symbol: N  # 37    coordinates: [  0.008153830000000,  0.338182050000000,  0.274953140000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.258153830000000,  0.975046860000000,  0.088182050000000 ]    mass: 14.006700    reduced_to: 38  - symbol: N  # 39    coordinates: [  0.758153830000000,  0.524953140000000,  0.911817950000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 40    coordinates: [  0.024953140000000,  0.588182050000000,  0.241846170000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 41    coordinates: [  0.975046860000000,  0.088182050000000,  0.258153830000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.911817950000000,  0.758153830000000,  0.524953140000000 ]    mass: 14.006700    reduced_to: 42  - symbol: N  # 43    coordinates: [  0.588182050000000,  0.241846170000000,  0.024953140000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 44    coordinates: [  0.741846170000000,  0.475046860000000,  0.411817950000000 ]    mass: 14.006700    reduced_to: 44  - symbol: P  # 45    coordinates: [  0.680783850000000,  0.456205710000000,  0.547491930000000 ]    mass: 30.973762    reduced_to: 45  - symbol: P  # 46    coordinates: [  0.180783850000000,  0.043794290000000,  0.452508070000000 ]    mass: 30.973762    reduced_to: 46  - symbol: P  # 47    coordinates: [  0.456205710000000,  0.547491930000000,  0.680783850000000 ]    mass: 30.973762    reduced_to: 47  - symbol: P  # 48    coordinates: [  0.543794290000000,  0.047491930000000,  0.819216150000000 ]    mass: 30.973762    reduced_to: 48  - symbol: P  # 49    coordinates: [  0.547491930000000,  0.680783850000000,  0.456205710000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 50    coordinates: [  0.952508070000000,  0.319216150000000,  0.956205710000000 ]    mass: 30.973762    reduced_to: 50  - symbol: P  # 51    coordinates: [  0.430783850000000,  0.797491930000000,  0.793794290000000 ]    mass: 30.973762    reduced_to: 51  - symbol: P  # 52    coordinates: [  0.930783850000000,  0.702508070000000,  0.206205710000000 ]    mass: 30.973762    reduced_to: 52  - symbol: P  # 53    coordinates: [  0.569216150000000,  0.297491930000000,  0.706205710000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 54    coordinates: [  0.702508070000000,  0.206205710000000,  0.930783850000000 ]    mass: 30.973762    reduced_to: 54  - symbol: P  # 55    coordinates: [  0.706205710000000,  0.569216150000000,  0.297491930000000 ]    mass: 30.973762    reduced_to: 55  - symbol: P  # 56    coordinates: [  0.206205710000000,  0.930783850000000,  0.702508070000000 ]    mass: 30.973762    reduced_to: 56  - symbol: P  # 57    coordinates: [  0.797491930000000,  0.793794290000000,  0.430783850000000 ]    mass: 30.973762    reduced_to: 57  - symbol: P  # 58    coordinates: [  0.793794290000000,  0.430783850000000,  0.797491930000000 ]    mass: 30.973762    reduced_to: 58  - symbol: P  # 59    coordinates: [  0.297491930000000,  0.706205710000000,  0.569216150000000 ]    mass: 30.973762    reduced_to: 59  - symbol: P  # 60    coordinates: [  0.202508070000000,  0.293794290000000,  0.069216150000000 ]    mass: 30.973762    reduced_to: 60  - symbol: P  # 61    coordinates: [  0.293794290000000,  0.069216150000000,  0.202508070000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 62    coordinates: [  0.452508070000000,  0.180783850000000,  0.043794290000000 ]    mass: 30.973762    reduced_to: 62  - symbol: P  # 63    coordinates: [  0.047491930000000,  0.819216150000000,  0.543794290000000 ]    mass: 30.973762    reduced_to: 63  - symbol: P  # 64    coordinates: [  0.956205710000000,  0.952508070000000,  0.319216150000000 ]    mass: 30.973762    reduced_to: 64  - symbol: P  # 65    coordinates: [  0.043794290000000,  0.452508070000000,  0.180783850000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 66    coordinates: [  0.819216150000000,  0.543794290000000,  0.047491930000000 ]    mass: 30.973762    reduced_to: 66  - symbol: P  # 67    coordinates: [  0.319216150000000,  0.956205710000000,  0.952508070000000 ]    mass: 30.973762    reduced_to: 67  - symbol: P  # 68    coordinates: [  0.069216150000000,  0.202508070000000,  0.293794290000000 ]    mass: 30.973762    reduced_to: 68  - symbol: Cs # 69    coordinates: [  0.980864950000000,  0.980864950000000,  0.980864950000000 ]    mass: 132.905452    reduced_to: 69  - symbol: Cs # 70    coordinates: [  0.230864950000000,  0.269135050000000,  0.730864950000000 ]    mass: 132.905452    reduced_to: 70  - symbol: Cs # 71    coordinates: [  0.269135050000000,  0.730864950000000,  0.230864950000000 ]    mass: 132.905452    reduced_to: 71  - symbol: Cs # 72    coordinates: [  0.730864950000000,  0.230864950000000,  0.269135050000000 ]    mass: 132.905452    reduced_to: 72  - symbol: Cs # 73    coordinates: [  0.480864950000000,  0.519135050000000,  0.019135050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 74    coordinates: [  0.519135050000000,  0.019135050000000,  0.480864950000000 ]    mass: 132.905452    reduced_to: 74  - symbol: Cs # 75    coordinates: [  0.019135050000000,  0.480864950000000,  0.519135050000000 ]    mass: 132.905452    reduced_to: 75  - symbol: Cs # 76    coordinates: [  0.769135050000000,  0.769135050000000,  0.769135050000000 ]    mass: 132.905452    reduced_to: 76  - symbol: Cs # 77    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 77  - symbol: Cs # 78    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 78  - symbol: Cs # 79    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 79  - symbol: Cs # 80    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 80supercell:  lattice:  - [    10.656855000000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.656855000000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.656855000000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.555017860000000,  0.555017860000000,  0.555017860000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.805017860000000,  0.694982140000000,  0.305017860000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.694982140000000,  0.305017860000000,  0.805017860000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.305017860000000,  0.805017860000000,  0.694982140000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 5    coordinates: [  0.055017860000000,  0.944982140000000,  0.444982140000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.944982140000000,  0.444982140000000,  0.055017860000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.444982140000000,  0.055017860000000,  0.944982140000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.194982140000000,  0.194982140000000,  0.194982140000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.625000000000000,  0.314427200000000,  0.564427200000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.685572800000000,  0.064427200000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 11    coordinates: [  0.564427200000000,  0.625000000000000,  0.314427200000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.935572800000000,  0.375000000000000,  0.814427200000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 13    coordinates: [  0.314427200000000,  0.564427200000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.435572800000000,  0.125000000000000,  0.185572800000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 15    coordinates: [  0.064427200000000,  0.875000000000000,  0.685572800000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 16    coordinates: [  0.814427200000000,  0.935572800000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.185572800000000,  0.435572800000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.875000000000000,  0.685572800000000,  0.064427200000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.375000000000000,  0.814427200000000,  0.935572800000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.274953140000000,  0.008153830000000,  0.338182050000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 21    coordinates: [  0.125000000000000,  0.185572800000000,  0.435572800000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.241846170000000,  0.024953140000000,  0.588182050000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 23    coordinates: [  0.475046860000000,  0.411817950000000,  0.741846170000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.524953140000000,  0.911817950000000,  0.758153830000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 25    coordinates: [  0.411817950000000,  0.741846170000000,  0.475046860000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.088182050000000,  0.258153830000000,  0.975046860000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.491846170000000,  0.661817950000000,  0.774953140000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.991846170000000,  0.838182050000000,  0.225046860000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.508153830000000,  0.161817950000000,  0.725046860000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.838182050000000,  0.225046860000000,  0.991846170000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 31    coordinates: [  0.725046860000000,  0.508153830000000,  0.161817950000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.225046860000000,  0.991846170000000,  0.838182050000000 ]    mass: 14.006700    reduced_to: 32  - symbol: N  # 33    coordinates: [  0.661817950000000,  0.774953140000000,  0.491846170000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.774953140000000,  0.491846170000000,  0.661817950000000 ]    mass: 14.006700    reduced_to: 34  - symbol: N  # 35    coordinates: [  0.161817950000000,  0.725046860000000,  0.508153830000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 36    coordinates: [  0.338182050000000,  0.274953140000000,  0.008153830000000 ]    mass: 14.006700    reduced_to: 36  - symbol: N  # 37    coordinates: [  0.008153830000000,  0.338182050000000,  0.274953140000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.258153830000000,  0.975046860000000,  0.088182050000000 ]    mass: 14.006700    reduced_to: 38  - symbol: N  # 39    coordinates: [  0.758153830000000,  0.524953140000000,  0.911817950000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 40    coordinates: [  0.024953140000000,  0.588182050000000,  0.241846170000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 41    coordinates: [  0.975046860000000,  0.088182050000000,  0.258153830000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.911817950000000,  0.758153830000000,  0.524953140000000 ]    mass: 14.006700    reduced_to: 42  - symbol: N  # 43    coordinates: [  0.588182050000000,  0.241846170000000,  0.024953140000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 44    coordinates: [  0.741846170000000,  0.475046860000000,  0.411817950000000 ]    mass: 14.006700    reduced_to: 44  - symbol: P  # 45    coordinates: [  0.680783850000000,  0.456205710000000,  0.547491930000000 ]    mass: 30.973762    reduced_to: 45  - symbol: P  # 46    coordinates: [  0.180783850000000,  0.043794290000000,  0.452508070000000 ]    mass: 30.973762    reduced_to: 46  - symbol: P  # 47    coordinates: [  0.456205710000000,  0.547491930000000,  0.680783850000000 ]    mass: 30.973762    reduced_to: 47  - symbol: P  # 48    coordinates: [  0.543794290000000,  0.047491930000000,  0.819216150000000 ]    mass: 30.973762    reduced_to: 48  - symbol: P  # 49    coordinates: [  0.547491930000000,  0.680783850000000,  0.456205710000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 50    coordinates: [  0.952508070000000,  0.319216150000000,  0.956205710000000 ]    mass: 30.973762    reduced_to: 50  - symbol: P  # 51    coordinates: [  0.430783850000000,  0.797491930000000,  0.793794290000000 ]    mass: 30.973762    reduced_to: 51  - symbol: P  # 52    coordinates: [  0.930783850000000,  0.702508070000000,  0.206205710000000 ]    mass: 30.973762    reduced_to: 52  - symbol: P  # 53    coordinates: [  0.569216150000000,  0.297491930000000,  0.706205710000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 54    coordinates: [  0.702508070000000,  0.206205710000000,  0.930783850000000 ]    mass: 30.973762    reduced_to: 54  - symbol: P  # 55    coordinates: [  0.706205710000000,  0.569216150000000,  0.297491930000000 ]    mass: 30.973762    reduced_to: 55  - symbol: P  # 56    coordinates: [  0.206205710000000,  0.930783850000000,  0.702508070000000 ]    mass: 30.973762    reduced_to: 56  - symbol: P  # 57    coordinates: [  0.797491930000000,  0.793794290000000,  0.430783850000000 ]    mass: 30.973762    reduced_to: 57  - symbol: P  # 58    coordinates: [  0.793794290000000,  0.430783850000000,  0.797491930000000 ]    mass: 30.973762    reduced_to: 58  - symbol: P  # 59    coordinates: [  0.297491930000000,  0.706205710000000,  0.569216150000000 ]    mass: 30.973762    reduced_to: 59  - symbol: P  # 60    coordinates: [  0.202508070000000,  0.293794290000000,  0.069216150000000 ]    mass: 30.973762    reduced_to: 60  - symbol: P  # 61    coordinates: [  0.293794290000000,  0.069216150000000,  0.202508070000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 62    coordinates: [  0.452508070000000,  0.180783850000000,  0.043794290000000 ]    mass: 30.973762    reduced_to: 62  - symbol: P  # 63    coordinates: [  0.047491930000000,  0.819216150000000,  0.543794290000000 ]    mass: 30.973762    reduced_to: 63  - symbol: P  # 64    coordinates: [  0.956205710000000,  0.952508070000000,  0.319216150000000 ]    mass: 30.973762    reduced_to: 64  - symbol: P  # 65    coordinates: [  0.043794290000000,  0.452508070000000,  0.180783850000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 66    coordinates: [  0.819216150000000,  0.543794290000000,  0.047491930000000 ]    mass: 30.973762    reduced_to: 66  - symbol: P  # 67    coordinates: [  0.319216150000000,  0.956205710000000,  0.952508070000000 ]    mass: 30.973762    reduced_to: 67  - symbol: P  # 68    coordinates: [  0.069216150000000,  0.202508070000000,  0.293794290000000 ]    mass: 30.973762    reduced_to: 68  - symbol: Cs # 69    coordinates: [  0.980864950000000,  0.980864950000000,  0.980864950000000 ]    mass: 132.905452    reduced_to: 69  - symbol: Cs # 70    coordinates: [  0.230864950000000,  0.269135050000000,  0.730864950000000 ]    mass: 132.905452    reduced_to: 70  - symbol: Cs # 71    coordinates: [  0.269135050000000,  0.730864950000000,  0.230864950000000 ]    mass: 132.905452    reduced_to: 71  - symbol: Cs # 72    coordinates: [  0.730864950000000,  0.230864950000000,  0.269135050000000 ]    mass: 132.905452    reduced_to: 72  - symbol: Cs # 73    coordinates: [  0.480864950000000,  0.519135050000000,  0.019135050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 74    coordinates: [  0.519135050000000,  0.019135050000000,  0.480864950000000 ]    mass: 132.905452    reduced_to: 74  - symbol: Cs # 75    coordinates: [  0.019135050000000,  0.480864950000000,  0.519135050000000 ]    mass: 132.905452    reduced_to: 75  - symbol: Cs # 76    coordinates: [  0.769135050000000,  0.769135050000000,  0.769135050000000 ]    mass: 132.905452    reduced_to: 76  - symbol: Cs # 77    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 77  - symbol: Cs # 78    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 78  - symbol: Cs # 79    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 79  - symbol: Cs # 80    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 80displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.2823647600000000,  0.0958425800000000,  0.0910675100000000 ]  - [   0.0016055600000000,  0.0023678200000000, -0.0018852800000000 ]  - [  -0.0021288100000000, -0.0023675100000000,  0.0026821700000000 ]  - [   0.0016282600000000, -0.0059597400000000, -0.0026712100000000 ]  - [   0.0024129200000000, -0.0007558500000000,  0.0015345700000000 ]  - [   0.0016669700000000, -0.0000231000000000,  0.0007627500000000 ]  - [  -0.0010037000000000, -0.0015396800000000, -0.0000268000000000 ]  - [   0.0011818600000000, -0.0004992200000000,  0.0006455600000000 ]  - [  -0.0043878500000000, -0.0062018500000000,  0.0052674000000000 ]  - [  -0.0008140400000000, -0.0014966300000000, -0.0001946900000000 ]  - [  -0.0092878100000000,  0.0054290300000000, -0.0048366600000000 ]  - [   0.0036010700000000, -0.0027359100000000,  0.0048625500000000 ]  - [   0.0293522000000000, -0.0096141800000000, -0.0142426400000000 ]  - [  -0.0004961900000000, -0.0002776400000000,  0.0005500100000000 ]  - [   0.0020073500000000, -0.0011445400000000,  0.0001177000000000 ]  - [   0.0030891100000000,  0.0018697700000000, -0.0009929900000000 ]  - [   0.0014315400000000,  0.0003310800000000, -0.0000016300000000 ]  - [   0.0013741800000000,  0.0010302700000000, -0.0005891900000000 ]  - [   0.0005493700000000, -0.0028028500000000, -0.0016111700000000 ]  - [  -0.0000631700000000, -0.0006279000000000,  0.0005123900000000 ]  - [   0.0011056300000000, -0.0003003100000000,  0.0009656800000000 ]  - [   0.0004539400000000, -0.0016576500000000,  0.0011423200000000 ]  - [  -0.0067298700000000,  0.0070877600000000, -0.0039016200000000 ]  - [  -0.0024684300000000, -0.0029688900000000, -0.0001191800000000 ]  - [   0.0105054800000000, -0.0233212300000000,  0.0112606200000000 ]  - [   0.0021221700000000, -0.0002293900000000,  0.0012585300000000 ]  - [  -0.0019063600000000, -0.0058752100000000, -0.0099485000000000 ]  - [   0.0011141000000000,  0.0005133600000000,  0.0004601700000000 ]  - [  -0.0015688700000000, -0.0010140700000000,  0.0016121000000000 ]  - [  -0.0004153400000000, -0.0004808900000000,  0.0000957300000000 ]  - [   0.0006285400000000,  0.0013950900000000, -0.0039767800000000 ]  - [   0.0009090300000000, -0.0015773200000000, -0.0011816000000000 ]  - [   0.0045369800000000,  0.0166697100000000, -0.0081098200000000 ]  - [   0.0181728500000000, -0.0152055200000000,  0.0206675500000000 ]  - [   0.0083237400000000, -0.0032975500000000,  0.0020768700000000 ]  - [   0.0001994800000000, -0.0005064800000000,  0.0001336100000000 ]  - [   0.0016769500000000, -0.0008382400000000, -0.0004202000000000 ]  - [   0.0004303600000000, -0.0005048300000000, -0.0008596100000000 ]  - [   0.0004190400000000,  0.0001030100000000,  0.0021765200000000 ]  - [   0.0011220400000000, -0.0000353800000000, -0.0003543900000000 ]  - [   0.0017156400000000,  0.0003642200000000,  0.0005765400000000 ]  - [   0.0046878300000000,  0.0009117400000000,  0.0008801300000000 ]  - [  -0.0017307100000000, -0.0007762900000000, -0.0001388500000000 ]  - [   0.0144553300000000, -0.0055989700000000, -0.0191028200000000 ]  - [   0.0917317900000000, -0.0409167900000000, -0.0140631400000000 ]  - [  -0.0019275300000000,  0.0008291400000000, -0.0009700300000000 ]  - [   0.0759334200000000, -0.0084114200000000, -0.0397312700000000 ]  - [   0.0014580000000000,  0.0027496200000000,  0.0007928000000000 ]  - [   0.0544188000000000, -0.0110375000000000, -0.0106200900000000 ]  - [  -0.0010811900000000,  0.0015617500000000, -0.0019971000000000 ]  - [  -0.0001918500000000,  0.0085911700000000,  0.0021364300000000 ]  - [  -0.0032820700000000, -0.0002366900000000,  0.0008764400000000 ]  - [   0.0100827000000000, -0.0041738000000000, -0.0067142900000000 ]  - [   0.0011945800000000,  0.0018411100000000, -0.0015228000000000 ]  - 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