# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/73f93dfa-63f0-4671-8112-fa93113bb96d/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 CsZr2(PO4)3 / R-3c (167) / materials id 560091](https://mdr.nims.go.jp/datasets/1823d935-5b49-4f1c-9d73-6b4b490dbde9)

## 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:  - [     4.320500486666671,     2.494442116666664,     8.324126196666658 ] # a  - [    -4.320500483333329,     2.494442116666664,     8.324126196666658 ] # b  - [    -0.000000003333329,    -4.988884233333335,     8.324126196666658 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.500000000000000,  0.500000010000000,  0.500000000000000 ]    mass: 132.905452  - symbol: Zr # 3    coordinates: [  0.152481770000000,  0.152481770000000,  0.152481770000000 ]    mass: 91.224000  - symbol: Zr # 4    coordinates: [  0.652481770000000,  0.652481780000001,  0.652481770000000 ]    mass: 91.224000  - symbol: Zr # 5    coordinates: [  0.347518220000000,  0.347518230000000,  0.347518220000000 ]    mass: 91.224000  - symbol: Zr # 6    coordinates: [  0.847518230000000,  0.847518220000000,  0.847518230000000 ]    mass: 91.224000  - symbol: P  # 7    coordinates: [  0.250000000000000,  0.967789550000001,  0.532210450000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.532210450000000,  0.250000000000001,  0.967789550000000 ]    mass: 30.973762  - symbol: P  # 9    coordinates: [  0.967789550000000,  0.532210450000001,  0.250000000000000 ]    mass: 30.973762  - symbol: P  # 10    coordinates: [  0.467789540000000,  0.750000000000000,  0.032210450000000 ]    mass: 30.973762  - symbol: P  # 11    coordinates: [  0.750000000000000,  0.032210450000000,  0.467789540000000 ]    mass: 30.973762  - symbol: P  # 12    coordinates: [  0.032210450000000,  0.467789540000000,  0.750000000000000 ]    mass: 30.973762  - symbol: O  # 13    coordinates: [  0.423696280000000,  0.574709650000000,  0.193142480000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.576303710000000,  0.425290360000001,  0.806857510000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.646167550000000,  0.732690190000000,  0.013874360000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.306857510000000,  0.925290350000000,  0.076303710000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.013874360000000,  0.646167560000000,  0.732690180000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.074709630000000,  0.923696300000001,  0.693142490000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.732690180000000,  0.013874370000000,  0.646167550000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.193142480000000,  0.423696300000000,  0.574709630000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.853832450000000,  0.486125640000000,  0.767309820000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.425290370000000,  0.806857500000001,  0.576303710000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.513874350000000,  0.232690190000001,  0.146167540000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.076303710000000,  0.306857500000000,  0.925290360000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.806857510000000,  0.576303700000001,  0.425290370000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.767309820000000,  0.853832450000000,  0.486125640000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.353832460000000,  0.267309810000001,  0.986125650000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.267309830000000,  0.986125630000001,  0.353832460000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.986125650000000,  0.353832440000000,  0.267309830000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.693142490000000,  0.074709640000001,  0.923696290000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.232690170000000,  0.146167560000001,  0.513874350000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.923696290000000,  0.693142500000001,  0.074709630000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.146167540000000,  0.513874370000001,  0.232690170000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.925290360000000,  0.076303700000000,  0.306857510000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.486125640000000,  0.767309820000000,  0.853832450000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.574709630000000,  0.193142500000000,  0.423696280000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.115727333380915,     0.066815207039763,     0.040044243138315 ] # a*  - [    -0.115727333380915,     0.066815207194410,     0.040044243138315 ] # b*  - [     0.000000000000000,    -0.133630414234173,     0.040044243138315 ] # c*unit_cell:  lattice:  - [     8.641000970000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.320500480000000,     7.483326350000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    24.972378590000002 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Zr # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.152481770000000 ]    mass: 91.224000    reduced_to: 7  - symbol: Zr # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.319148440000000 ]    mass: 91.224000    reduced_to: 8  - symbol: Zr # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.014184890000000 ]    mass: 91.224000    reduced_to: 9  - symbol: Zr # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.180851560000000 ]    mass: 91.224000    reduced_to: 10  - symbol: Zr # 11    coordinates: [  0.666666670000000,  0.333333330000000,  0.485815110000000 ]    mass: 91.224000    reduced_to: 7  - symbol: Zr # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.652481770000000 ]    mass: 91.224000    reduced_to: 8  - symbol: Zr # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.347518230000000 ]    mass: 91.224000    reduced_to: 9  - symbol: Zr # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.514184890000000 ]    mass: 91.224000    reduced_to: 10  - symbol: Zr # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.819148440000000 ]    mass: 91.224000    reduced_to: 7  - symbol: Zr # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.985815110000000 ]    mass: 91.224000    reduced_to: 8  - symbol: Zr # 17    coordinates: [  0.666666670000000,  0.333333330000000,  0.680851560000000 ]    mass: 91.224000    reduced_to: 9  - symbol: Zr # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.847518230000000 ]    mass: 91.224000    reduced_to: 10  - symbol: P  # 19    coordinates: [  0.000000000000000,  0.717789550000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 20    coordinates: [  0.282210450000000,  0.282210450000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 21    coordinates: [  0.717789550000000,  0.000000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 22    coordinates: [  0.384456210000000,  0.051122880000000,  0.083333330000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 23    coordinates: [  0.666666670000000,  0.615543790000000,  0.083333330000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 24    coordinates: [  0.948877120000000,  0.333333330000000,  0.083333330000000 ]    mass: 30.973762    reduced_to: 24  - symbol: P  # 25    coordinates: [  0.666666670000000,  0.051122880000000,  0.583333330000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 26    coordinates: [  0.948877120000000,  0.615543790000000,  0.583333330000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 27    coordinates: [  0.384456210000000,  0.333333330000000,  0.583333330000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 28    coordinates: [  0.051122880000000,  0.384456210000000,  0.416666670000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 29    coordinates: [  0.333333330000000,  0.948877120000000,  0.416666670000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 30    coordinates: [  0.615543790000000,  0.666666670000000,  0.416666670000000 ]    mass: 30.973762    reduced_to: 24  - symbol: P  # 31    coordinates: [  0.333333330000000,  0.384456210000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 32    coordinates: [  0.615543790000000,  0.948877120000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 33    coordinates: [  0.051122880000000,  0.666666670000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 34    coordinates: [  0.717789550000000,  0.717789550000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 35    coordinates: [  0.000000000000000,  0.282210450000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 36    coordinates: [  0.282210450000000,  0.000000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 24  - symbol: O  # 37    coordinates: [  0.359846810000000,  0.870706990000000,  0.063849470000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.306819850000000,  0.462626350000000,  0.269483860000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.515256850000000,  0.117036340000000,  0.130910700000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.204040320000000,  0.026513480000000,  0.102817190000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.882963660000000,  0.398220520000000,  0.130910700000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.844193490000000,  0.537373650000000,  0.230516140000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.601779480000000,  0.484743150000000,  0.130910700000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.129293010000000,  0.489139840000000,  0.063849470000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.818076480000000,  0.268446150000000,  0.035755970000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.155806510000000,  0.693180150000000,  0.269483860000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.216296990000000,  0.151409820000000,  0.297577360000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.973486520000000,  0.177526830000000,  0.102817190000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.537373650000000,  0.844193490000000,  0.269483860000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.731553850000000,  0.549630330000000,  0.035755970000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.151409820000000,  0.216296990000000,  0.202422640000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.064887190000000,  0.848590180000000,  0.202422640000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.783703010000000,  0.935112810000000,  0.202422640000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.462626350000000,  0.306819850000000,  0.230516140000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.935112810000000,  0.783703010000000,  0.297577360000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.693180150000000,  0.155806510000000,  0.230516140000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.848590180000000,  0.064887190000000,  0.297577360000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.822473170000000,  0.795959680000000,  0.102817190000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.450369670000000,  0.181923520000000,  0.035755970000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.510860160000000,  0.640153190000000,  0.063849470000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.026513480000000,  0.204040320000000,  0.397182810000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.973486520000000,  0.795959680000000,  0.602817190000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.181923520000000,  0.450369670000000,  0.464244030000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.870706990000000,  0.359846810000000,  0.436150530000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.549630330000000,  0.731553850000000,  0.464244030000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.510860160000000,  0.870706990000000,  0.563849470000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.268446150000000,  0.818076480000000,  0.464244030000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.795959680000000,  0.822473170000000,  0.397182810000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.484743150000000,  0.601779480000000,  0.369089300000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.822473170000000,  0.026513480000000,  0.602817190000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.882963660000000,  0.484743150000000,  0.630910700000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.640153190000000,  0.510860160000000,  0.436150530000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.204040320000000,  0.177526830000000,  0.602817190000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.398220520000000,  0.882963660000000,  0.369089300000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.818076480000000,  0.549630330000000,  0.535755970000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.731553850000000,  0.181923520000000,  0.535755970000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.450369670000000,  0.268446150000000,  0.535755970000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.129293010000000,  0.640153190000000,  0.563849470000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.601779480000000,  0.117036340000000,  0.630910700000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.359846810000000,  0.489139840000000,  0.563849470000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 81    coordinates: [  0.515256850000000,  0.398220520000000,  0.630910700000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 82    coordinates: [  0.489139840000000,  0.129293010000000,  0.436150530000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 83    coordinates: [  0.117036340000000,  0.515256850000000,  0.369089300000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 84    coordinates: [  0.177526830000000,  0.973486520000000,  0.397182810000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 85    coordinates: [  0.693180150000000,  0.537373650000000,  0.730516140000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 86    coordinates: [  0.640153190000000,  0.129293010000000,  0.936150530000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 87    coordinates: [  0.848590180000000,  0.783703010000000,  0.797577360000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 88    coordinates: [  0.537373650000000,  0.693180150000000,  0.769483860000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 89    coordinates: [  0.216296990000000,  0.064887190000000,  0.797577360000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 90    coordinates: [  0.177526830000000,  0.204040320000000,  0.897182810000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 91    coordinates: [  0.935112810000000,  0.151409820000000,  0.797577360000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 92    coordinates: [  0.462626350000000,  0.155806510000000,  0.730516140000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 93    coordinates: [  0.151409820000000,  0.935112810000000,  0.702422640000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 94    coordinates: [  0.489139840000000,  0.359846810000000,  0.936150530000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 95    coordinates: [  0.549630330000000,  0.818076480000000,  0.964244030000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 96    coordinates: [  0.306819850000000,  0.844193490000000,  0.769483860000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 97    coordinates: [  0.870706990000000,  0.510860160000000,  0.936150530000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 98    coordinates: [  0.064887190000000,  0.216296990000000,  0.702422640000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 99    coordinates: [  0.484743150000000,  0.882963660000000,  0.869089300000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 100    coordinates: [  0.398220520000000,  0.515256850000000,  0.869089300000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 101    coordinates: [  0.117036340000000,  0.601779480000000,  0.869089300000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 102    coordinates: [  0.795959680000000,  0.973486520000000,  0.897182810000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 103    coordinates: [  0.268446150000000,  0.450369670000000,  0.964244030000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 104    coordinates: [  0.026513480000000,  0.822473170000000,  0.897182810000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 105    coordinates: [  0.181923520000000,  0.731553850000000,  0.964244030000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 106    coordinates: [  0.155806510000000,  0.462626350000000,  0.769483860000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 107    coordinates: [  0.783703010000000,  0.848590180000000,  0.702422640000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 108    coordinates: [  0.844193490000000,  0.306819850000000,  0.730516140000000 ]    mass: 15.999400    reduced_to: 60supercell:  lattice:  - [     8.641000970000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.320500480000000,     7.483326350000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    24.972378590000002 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Zr # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.152481770000000 ]    mass: 91.224000    reduced_to: 7  - symbol: Zr # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.319148440000000 ]    mass: 91.224000    reduced_to: 8  - symbol: Zr # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.014184890000000 ]    mass: 91.224000    reduced_to: 9  - symbol: Zr # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.180851560000000 ]    mass: 91.224000    reduced_to: 10  - symbol: Zr # 11    coordinates: [  0.666666670000000,  0.333333330000000,  0.485815110000000 ]    mass: 91.224000    reduced_to: 7  - symbol: Zr # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.652481770000000 ]    mass: 91.224000    reduced_to: 8  - symbol: Zr # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.347518230000000 ]    mass: 91.224000    reduced_to: 9  - symbol: Zr # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.514184890000000 ]    mass: 91.224000    reduced_to: 10  - symbol: Zr # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.819148440000000 ]    mass: 91.224000    reduced_to: 7  - symbol: Zr # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.985815110000000 ]    mass: 91.224000    reduced_to: 8  - symbol: Zr # 17    coordinates: [  0.666666670000000,  0.333333330000000,  0.680851560000000 ]    mass: 91.224000    reduced_to: 9  - symbol: Zr # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.847518230000000 ]    mass: 91.224000    reduced_to: 10  - symbol: P  # 19    coordinates: [  0.000000000000000,  0.717789550000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 20    coordinates: [  0.282210450000000,  0.282210450000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 21    coordinates: [  0.717789550000000,  0.000000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 22    coordinates: [  0.384456210000000,  0.051122880000000,  0.083333330000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 23    coordinates: [  0.666666670000000,  0.615543790000000,  0.083333330000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 24    coordinates: [  0.948877120000000,  0.333333330000000,  0.083333330000000 ]    mass: 30.973762    reduced_to: 24  - symbol: P  # 25    coordinates: [  0.666666670000000,  0.051122880000000,  0.583333330000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 26    coordinates: [  0.948877120000000,  0.615543790000000,  0.583333330000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 27    coordinates: [  0.384456210000000,  0.333333330000000,  0.583333330000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 28    coordinates: [  0.051122880000000,  0.384456210000000,  0.416666670000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 29    coordinates: [  0.333333330000000,  0.948877120000000,  0.416666670000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 30    coordinates: [  0.615543790000000,  0.666666670000000,  0.416666670000000 ]    mass: 30.973762    reduced_to: 24  - symbol: P  # 31    coordinates: [  0.333333330000000,  0.384456210000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 32    coordinates: [  0.615543790000000,  0.948877120000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 33    coordinates: [  0.051122880000000,  0.666666670000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 34    coordinates: [  0.717789550000000,  0.717789550000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 35    coordinates: [  0.000000000000000,  0.282210450000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 36    coordinates: [  0.282210450000000,  0.000000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 24  - symbol: O  # 37    coordinates: [  0.359846810000000,  0.870706990000000,  0.063849470000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.306819850000000,  0.462626350000000,  0.269483860000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.515256850000000,  0.117036340000000,  0.130910700000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.204040320000000,  0.026513480000000,  0.102817190000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.882963660000000,  0.398220520000000,  0.130910700000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.844193490000000,  0.537373650000000,  0.230516140000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.601779480000000,  0.484743150000000,  0.130910700000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.129293010000000,  0.489139840000000,  0.063849470000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.818076480000000,  0.268446150000000,  0.035755970000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.155806510000000,  0.693180150000000,  0.269483860000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.216296990000000,  0.151409820000000,  0.297577360000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.973486520000000,  0.177526830000000,  0.102817190000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.537373650000000,  0.844193490000000,  0.269483860000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.731553850000000,  0.549630330000000,  0.035755970000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.151409820000000,  0.216296990000000,  0.202422640000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.064887190000000,  0.848590180000000,  0.202422640000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.783703010000000,  0.935112810000000,  0.202422640000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.462626350000000,  0.306819850000000,  0.230516140000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.935112810000000,  0.783703010000000,  0.297577360000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.693180150000000,  0.155806510000000,  0.230516140000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.848590180000000,  0.064887190000000,  0.297577360000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.822473170000000,  0.795959680000000,  0.102817190000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.450369670000000,  0.181923520000000,  0.035755970000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.510860160000000,  0.640153190000000,  0.063849470000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.026513480000000,  0.204040320000000,  0.397182810000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.973486520000000,  0.795959680000000,  0.602817190000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.181923520000000,  0.450369670000000,  0.464244030000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.870706990000000,  0.359846810000000,  0.436150530000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.549630330000000,  0.731553850000000,  0.464244030000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.510860160000000,  0.870706990000000,  0.563849470000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.268446150000000,  0.818076480000000,  0.464244030000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.795959680000000,  0.822473170000000,  0.397182810000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.484743150000000,  0.601779480000000,  0.369089300000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.822473170000000,  0.026513480000000,  0.602817190000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.882963660000000,  0.484743150000000,  0.630910700000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.640153190000000,  0.510860160000000,  0.436150530000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.204040320000000,  0.177526830000000,  0.602817190000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.398220520000000,  0.882963660000000,  0.369089300000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.818076480000000,  0.549630330000000,  0.535755970000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.731553850000000,  0.181923520000000,  0.535755970000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.450369670000000,  0.268446150000000,  0.535755970000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.129293010000000,  0.640153190000000,  0.563849470000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.601779480000000,  0.117036340000000,  0.630910700000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.359846810000000,  0.489139840000000,  0.563849470000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 81    coordinates: [  0.515256850000000,  0.398220520000000,  0.630910700000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 82    coordinates: [  0.489139840000000,  0.129293010000000,  0.436150530000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 83    coordinates: [  0.117036340000000,  0.515256850000000,  0.369089300000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 84    coordinates: [  0.177526830000000,  0.973486520000000,  0.397182810000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 85    coordinates: [  0.693180150000000,  0.537373650000000,  0.730516140000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 86    coordinates: [  0.640153190000000,  0.129293010000000,  0.936150530000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 87    coordinates: [  0.848590180000000,  0.783703010000000,  0.797577360000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 88    coordinates: [  0.537373650000000,  0.693180150000000,  0.769483860000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 89    coordinates: [  0.216296990000000,  0.064887190000000,  0.797577360000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 90    coordinates: [  0.177526830000000,  0.204040320000000,  0.897182810000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 91    coordinates: [  0.935112810000000,  0.151409820000000,  0.797577360000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 92    coordinates: [  0.462626350000000,  0.155806510000000,  0.730516140000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 93    coordinates: [  0.151409820000000,  0.935112810000000,  0.702422640000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 94    coordinates: [  0.489139840000000,  0.359846810000000,  0.936150530000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 95    coordinates: [  0.549630330000000,  0.818076480000000,  0.964244030000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 96    coordinates: [  0.306819850000000,  0.844193490000000,  0.769483860000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 97    coordinates: [  0.870706990000000,  0.510860160000000,  0.936150530000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 98    coordinates: [  0.064887190000000,  0.216296990000000,  0.702422640000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 99    coordinates: [  0.484743150000000,  0.882963660000000,  0.869089300000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 100    coordinates: [  0.398220520000000,  0.515256850000000,  0.869089300000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 101    coordinates: [  0.117036340000000,  0.601779480000000,  0.869089300000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 102    coordinates: [  0.795959680000000,  0.973486520000000,  0.897182810000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 103    coordinates: [  0.268446150000000,  0.450369670000000,  0.964244030000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 104    coordinates: [  0.026513480000000,  0.822473170000000,  0.897182810000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 105    coordinates: [  0.181923520000000,  0.731553850000000,  0.964244030000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 106    coordinates: [  0.155806510000000,  0.462626350000000,  0.769483860000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 107    coordinates: [  0.783703010000000,  0.848590180000000,  0.702422640000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 108    coordinates: [  0.844193490000000,  0.306819850000000,  0.730516140000000 ]    mass: 15.999400    reduced_to: 60displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0143268400000000,  0.0000004700000000, -0.0000018100000000 ]  - [   0.0001779000000000, -0.0001519600000000,  0.0000008800000000 ]  - [   0.0000319800000000, -0.0000000500000000,  0.0000009800000000 ]  - 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