# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/692de32e-d3e7-4206-9991-7a5018dc7b0b/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 DyHO2 / Pnma (62) / materials id 755659](https://mdr.nims.go.jp/datasets/fdb2fbf4-c622-4f35-952e-0e6e1af2689e)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   1,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [    10.676172720000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.503154500000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.002555389999999 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.857019020000000,  0.250000000000000,  0.111636650000000 ]    mass: 162.500000  - symbol: Dy # 2    coordinates: [  0.357019020000000,  0.250000000000000,  0.388363350000000 ]    mass: 162.500000  - symbol: Dy # 3    coordinates: [  0.642980980000000,  0.750000000000000,  0.611636650000000 ]    mass: 162.500000  - symbol: Dy # 4    coordinates: [  0.142980980000000,  0.750000000000000,  0.888363350000000 ]    mass: 162.500000  - symbol: H  # 5    coordinates: [  0.604986050000000,  0.250000000000000,  0.140580230000000 ]    mass: 1.007940  - symbol: H  # 6    coordinates: [  0.104986050000000,  0.250000000000000,  0.359419770000000 ]    mass: 1.007940  - symbol: H  # 7    coordinates: [  0.895013950000000,  0.750000000000000,  0.640580230000000 ]    mass: 1.007940  - symbol: H  # 8    coordinates: [  0.395013950000000,  0.750000000000000,  0.859419770000000 ]    mass: 1.007940  - symbol: O  # 9    coordinates: [  0.071686630000000,  0.250000000000000,  0.168003740000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.314325380000000,  0.750000000000000,  0.135463400000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.814325380000000,  0.750000000000000,  0.364536600000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.571686630000000,  0.250000000000000,  0.331996260000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.428313370000000,  0.750000000000000,  0.668003740000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.185674620000000,  0.250000000000000,  0.635463400000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.685674620000000,  0.250000000000000,  0.864536600000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.928313370000000,  0.750000000000000,  0.831996260000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.093666525095334,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.285457007391481,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.199897836613459 ] # c*unit_cell:  lattice:  - [    10.676172720000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.503154500000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.002555390000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.857019020000000,  0.250000000000000,  0.111636650000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.357019020000000,  0.250000000000000,  0.388363350000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.642980980000000,  0.750000000000000,  0.611636650000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.142980980000000,  0.750000000000000,  0.888363350000000 ]    mass: 162.500000    reduced_to: 4  - symbol: H  # 5    coordinates: [  0.604986050000000,  0.250000000000000,  0.140580230000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 6    coordinates: [  0.104986050000000,  0.250000000000000,  0.359419770000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 7    coordinates: [  0.895013950000000,  0.750000000000000,  0.640580230000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 8    coordinates: [  0.395013950000000,  0.750000000000000,  0.859419770000000 ]    mass: 1.007940    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.071686630000000,  0.250000000000000,  0.168003740000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.314325380000000,  0.750000000000000,  0.135463400000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.814325380000000,  0.750000000000000,  0.364536600000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.571686630000000,  0.250000000000000,  0.331996260000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.428313370000000,  0.750000000000000,  0.668003740000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.185674620000000,  0.250000000000000,  0.635463400000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.685674620000000,  0.250000000000000,  0.864536600000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.928313370000000,  0.750000000000000,  0.831996260000000 ]    mass: 15.999400    reduced_to: 16supercell:  lattice:  - [    10.676172720000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.509463499999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.007666170000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.857019020000000,  0.083333333333333,  0.037212216666667 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.857019020000000,  0.416666666666667,  0.037212216666667 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 3    coordinates: [  0.857019020000000,  0.750000000000000,  0.037212216666667 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 4    coordinates: [  0.857019020000000,  0.083333333333333,  0.370545550000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 5    coordinates: [  0.857019020000000,  0.416666666666667,  0.370545550000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 6    coordinates: [  0.857019020000000,  0.750000000000000,  0.370545550000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 7    coordinates: [  0.857019020000000,  0.083333333333333,  0.703878883333333 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 8    coordinates: [  0.857019020000000,  0.416666666666667,  0.703878883333333 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 9    coordinates: [  0.857019020000000,  0.750000000000000,  0.703878883333333 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 10    coordinates: [  0.357019020000000,  0.083333333333333,  0.129454450000000 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 11    coordinates: [  0.357019020000000,  0.416666666666667,  0.129454450000000 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 12    coordinates: [  0.357019020000000,  0.750000000000000,  0.129454450000000 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 13    coordinates: [  0.357019020000000,  0.083333333333333,  0.462787783333333 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 14    coordinates: [  0.357019020000000,  0.416666666666667,  0.462787783333333 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 15    coordinates: [  0.357019020000000,  0.750000000000000,  0.462787783333333 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 16    coordinates: [  0.357019020000000,  0.083333333333333,  0.796121116666667 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 17    coordinates: [  0.357019020000000,  0.416666666666667,  0.796121116666667 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 18    coordinates: [  0.357019020000000,  0.750000000000000,  0.796121116666667 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 19    coordinates: [  0.642980980000000,  0.250000000000000,  0.203878883333333 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 20    coordinates: [  0.642980980000000,  0.583333333333333,  0.203878883333333 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 21    coordinates: [  0.642980980000000,  0.916666666666667,  0.203878883333333 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 22    coordinates: [  0.642980980000000,  0.250000000000000,  0.537212216666667 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 23    coordinates: [  0.642980980000000,  0.583333333333333,  0.537212216666667 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 24    coordinates: [  0.642980980000000,  0.916666666666667,  0.537212216666667 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 25    coordinates: [  0.642980980000000,  0.250000000000000,  0.870545550000000 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 26    coordinates: [  0.642980980000000,  0.583333333333333,  0.870545550000000 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 27    coordinates: [  0.642980980000000,  0.916666666666667,  0.870545550000000 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 28    coordinates: [  0.142980980000000,  0.250000000000000,  0.296121116666667 ]    mass: 162.500000    reduced_to: 28  - symbol: Dy # 29    coordinates: [  0.142980980000000,  0.583333333333333,  0.296121116666667 ]    mass: 162.500000    reduced_to: 28  - symbol: Dy # 30    coordinates: [  0.142980980000000,  0.916666666666667,  0.296121116666667 ]    mass: 162.500000    reduced_to: 28  - symbol: Dy # 31    coordinates: [  0.142980980000000,  0.250000000000000,  0.629454450000000 ]    mass: 162.500000    reduced_to: 28  - symbol: Dy # 32    coordinates: [  0.142980980000000,  0.583333333333333,  0.629454450000000 ]    mass: 162.500000    reduced_to: 28  - symbol: Dy # 33    coordinates: [  0.142980980000000,  0.916666666666667,  0.629454450000000 ]    mass: 162.500000    reduced_to: 28  - symbol: Dy # 34    coordinates: [  0.142980980000000,  0.250000000000000,  0.962787783333333 ]    mass: 162.500000    reduced_to: 28  - symbol: Dy # 35    coordinates: [  0.142980980000000,  0.583333333333333,  0.962787783333333 ]    mass: 162.500000    reduced_to: 28  - symbol: Dy # 36    coordinates: [  0.142980980000000,  0.916666666666667,  0.962787783333333 ]    mass: 162.500000    reduced_to: 28  - symbol: H  # 37    coordinates: [  0.604986050000000,  0.083333333333333,  0.046860076666667 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 38    coordinates: [  0.604986050000000,  0.416666666666667,  0.046860076666667 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 39    coordinates: [  0.604986050000000,  0.750000000000000,  0.046860076666667 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 40    coordinates: [  0.604986050000000,  0.083333333333333,  0.380193410000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 41    coordinates: [  0.604986050000000,  0.416666666666667,  0.380193410000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 42    coordinates: [  0.604986050000000,  0.750000000000000,  0.380193410000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 43    coordinates: [  0.604986050000000,  0.083333333333333,  0.713526743333333 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 44    coordinates: [  0.604986050000000,  0.416666666666667,  0.713526743333333 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 45    coordinates: [  0.604986050000000,  0.750000000000000,  0.713526743333333 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 46    coordinates: [  0.104986050000000,  0.083333333333333,  0.119806590000000 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 47    coordinates: [  0.104986050000000,  0.416666666666667,  0.119806590000000 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 48    coordinates: [  0.104986050000000,  0.750000000000000,  0.119806590000000 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 49    coordinates: [  0.104986050000000,  0.083333333333333,  0.453139923333333 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 50    coordinates: [  0.104986050000000,  0.416666666666667,  0.453139923333333 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 51    coordinates: [  0.104986050000000,  0.750000000000000,  0.453139923333333 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 52    coordinates: [  0.104986050000000,  0.083333333333333,  0.786473256666667 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 53    coordinates: [  0.104986050000000,  0.416666666666667,  0.786473256666667 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 54    coordinates: [  0.104986050000000,  0.750000000000000,  0.786473256666667 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 55    coordinates: [  0.895013950000000,  0.250000000000000,  0.213526743333333 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 56    coordinates: [  0.895013950000000,  0.583333333333333,  0.213526743333333 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 57    coordinates: [  0.895013950000000,  0.916666666666667,  0.213526743333333 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 58    coordinates: [  0.895013950000000,  0.250000000000000,  0.546860076666667 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 59    coordinates: [  0.895013950000000,  0.583333333333333,  0.546860076666667 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 60    coordinates: [  0.895013950000000,  0.916666666666667,  0.546860076666667 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 61    coordinates: [  0.895013950000000,  0.250000000000000,  0.880193410000000 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 62    coordinates: [  0.895013950000000,  0.583333333333333,  0.880193410000000 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 63    coordinates: [  0.895013950000000,  0.916666666666667,  0.880193410000000 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 64    coordinates: [  0.395013950000000,  0.250000000000000,  0.286473256666667 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 65    coordinates: [  0.395013950000000,  0.583333333333333,  0.286473256666667 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 66    coordinates: [  0.395013950000000,  0.916666666666667,  0.286473256666667 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 67    coordinates: [  0.395013950000000,  0.250000000000000,  0.619806590000000 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 68    coordinates: [  0.395013950000000,  0.583333333333333,  0.619806590000000 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 69    coordinates: [  0.395013950000000,  0.916666666666667,  0.619806590000000 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 70    coordinates: [  0.395013950000000,  0.250000000000000,  0.953139923333333 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 71    coordinates: [  0.395013950000000,  0.583333333333333,  0.953139923333333 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 72    coordinates: [  0.395013950000000,  0.916666666666667,  0.953139923333333 ]    mass: 1.007940    reduced_to: 64  - symbol: O  # 73    coordinates: [  0.071686630000000,  0.083333333333333,  0.056001246666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.071686630000000,  0.416666666666667,  0.056001246666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.071686630000000,  0.750000000000000,  0.056001246666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.071686630000000,  0.083333333333333,  0.389334580000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.071686630000000,  0.416666666666667,  0.389334580000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.071686630000000,  0.750000000000000,  0.389334580000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.071686630000000,  0.083333333333333,  0.722667913333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 80    coordinates: [  0.071686630000000,  0.416666666666667,  0.722667913333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 81    coordinates: [  0.071686630000000,  0.750000000000000,  0.722667913333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 82    coordinates: [  0.314325380000000,  0.250000000000000,  0.045154466666667 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 83    coordinates: [  0.314325380000000,  0.583333333333333,  0.045154466666667 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 84    coordinates: [  0.314325380000000,  0.916666666666667,  0.045154466666667 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 85    coordinates: [  0.314325380000000,  0.250000000000000,  0.378487800000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 86    coordinates: [  0.314325380000000,  0.583333333333333,  0.378487800000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 87    coordinates: [  0.314325380000000,  0.916666666666667,  0.378487800000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 88    coordinates: [  0.314325380000000,  0.250000000000000,  0.711821133333333 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 89    coordinates: [  0.314325380000000,  0.583333333333333,  0.711821133333333 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 90    coordinates: [  0.314325380000000,  0.916666666666667,  0.711821133333333 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 91    coordinates: [  0.814325380000000,  0.250000000000000,  0.121512200000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 92    coordinates: [  0.814325380000000,  0.583333333333333,  0.121512200000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 93    coordinates: [  0.814325380000000,  0.916666666666667,  0.121512200000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 94    coordinates: [  0.814325380000000,  0.250000000000000,  0.454845533333333 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 95    coordinates: [  0.814325380000000,  0.583333333333333,  0.454845533333333 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 96    coordinates: [  0.814325380000000,  0.916666666666667,  0.454845533333333 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 97    coordinates: [  0.814325380000000,  0.250000000000000,  0.788178866666667 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 98    coordinates: [  0.814325380000000,  0.583333333333333,  0.788178866666667 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 99    coordinates: [  0.814325380000000,  0.916666666666667,  0.788178866666667 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 100    coordinates: [  0.571686630000000,  0.083333333333333,  0.110665420000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 101    coordinates: [  0.571686630000000,  0.416666666666667,  0.110665420000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 102    coordinates: [  0.571686630000000,  0.750000000000000,  0.110665420000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 103    coordinates: [  0.571686630000000,  0.083333333333333,  0.443998753333333 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 104    coordinates: [  0.571686630000000,  0.416666666666667,  0.443998753333333 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 105    coordinates: [  0.571686630000000,  0.750000000000000,  0.443998753333333 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 106    coordinates: [  0.571686630000000,  0.083333333333333,  0.777332086666667 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 107    coordinates: [  0.571686630000000,  0.416666666666667,  0.777332086666667 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 108    coordinates: [  0.571686630000000,  0.750000000000000,  0.777332086666667 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 109    coordinates: [  0.428313370000000,  0.250000000000000,  0.222667913333333 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 110    coordinates: [  0.428313370000000,  0.583333333333333,  0.222667913333333 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 111    coordinates: [  0.428313370000000,  0.916666666666667,  0.222667913333333 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 112    coordinates: [  0.428313370000000,  0.250000000000000,  0.556001246666667 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 113    coordinates: [  0.428313370000000,  0.583333333333333,  0.556001246666667 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 114    coordinates: [  0.428313370000000,  0.916666666666667,  0.556001246666667 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 115    coordinates: [  0.428313370000000,  0.250000000000000,  0.889334580000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 116    coordinates: [  0.428313370000000,  0.583333333333333,  0.889334580000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 117    coordinates: [  0.428313370000000,  0.916666666666667,  0.889334580000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 118    coordinates: [  0.185674620000000,  0.083333333333333,  0.211821133333333 ]    mass: 15.999400    reduced_to: 118  - symbol: O  # 119    coordinates: [  0.185674620000000,  0.416666666666667,  0.211821133333333 ]    mass: 15.999400    reduced_to: 118  - symbol: O  # 120    coordinates: [  0.185674620000000,  0.750000000000000,  0.211821133333333 ]    mass: 15.999400    reduced_to: 118  - symbol: O  # 121    coordinates: [  0.185674620000000,  0.083333333333333,  0.545154466666667 ]    mass: 15.999400    reduced_to: 118  - symbol: O  # 122    coordinates: [  0.185674620000000,  0.416666666666667,  0.545154466666667 ]    mass: 15.999400    reduced_to: 118  - symbol: O  # 123    coordinates: [  0.185674620000000,  0.750000000000000,  0.545154466666667 ]    mass: 15.999400    reduced_to: 118  - symbol: O  # 124    coordinates: [  0.185674620000000,  0.083333333333333,  0.878487800000000 ]    mass: 15.999400    reduced_to: 118  - symbol: O  # 125    coordinates: [  0.185674620000000,  0.416666666666667,  0.878487800000000 ]    mass: 15.999400    reduced_to: 118  - symbol: O  # 126    coordinates: [  0.185674620000000,  0.750000000000000,  0.878487800000000 ]    mass: 15.999400    reduced_to: 118  - symbol: O  # 127    coordinates: [  0.685674620000000,  0.083333333333333,  0.288178866666667 ]    mass: 15.999400    reduced_to: 127  - symbol: O  # 128    coordinates: [  0.685674620000000,  0.416666666666667,  0.288178866666667 ]    mass: 15.999400    reduced_to: 127  - symbol: O  # 129    coordinates: [  0.685674620000000,  0.750000000000000,  0.288178866666667 ]    mass: 15.999400    reduced_to: 127  - symbol: O  # 130    coordinates: [  0.685674620000000,  0.083333333333333,  0.621512200000000 ]    mass: 15.999400    reduced_to: 127  - symbol: O  # 131    coordinates: [  0.685674620000000,  0.416666666666667,  0.621512200000000 ]    mass: 15.999400    reduced_to: 127  - symbol: O  # 132    coordinates: [  0.685674620000000,  0.750000000000000,  0.621512200000000 ]    mass: 15.999400    reduced_to: 127  - symbol: O  # 133    coordinates: [  0.685674620000000,  0.083333333333333,  0.954845533333333 ]    mass: 15.999400    reduced_to: 127  - symbol: O  # 134    coordinates: [  0.685674620000000,  0.416666666666667,  0.954845533333333 ]    mass: 15.999400    reduced_to: 127  - symbol: O  # 135    coordinates: [  0.685674620000000,  0.750000000000000,  0.954845533333333 ]    mass: 15.999400    reduced_to: 127  - symbol: O  # 136    coordinates: [  0.928313370000000,  0.250000000000000,  0.277332086666667 ]    mass: 15.999400    reduced_to: 136  - symbol: O  # 137    coordinates: [  0.928313370000000,  0.583333333333333,  0.277332086666667 ]    mass: 15.999400    reduced_to: 136  - symbol: O  # 138    coordinates: [  0.928313370000000,  0.916666666666667,  0.277332086666667 ]    mass: 15.999400    reduced_to: 136  - symbol: O  # 139    coordinates: [  0.928313370000000,  0.250000000000000,  0.610665420000000 ]    mass: 15.999400    reduced_to: 136  - symbol: O  # 140    coordinates: [  0.928313370000000,  0.583333333333333,  0.610665420000000 ]    mass: 15.999400    reduced_to: 136  - symbol: O  # 141    coordinates: [  0.928313370000000,  0.916666666666667,  0.610665420000000 ]    mass: 15.999400    reduced_to: 136  - symbol: O  # 142    coordinates: [  0.928313370000000,  0.250000000000000,  0.943998753333333 ]    mass: 15.999400    reduced_to: 136  - symbol: O  # 143    coordinates: [  0.928313370000000,  0.583333333333333,  0.943998753333333 ]    mass: 15.999400    reduced_to: 136  - symbol: O  # 144    coordinates: [  0.928313370000000,  0.916666666666667,  0.943998753333333 ]    mass: 15.999400    reduced_to: 136born_effective_charge:- # 1 (Dy)  - [  3.688281170000000,  0.000000000000000, -0.083640330000000 ]  - [  0.000000000000000,  4.137506110000000,  0.000000000000000 ]  - [  0.018246740000000,  0.000000000000000,  3.275082810000000 ]- # 2 (Dy)  - [  3.688281170000000,  0.000000000000000,  0.083640330000000 ]  - [  0.000000000000000,  4.137506110000000,  0.000000000000000 ]  - [ -0.018246740000000,  0.000000000000000,  3.275082810000000 ]- # 3 (Dy)  - [  3.688281170000000,  0.000000000000000,  0.083640330000000 ]  - [  0.000000000000000,  4.137506110000000,  0.000000000000000 ]  - [ -0.018246740000000,  0.000000000000000,  3.275082810000000 ]- # 4 (Dy)  - [  3.688281170000000,  0.000000000000000, -0.083640330000000 ]  - [  0.000000000000000,  4.137506110000000,  0.000000000000000 ]  - [  0.018246740000000,  0.000000000000000,  3.275082810000000 ]- # 5 (H)  - [  0.565578750000000,  0.000000000000000, -0.628053040000000 ]  - [  0.000000000000000,  0.229362100000000,  0.000000000000000 ]  - [ -0.627471780000000,  0.000000000000000,  1.437326840000000 ]- # 6 (H)  - [  0.565578750000000,  0.000000000000000,  0.628053040000000 ]  - [  0.000000000000000,  0.229362100000000,  0.000000000000000 ]  - [  0.627471780000000,  0.000000000000000,  1.437326840000000 ]- # 7 (H)  - [  0.565578750000000,  0.000000000000000,  0.628053040000000 ]  - [  0.000000000000000,  0.229362100000000,  0.000000000000000 ]  - [  0.627471780000000,  0.000000000000000,  1.437326840000000 ]- # 8 (H)  - [  0.565578750000000,  0.000000000000000, -0.628053040000000 ]  - [  0.000000000000000,  0.229362100000000,  0.000000000000000 ]  - [ -0.627471780000000,  0.000000000000000,  1.437326840000000 ]- # 9 (O)  - [ -2.227850790000000,  0.000000000000000, -0.208552210000000 ]  - [  0.000000000000000, -1.810018950000000,  0.000000000000000 ]  - [ -0.230854740000000,  0.000000000000000, -2.096275430000000 ]- # 10 (O)  - [ -2.026009130000000,  0.000000000000000, -0.470845360000000 ]  - [  0.000000000000000, -2.556849250000000,  0.000000000000000 ]  - [ -0.489055530000000,  0.000000000000000, -2.616134220000000 ]- # 11 (O)  - [ -2.026009130000000,  0.000000000000000,  0.470845360000000 ]  - [  0.000000000000000, -2.556849250000000,  0.000000000000000 ]  - [  0.489055530000000,  0.000000000000000, -2.616134220000000 ]- # 12 (O)  - [ -2.227850790000000,  0.000000000000000,  0.208552210000000 ]  - [  0.000000000000000, -1.810018950000000,  0.000000000000000 ]  - [  0.230854740000000,  0.000000000000000, -2.096275430000000 ]- # 13 (O)  - [ -2.227850790000000,  0.000000000000000,  0.208552210000000 ]  - [  0.000000000000000, -1.810018950000000,  0.000000000000000 ]  - [  0.230854740000000,  0.000000000000000, -2.096275430000000 ]- # 14 (O)  - [ -2.026009130000000,  0.000000000000000,  0.470845360000000 ]  - [  0.000000000000000, -2.556849250000000,  0.000000000000000 ]  - [  0.489055530000000,  0.000000000000000, -2.616134220000000 ]- # 15 (O)  - [ -2.026009130000000,  0.000000000000000, -0.470845360000000 ]  - [  0.000000000000000, -2.556849250000000,  0.000000000000000 ]  - [ -0.489055530000000,  0.000000000000000, -2.616134220000000 ]- # 16 (O)  - [ -2.227850790000000,  0.000000000000000, -0.208552210000000 ]  - [  0.000000000000000, -1.810018950000000,  0.000000000000000 ]  - [ -0.230854740000000,  0.000000000000000, -2.096275430000000 ]dielectric_constant:  - [  3.563711600000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.703813810000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.562736220000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1472660900000000,  0.0000000000000000, -0.0043250800000000 ]  - [  -0.0105407800000000,  0.0008546900000000,  0.0031979900000000 ]  - [  -0.0105407800000000, -0.0008546900000000,  0.0031979900000000 ]  - [  -0.0029179100000000,  0.0000000000000000, -0.0003578200000000 ]  - [  -0.0017639800000000,  0.0000351500000000, -0.0002810600000000 ]  - [  -0.0017639800000000, -0.0000351500000000, -0.0002810600000000 ]  - [  -0.0029169900000000,  0.0000000000000000,  0.0003446400000000 ]  - [  -0.0017637600000000, -0.0000214100000000, -0.0000615200000000 ]  - [  -0.0017637600000000,  0.0000214100000000, -0.0000615200000000 ]  - [   0.0166818400000000,  0.0000000000000000, -0.0001784700000000 ]  - [   0.0032284900000000,  0.0005327500000000,  0.0008333400000000 ]  - [   0.0032284900000000, -0.0005327500000000,  0.0008333400000000 ]  - [   0.0006945800000000,  0.0000000000000000,  0.0003552900000000 ]  - [   0.0003501600000000,  0.0000855100000000,  0.0001572800000000 ]  - [   0.0003501600000000, -0.0000855100000000,  0.0001572800000000 ]  - [   0.0058504300000000,  0.0000000000000000, -0.0009919100000000 ]  - [   0.0031684100000000, -0.0004728300000000, -0.0008448500000000 ]  - [   0.0031684100000000,  0.0004728300000000, -0.0008448500000000 ]  - 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[   0.0006039400000000,  0.0000000000000000,  0.0019850200000000 ]  - [   0.0003051900000000, -0.0000844700000000,  0.0009002400000000 ]  - [   0.0003051900000000,  0.0000844700000000,  0.0009002400000000 ]  - [  -0.0067921100000000, -0.0015287700000000, -0.0011431400000000 ]  - [  -0.0016772100000000,  0.0000000000000000, -0.0003192000000000 ]  - [  -0.0067921100000000,  0.0015287700000000, -0.0011431400000000 ]  - [  -0.0011786900000000, -0.0002764600000000, -0.0004736600000000 ]  - [  -0.0005415000000000,  0.0000000000000000, -0.0003118400000000 ]  - [  -0.0011786900000000,  0.0002764600000000, -0.0004736600000000 ]  - [  -0.0008746700000000, -0.0000980000000000,  0.0001512500000000 ]  - [  -0.0007740300000000,  0.0000000000000000,  0.0001150500000000 ]  - [  -0.0008746700000000,  0.0000980000000000,  0.0001512500000000 ]  - [   0.0140698900000000, -0.0070163900000000, -0.0062131700000000 ]  - [   0.0012787100000000,  0.0000000000000000, -0.0006510100000000 ]  - [   0.0140698900000000,  0.0070163900000000, -0.0062131700000000 ]  - [   0.0002035100000000,  0.0001236400000000,  0.0002495700000000 ]  - [   0.0001821000000000,  0.0000000000000000,  0.0001677800000000 ]  - [   0.0002035100000000, -0.0001236400000000,  0.0002495700000000 ]  - [   0.0054593900000000,  0.0010542900000000,  0.0009180500000000 ]  - [   0.0010671600000000,  0.0000000000000000,  0.0000343200000000 ]  - [   0.0054593900000000, -0.0010542900000000,  0.0009180500000000 ]  - [  -0.0160504900000000,  0.0000000000000000,  0.0101761700000000 ]  - [  -0.0018541900000000,  0.0014623200000000,  0.0007321600000000 ]  - [  -0.0018541900000000, -0.0014623200000000,  0.0007321600000000 ]  - [  -0.0010629100000000,  0.0000000000000000,  0.0010956800000000 ]  - [  -0.0007580000000000,  0.0000447900000000,  0.0005179600000000 ]  - [  -0.0007580000000000, -0.0000447900000000,  0.0005179600000000 ]  - [  -0.0026697700000000,  0.0000000000000000, -0.0035709800000000 ]  - [  -0.0019166400000000,  0.0019555400000000, -0.0019253900000000 ]  - [  -0.0019166400000000, -0.0019555400000000, -0.0019253900000000 ]  - [  -0.0026258700000000,  0.0004180700000000,  0.0006062000000000 ]  - [  -0.0008656200000000,  0.0000000000000000, -0.0002670600000000 ]  - [  -0.0026258700000000, -0.0004180700000000,  0.0006062000000000 ]  - [  -0.0001767300000000,  0.0000106500000000, -0.0001043200000000 ]  - [  -0.0001155900000000,  0.0000000000000000, -0.0001538000000000 ]  - [  -0.0001767300000000, -0.0000106500000000, -0.0001043200000000 ]  - [  -0.0041090300000000,  0.0008704400000000,  0.0002921200000000 ]  - [  -0.0013660400000000,  0.0000000000000000,  0.0002748200000000 ]  - [  -0.0041090300000000, -0.0008704400000000,  0.0002921200000000 ]  - [  -0.0078826300000000,  0.0000000000000000, -0.0091650800000000 ]  - [  -0.0008222700000000, -0.0007710500000000, -0.0010058100000000 ]  - [  -0.0008222700000000,  0.0007710500000000, -0.0010058100000000 ]  - [  -0.0001506100000000,  0.0000000000000000,  0.0000239800000000 ]  - [  -0.0000540400000000, -0.0000726500000000,  0.0000272600000000 ]  - [  -0.0000540400000000,  0.0000726500000000,  0.0000272600000000 ]  - 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