# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/755d2ea3-7bd4-4f84-8142-0bfff944a91a/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 Y2Ge2O7 / C2/m (12) / materials id 769466](https://mdr.nims.go.jp/datasets/38b3ad2c-0e1d-4aaf-b882-ebed34deeecd)

## 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: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.481250635000000,    -4.558017000000000,     0.004554895000000 ] # a  - [     3.481250635000000,     4.558017000000000,     0.004554895000000 ] # b  - [    -1.043270460000000,     0.000000000000000,     4.845951230000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.305861230000000,  0.694138770000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.694138770000000,  0.305861230000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Ge # 3    coordinates: [  0.230334590000000,  0.230334590000000,  0.409433700000000 ]    mass: 72.640000  - symbol: Ge # 4    coordinates: [  0.769665410000000,  0.769665410000000,  0.590566300000000 ]    mass: 72.640000  - symbol: O  # 5    coordinates: [  0.399174820000000,  0.080969560000000,  0.212169260000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.080969560000000,  0.399174820000000,  0.212169260000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.400584690000000,  0.400584690000000,  0.724896300000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.599415310000000,  0.599415310000000,  0.275103700000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.600825180000000,  0.919030440000000,  0.787830740000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.919030440000000,  0.600825180000000,  0.787830740000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.143586098925117,    -0.109696826492749,     0.030912225147427 ] # a*  - [     0.143586098925117,     0.109696826492749,     0.030912225147427 ] # b*  - [    -0.000269924137913,    -0.000000000000000,     0.206299722938085 ] # c*unit_cell:  lattice:  - [     6.962501270000000,     0.000000000000000,     0.009109790000000 ] # a  - [     0.000000000000000,     9.116034000000001,     0.000000000000000 ] # b  - [    -1.043270460000000,     0.000000000000000,     4.845951230000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.500000000000000,  0.194138770000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.500000000000000,  0.805861230000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.000000000000000,  0.694138770000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.305861230000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Ge # 5    coordinates: [  0.230334590000000,  0.000000000000000,  0.409433700000000 ]    mass: 72.640000    reduced_to: 5  - symbol: Ge # 6    coordinates: [  0.769665410000000,  0.000000000000000,  0.590566300000000 ]    mass: 72.640000    reduced_to: 6  - symbol: Ge # 7    coordinates: [  0.730334590000000,  0.500000000000000,  0.409433700000000 ]    mass: 72.640000    reduced_to: 5  - symbol: Ge # 8    coordinates: [  0.269665410000000,  0.500000000000000,  0.590566300000000 ]    mass: 72.640000    reduced_to: 6  - symbol: O  # 9    coordinates: [  0.240072190000000,  0.840897370000000,  0.212169260000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.240072190000000,  0.159102630000000,  0.212169260000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.400584690000000,  0.000000000000000,  0.724896300000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.599415310000000,  0.000000000000000,  0.275103700000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.759927810000000,  0.159102630000000,  0.787830740000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.759927810000000,  0.840897370000000,  0.787830740000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.740072190000000,  0.340897370000000,  0.212169260000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 17    coordinates: [  0.740072190000000,  0.659102630000000,  0.212169260000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 18    coordinates: [  0.900584690000000,  0.500000000000000,  0.724896300000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 20    coordinates: [  0.099415310000000,  0.500000000000000,  0.275103700000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 21    coordinates: [  0.259927810000000,  0.659102630000000,  0.787830740000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 22    coordinates: [  0.259927810000000,  0.340897370000000,  0.787830740000000 ]    mass: 15.999400    reduced_to: 15supercell:  lattice:  - [    13.925002539999999,     0.000000000000000,     0.018219580000000 ] # a  - [     0.000000000000000,     9.116034000000001,     0.000000000000000 ] # b  - [    -2.086540920000000,     0.000000000000000,     9.691902460000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.250000000000000,  0.194138770000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.750000000000000,  0.194138770000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 3    coordinates: [  0.250000000000000,  0.194138770000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 4    coordinates: [  0.750000000000000,  0.194138770000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 5    coordinates: [  0.250000000000000,  0.805861230000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.750000000000000,  0.805861230000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 7    coordinates: [  0.250000000000000,  0.805861230000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 8    coordinates: [  0.750000000000000,  0.805861230000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 9    coordinates: [  0.000000000000000,  0.694138770000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 10    coordinates: [  0.500000000000000,  0.694138770000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 11    coordinates: [  0.000000000000000,  0.694138770000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 12    coordinates: [  0.500000000000000,  0.694138770000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 13    coordinates: [  0.000000000000000,  0.305861230000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 14    coordinates: [  0.500000000000000,  0.305861230000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 15    coordinates: [  0.000000000000000,  0.305861230000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 16    coordinates: [  0.500000000000000,  0.305861230000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Ge # 17    coordinates: [  0.115167295000000,  0.000000000000000,  0.204716850000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.615167295000000,  0.000000000000000,  0.204716850000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 19    coordinates: [  0.115167295000000,  0.000000000000000,  0.704716850000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 20    coordinates: [  0.615167295000000,  0.000000000000000,  0.704716850000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 21    coordinates: [  0.384832705000000,  0.000000000000000,  0.295283150000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.884832705000000,  0.000000000000000,  0.295283150000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 23    coordinates: [  0.384832705000000,  0.000000000000000,  0.795283150000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 24    coordinates: [  0.884832705000000,  0.000000000000000,  0.795283150000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 25    coordinates: [  0.365167295000000,  0.500000000000000,  0.204716850000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 26    coordinates: [  0.865167295000000,  0.500000000000000,  0.204716850000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 27    coordinates: [  0.365167295000000,  0.500000000000000,  0.704716850000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 28    coordinates: [  0.865167295000000,  0.500000000000000,  0.704716850000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 29    coordinates: [  0.134832705000000,  0.500000000000000,  0.295283150000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 30    coordinates: [  0.634832705000000,  0.500000000000000,  0.295283150000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 31    coordinates: [  0.134832705000000,  0.500000000000000,  0.795283150000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 32    coordinates: [  0.634832705000000,  0.500000000000000,  0.795283150000000 ]    mass: 72.640000    reduced_to: 21  - symbol: O  # 33    coordinates: [  0.120036095000000,  0.840897370000000,  0.106084630000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.620036095000000,  0.840897370000000,  0.106084630000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.120036095000000,  0.840897370000000,  0.606084630000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.620036095000000,  0.840897370000000,  0.606084630000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.120036095000000,  0.159102630000000,  0.106084630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.620036095000000,  0.159102630000000,  0.106084630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.120036095000000,  0.159102630000000,  0.606084630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.620036095000000,  0.159102630000000,  0.606084630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.200292345000000,  0.000000000000000,  0.362448150000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.700292345000000,  0.000000000000000,  0.362448150000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.200292345000000,  0.000000000000000,  0.862448150000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 44    coordinates: [  0.700292345000000,  0.000000000000000,  0.862448150000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 45    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 48    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 49    coordinates: [  0.299707655000000,  0.000000000000000,  0.137551850000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.799707655000000,  0.000000000000000,  0.137551850000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.299707655000000,  0.000000000000000,  0.637551850000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.799707655000000,  0.000000000000000,  0.637551850000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.379963905000000,  0.159102630000000,  0.393915370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.879963905000000,  0.159102630000000,  0.393915370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.379963905000000,  0.159102630000000,  0.893915370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 56    coordinates: [  0.879963905000000,  0.159102630000000,  0.893915370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 57    coordinates: [  0.379963905000000,  0.840897370000000,  0.393915370000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.879963905000000,  0.840897370000000,  0.393915370000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.379963905000000,  0.840897370000000,  0.893915370000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 60    coordinates: [  0.879963905000000,  0.840897370000000,  0.893915370000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 61    coordinates: [  0.370036095000000,  0.340897370000000,  0.106084630000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 62    coordinates: [  0.870036095000000,  0.340897370000000,  0.106084630000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 63    coordinates: [  0.370036095000000,  0.340897370000000,  0.606084630000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 64    coordinates: [  0.870036095000000,  0.340897370000000,  0.606084630000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 65    coordinates: [  0.370036095000000,  0.659102630000000,  0.106084630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 66    coordinates: [  0.870036095000000,  0.659102630000000,  0.106084630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 67    coordinates: [  0.370036095000000,  0.659102630000000,  0.606084630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 68    coordinates: [  0.870036095000000,  0.659102630000000,  0.606084630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 69    coordinates: [  0.450292345000000,  0.500000000000000,  0.362448150000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 70    coordinates: [  0.950292345000000,  0.500000000000000,  0.362448150000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 71    coordinates: [  0.450292345000000,  0.500000000000000,  0.862448150000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 72    coordinates: [  0.950292345000000,  0.500000000000000,  0.862448150000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 73    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 74    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 75    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 76    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 77    coordinates: [  0.049707655000000,  0.500000000000000,  0.137551850000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 78    coordinates: [  0.549707655000000,  0.500000000000000,  0.137551850000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 79    coordinates: [  0.049707655000000,  0.500000000000000,  0.637551850000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 80    coordinates: [  0.549707655000000,  0.500000000000000,  0.637551850000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 81    coordinates: [  0.129963905000000,  0.659102630000000,  0.393915370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 82    coordinates: [  0.629963905000000,  0.659102630000000,  0.393915370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 83    coordinates: [  0.129963905000000,  0.659102630000000,  0.893915370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 84    coordinates: [  0.629963905000000,  0.659102630000000,  0.893915370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 85    coordinates: [  0.129963905000000,  0.340897370000000,  0.393915370000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 86    coordinates: [  0.629963905000000,  0.340897370000000,  0.393915370000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 87    coordinates: [  0.129963905000000,  0.340897370000000,  0.893915370000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 88    coordinates: [  0.629963905000000,  0.340897370000000,  0.893915370000000 ]    mass: 15.999400    reduced_to: 57born_effective_charge:- # 1 (Y)  - [  4.020930910000000, -0.000000000000000,  0.129778760000000 ]  - [  0.000000000000000,  3.884985680000000,  0.000000000000000 ]  - [  0.166258320000000, -0.000000000000000,  3.396721870000000 ]- # 2 (Y)  - [  4.020930910000000, -0.000000000000000,  0.129778760000000 ]  - [  0.000000000000000,  3.884985680000000,  0.000000000000000 ]  - [  0.166258320000000, -0.000000000000000,  3.396721870000000 ]- # 3 (Ge)  - [  3.898894030000001, -0.000000000000000, -0.112694630000000 ]  - [  0.000000000000000,  3.266724060000000, -0.000000000000000 ]  - [ -0.142979390000000,  0.000000000000000,  3.599972580000000 ]- # 4 (Ge)  - [  3.898894030000001, -0.000000000000000, -0.112694630000000 ]  - [  0.000000000000000,  3.266724060000000, -0.000000000000000 ]  - [ -0.142979390000000,  0.000000000000000,  3.599972580000000 ]- # 5 (O)  - [ -2.211037800000000, -0.141507120000000,  0.153333680000000 ]  - [ -0.272599990000000, -2.226897530000000, -0.796860840000000 ]  - [  0.092876080000000, -0.742615940000000, -1.837245220000000 ]- # 6 (O)  - [ -2.211037800000000,  0.141507120000000,  0.153333680000000 ]  - [  0.272599990000000, -2.226897530000000,  0.796860840000000 ]  - [  0.092876080000000,  0.742615940000000, -1.837245220000000 ]- # 7 (O)  - [ -1.731539910000000, -0.000000000000000, -0.642025770000000 ]  - [  0.000000000000000, -2.096428450000000, -0.000000000000000 ]  - [ -0.520412740000000,  0.000000000000000, -2.619981590000000 ]- # 8 (O)  - [ -3.532418880000000,  0.000000000000000,  0.636548580000000 ]  - [ -0.000000000000000, -1.202972490000000,  0.000000000000000 ]  - [  0.622763300000000, -0.000000000000000, -1.404444870000000 ]- # 9 (O)  - [ -1.731539910000000, -0.000000000000000, -0.642025770000000 ]  - [  0.000000000000000, -2.096428450000000, -0.000000000000000 ]  - [ -0.520412740000000,  0.000000000000000, -2.619981590000000 ]- # 10 (O)  - [ -2.211037800000000, -0.141507120000000,  0.153333680000000 ]  - [ -0.272599990000000, -2.226897530000000, -0.796860840000000 ]  - [  0.092876080000000, -0.742615940000000, -1.837245220000000 ]- # 11 (O)  - [ -2.211037800000000,  0.141507120000000,  0.153333680000000 ]  - [  0.272599990000000, -2.226897530000000,  0.796860840000000 ]  - [  0.092876080000000,  0.742615940000000, -1.837245220000000 ]dielectric_constant:  - [  3.626447830000000,  0.000000000000000,  0.029763710000000 ]  - [  0.000000000000000,  3.513652130000000,  0.000000000000000 ]  - [  0.029761210000000,  0.000000000000000,  3.432754130000000 ]displacements:- atom:    1  displacement:    [   0.0099999914403580,  0.0000000000000000,  0.0000130840654085 ]  forces:  - [  -0.1682697700000000, -0.0007214700000000, -0.0138231400000000 ]  - [   0.0089921700000000, -0.0000227000000000,  0.0008103800000000 ]  - [  -0.0099749000000000, -0.0000229600000000, -0.0061096100000000 ]  - [   0.0056005400000000, -0.0000225200000000,  0.0018181300000000 ]  - [  -0.0186418500000000,  0.0001030100000000, -0.0062154300000000 ]  - [   0.0062457000000000,  0.0000198700000000,  0.0009080600000000 ]  - [  -0.0076338500000000,  0.0000229200000000, -0.0028759500000000 ]  - [   0.0053276100000000,  0.0000216700000000,  0.0014848500000000 ]  - [   0.0038396900000000, -0.0005556400000000,  0.0004446500000000 ]  - [   0.0038234400000000,  0.0005222900000000,  0.0004604000000000 ]  - [   0.0009640500000000, -0.0007487800000000,  0.0011482600000000 ]  - [   0.0009457800000000,  0.0007166400000000,  0.0011311900000000 ]  - [   0.0299287000000000, -0.0127222900000000,  0.0023716700000000 ]  - [   0.0302709200000000,  0.0129200700000000,  0.0023833100000000 ]  - [   0.0020669700000000,  0.0002812500000000,  0.0019732900000000 ]  - [   0.0020519900000000, -0.0002468300000000,  0.0019593400000000 ]  - [   0.0019530700000000,  0.0236220200000000, -0.0196086500000000 ]  - [   0.0054855500000000, -0.0020096900000000,  0.0028768000000000 ]  - [  -0.0023360200000000,  0.0042860300000000,  0.0096316000000000 ]  - [   0.0070949100000000,  0.0000346600000000,  0.0000359900000000 ]  - [  -0.0017615600000000, -0.0043127900000000,  0.0093332900000000 ]  - [   0.0077895300000000, -0.0000380600000000, -0.0001370500000000 ]  - [   0.0026721600000000, -0.0237835900000000, -0.0199340100000000 ]  - [   0.0061981700000000,  0.0019931700000000,  0.0026668800000000 ]  - [  -0.0094708700000000,  0.0170097800000000,  0.0121997600000000 ]  - [   0.0047827900000000, -0.0011907200000000, -0.0009908500000000 ]  - [  -0.0066813300000000,  0.0035048500000000, -0.0043732800000000 ]  - 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[   0.0119603200000000, -0.0000752100000000, -0.0016082100000000 ]  - [  -0.0050663700000000,  0.0001059200000000,  0.0005150100000000 ]  - [   0.0119499100000000,  0.0000767500000000, -0.0016071100000000 ]  - [  -0.0050693300000000, -0.0001081000000000,  0.0005190100000000 ]  - [  -0.0007378700000000,  0.0039899700000000,  0.0033094000000000 ]  - [  -0.0041760500000000, -0.0033203800000000, -0.0040492900000000 ]  - [  -0.0013454200000000,  0.0027876200000000, -0.0051728800000000 ]  - [  -0.0019178600000000, -0.0003660000000000, -0.0009708700000000 ]  - [   0.0026815700000000,  0.0006513000000000,  0.0012702300000000 ]  - [  -0.0020441400000000, -0.0005026400000000, -0.0006434900000000 ]  - [   0.0030257900000000,  0.0062309700000000,  0.0012549400000000 ]  - [  -0.0027187600000000, -0.0003361300000000,  0.0004759500000000 ]  - [   0.0022845600000000,  0.0008317000000000,  0.0028875400000000 ]  - [  -0.0023548000000000,  0.0001362400000000, -0.0007680300000000 ]  - [   0.0284700700000000, -0.0136992600000000,  0.0118777600000000 ]  - [  -0.0052410700000000, -0.0009540900000000,  0.0015271700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.1587843400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0013907200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0064844800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0016457200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0404829400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0009231500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0060141200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0014300300000000,  0.0000000000000000 ]  - [   0.0005202800000000,  0.0061899700000000,  0.0010685300000000 ]  - [  -0.0005202800000000,  0.0061899700000000, -0.0010685300000000 ]  - [   0.0007262200000000,  0.0042385600000000,  0.0000998700000000 ]  - [  -0.0007262200000000,  0.0042385600000000, -0.0000998700000000 ]  - [  -0.0127964500000000, -0.0065923200000000,  0.0048752100000000 ]  - [   0.0127964500000000, -0.0065923200000000, -0.0048752100000000 ]  - [   0.0002614800000000, -0.0038160000000000, -0.0012784500000000 ]  - [  -0.0002614800000000, -0.0038160000000000,  0.0012784500000000 ]  - [   0.0132563000000000, -0.0005638300000000, -0.0057963000000000 ]  - [  -0.0049487400000000, -0.0008865800000000,  0.0016420700000000 ]  - [   0.0118823000000000, -0.0003513500000000,  0.0217833000000000 ]  - [  -0.0016666300000000, -0.0000543600000000,  0.0001016100000000 ]  - [  -0.0118823000000000, -0.0003513500000000, -0.0217833000000000 ]  - [   0.0016666300000000, -0.0000543600000000, -0.0001016100000000 ]  - [  -0.0132563000000000, -0.0005638300000000,  0.0057963000000000 ]  - [   0.0049487400000000, -0.0008865800000000, -0.0016420700000000 ]  - [   0.0058634600000000,  0.0228509700000000,  0.0139713200000000 ]  - [  -0.0008556100000000,  0.0006277200000000,  0.0004517400000000 ]  - [   0.0068883300000000,  0.0011221100000000, -0.0045492300000000 ]  - 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[  -0.0013797900000000, -0.0002267100000000,  0.0009678500000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.1602199100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0013579000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0064463900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0016101200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0409434300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0008807500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0059614500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0013937700000000,  0.0000000000000000 ]  - [  -0.0005558200000000, -0.0062432600000000, -0.0010738300000000 ]  - [   0.0005558200000000, -0.0062432600000000,  0.0010738300000000 ]  - [  -0.0007371700000000, -0.0042804600000000, -0.0001046400000000 ]  - [   0.0007371700000000, -0.0042804600000000,  0.0001046400000000 ]  - 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