# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2c685ff8-40f0-4be8-bc4f-b29f42814535/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 Dy2Be2GeO7 / P-42_1m (113) / materials id 20778](https://mdr.nims.go.jp/datasets/c36347e6-ea67-4720-93c5-23f133862813)

## 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: "P-42_1m"  number: 113  Hall_symbol: "P -4 2ab"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.366167090000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.366167090000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.767320940000000 ] # c  points:  - symbol: Be # 1    coordinates: [  0.364248330000000,  0.864248330000000,  0.048290620000000 ]    mass: 9.012182  - symbol: Be # 2    coordinates: [  0.135751670000000,  0.364248330000000,  0.951709380000000 ]    mass: 9.012182  - symbol: Be # 3    coordinates: [  0.635751670000000,  0.135751670000000,  0.048290620000000 ]    mass: 9.012182  - symbol: Be # 4    coordinates: [  0.864248330000000,  0.635751670000000,  0.951709380000000 ]    mass: 9.012182  - symbol: O  # 5    coordinates: [  0.328471670000000,  0.418648790000000,  0.780547500000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.418648790000000,  0.671528330000000,  0.219452500000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.828471670000000,  0.081351210000000,  0.219452500000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.171528330000000,  0.918648790000000,  0.219452500000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.918648790000000,  0.828471670000000,  0.780547500000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.081351210000000,  0.171528330000000,  0.780547500000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.812852500000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.187147500000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.857859010000000,  0.642140990000000,  0.283926260000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.642140990000000,  0.142140990000000,  0.716073740000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.357859010000000,  0.857859010000000,  0.716073740000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.142140990000000,  0.357859010000000,  0.283926260000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.671528330000000,  0.581351210000000,  0.780547500000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.581351210000000,  0.328471670000000,  0.219452500000000 ]    mass: 15.999400  - symbol: Ge # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Dy # 21    coordinates: [  0.342177770000000,  0.157822230000000,  0.505533540000000 ]    mass: 162.500000  - symbol: Dy # 22    coordinates: [  0.157822230000000,  0.657822230000000,  0.494466460000000 ]    mass: 162.500000  - symbol: Dy # 23    coordinates: [  0.842177770000000,  0.342177770000000,  0.494466460000000 ]    mass: 162.500000  - symbol: Dy # 24    coordinates: [  0.657822230000000,  0.842177770000000,  0.505533540000000 ]    mass: 162.500000  reciprocal_lattice: # without 2pi  - [     0.135755812728924,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.135755812728924,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.209761417908650 ] # c*unit_cell:  lattice:  - [     7.366167090000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.366167090000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.767320940000000 ] # c  points:  - symbol: Be # 1    coordinates: [  0.364248330000000,  0.864248330000000,  0.048290620000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 2    coordinates: [  0.135751670000000,  0.364248330000000,  0.951709380000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 3    coordinates: [  0.635751670000000,  0.135751670000000,  0.048290620000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 4    coordinates: [  0.864248330000000,  0.635751670000000,  0.951709380000000 ]    mass: 9.012182    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.328471670000000,  0.418648790000000,  0.780547500000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.418648790000000,  0.671528330000000,  0.219452500000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.828471670000000,  0.081351210000000,  0.219452500000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.171528330000000,  0.918648790000000,  0.219452500000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.918648790000000,  0.828471670000000,  0.780547500000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.081351210000000,  0.171528330000000,  0.780547500000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.812852500000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.187147500000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.857859010000000,  0.642140990000000,  0.283926260000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.642140990000000,  0.142140990000000,  0.716073740000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.357859010000000,  0.857859010000000,  0.716073740000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.142140990000000,  0.357859010000000,  0.283926260000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.671528330000000,  0.581351210000000,  0.780547500000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.581351210000000,  0.328471670000000,  0.219452500000000 ]    mass: 15.999400    reduced_to: 18  - symbol: Ge # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 20  - symbol: Dy # 21    coordinates: [  0.342177770000000,  0.157822230000000,  0.505533540000000 ]    mass: 162.500000    reduced_to: 21  - symbol: Dy # 22    coordinates: [  0.157822230000000,  0.657822230000000,  0.494466460000000 ]    mass: 162.500000    reduced_to: 22  - symbol: Dy # 23    coordinates: [  0.842177770000000,  0.342177770000000,  0.494466460000000 ]    mass: 162.500000    reduced_to: 23  - symbol: Dy # 24    coordinates: [  0.657822230000000,  0.842177770000000,  0.505533540000000 ]    mass: 162.500000    reduced_to: 24supercell:  lattice:  - [     7.366167090000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.366167090000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.534641880000001 ] # c  points:  - symbol: Be # 1    coordinates: [  0.364248330000000,  0.864248330000000,  0.024145310000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 2    coordinates: [  0.364248330000000,  0.864248330000000,  0.524145310000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 3    coordinates: [  0.135751670000000,  0.364248330000000,  0.475854690000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 4    coordinates: [  0.135751670000000,  0.364248330000000,  0.975854690000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 5    coordinates: [  0.635751670000000,  0.135751670000000,  0.024145310000000 ]    mass: 9.012182    reduced_to: 5  - symbol: Be # 6    coordinates: [  0.635751670000000,  0.135751670000000,  0.524145310000000 ]    mass: 9.012182    reduced_to: 5  - symbol: Be # 7    coordinates: [  0.864248330000000,  0.635751670000000,  0.475854690000000 ]    mass: 9.012182    reduced_to: 7  - symbol: Be # 8    coordinates: [  0.864248330000000,  0.635751670000000,  0.975854690000000 ]    mass: 9.012182    reduced_to: 7  - symbol: O  # 9    coordinates: [  0.328471670000000,  0.418648790000000,  0.390273750000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.328471670000000,  0.418648790000000,  0.890273750000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.418648790000000,  0.671528330000000,  0.109726250000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.418648790000000,  0.671528330000000,  0.609726250000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 13    coordinates: [  0.828471670000000,  0.081351210000000,  0.109726250000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.828471670000000,  0.081351210000000,  0.609726250000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.171528330000000,  0.918648790000000,  0.109726250000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.171528330000000,  0.918648790000000,  0.609726250000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 17    coordinates: [  0.918648790000000,  0.828471670000000,  0.390273750000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.918648790000000,  0.828471670000000,  0.890273750000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.081351210000000,  0.171528330000000,  0.390273750000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.081351210000000,  0.171528330000000,  0.890273750000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.000000000000000,  0.500000000000000,  0.406426250000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.000000000000000,  0.500000000000000,  0.906426250000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.500000000000000,  0.000000000000000,  0.093573750000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.000000000000000,  0.593573750000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 25    coordinates: [  0.857859010000000,  0.642140990000000,  0.141963130000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.857859010000000,  0.642140990000000,  0.641963130000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.642140990000000,  0.142140990000000,  0.358036870000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.642140990000000,  0.142140990000000,  0.858036870000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.357859010000000,  0.857859010000000,  0.358036870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.357859010000000,  0.857859010000000,  0.858036870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.142140990000000,  0.357859010000000,  0.141963130000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.142140990000000,  0.357859010000000,  0.641963130000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.671528330000000,  0.581351210000000,  0.390273750000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.671528330000000,  0.581351210000000,  0.890273750000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.581351210000000,  0.328471670000000,  0.109726250000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.581351210000000,  0.328471670000000,  0.609726250000000 ]    mass: 15.999400    reduced_to: 35  - symbol: Ge # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 39    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 39  - symbol: Ge # 40    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 39  - symbol: Dy # 41    coordinates: [  0.342177770000000,  0.157822230000000,  0.252766770000000 ]    mass: 162.500000    reduced_to: 41  - symbol: Dy # 42    coordinates: [  0.342177770000000,  0.157822230000000,  0.752766770000000 ]    mass: 162.500000    reduced_to: 41  - symbol: Dy # 43    coordinates: [  0.157822230000000,  0.657822230000000,  0.247233230000000 ]    mass: 162.500000    reduced_to: 43  - symbol: Dy # 44    coordinates: [  0.157822230000000,  0.657822230000000,  0.747233230000000 ]    mass: 162.500000    reduced_to: 43  - symbol: Dy # 45    coordinates: [  0.842177770000000,  0.342177770000000,  0.247233230000000 ]    mass: 162.500000    reduced_to: 45  - symbol: Dy # 46    coordinates: [  0.842177770000000,  0.342177770000000,  0.747233230000000 ]    mass: 162.500000    reduced_to: 45  - symbol: Dy # 47    coordinates: [  0.657822230000000,  0.842177770000000,  0.252766770000000 ]    mass: 162.500000    reduced_to: 47  - symbol: Dy # 48    coordinates: [  0.657822230000000,  0.842177770000000,  0.752766770000000 ]    mass: 162.500000    reduced_to: 47born_effective_charge:- # 1 (Be)  - [  1.644003030000000, -0.042353670000000, -0.032981940000000 ]  - [ -0.042353670000000,  1.644003030000000, -0.032981940000000 ]  - [  0.140907410000000,  0.140907410000000,  2.001840610000000 ]- # 2 (Be)  - [  1.644003030000000,  0.042353670000000, -0.032981940000000 ]  - [  0.042353670000000,  1.644003030000000,  0.032981940000000 ]  - [  0.140907410000000, -0.140907410000000,  2.001840610000000 ]- # 3 (Be)  - [  1.644003030000000, -0.042353670000000,  0.032981940000000 ]  - [ -0.042353670000000,  1.644003030000000,  0.032981940000000 ]  - [ -0.140907410000000, -0.140907410000000,  2.001840610000000 ]- # 4 (Be)  - [  1.644003030000000,  0.042353670000000,  0.032981940000000 ]  - [  0.042353670000000,  1.644003030000000, -0.032981940000000 ]  - [ -0.140907410000000,  0.140907410000000,  2.001840610000000 ]- # 5 (O)  - [ -2.084071620000000, -0.100252090000000, -0.191398490000000 ]  - [ -0.174917580000000, -1.976239860000000, -0.267951900000000 ]  - [ -0.253668240000000, -0.237271400000000, -1.910239370000000 ]- # 6 (O)  - [ -1.976239860000000,  0.174917580000000,  0.267951900000000 ]  - [  0.100252090000000, -2.084071620000000, -0.191398490000000 ]  - [  0.237271400000000, -0.253668240000000, -1.910239370000000 ]- # 7 (O)  - [ -2.084071620000000,  0.100252090000000,  0.191398490000000 ]  - [  0.174917580000000, -1.976239860000000, -0.267951900000000 ]  - [  0.253668240000000, -0.237271400000000, -1.910239370000000 ]- # 8 (O)  - [ -2.084071620000000,  0.100252090000000, -0.191398490000000 ]  - [  0.174917580000000, -1.976239860000000,  0.267951900000000 ]  - [ -0.253668240000000,  0.237271400000000, -1.910239370000000 ]- # 9 (O)  - [ -1.976239860000000, -0.174917580000000, -0.267951900000000 ]  - [ -0.100252090000000, -2.084071620000000, -0.191398490000000 ]  - [ -0.237271400000000, -0.253668240000000, -1.910239370000000 ]- # 10 (O)  - [ -1.976239860000000, -0.174917580000000,  0.267951900000000 ]  - [ -0.100252090000000, -2.084071620000000,  0.191398490000000 ]  - [  0.237271400000000,  0.253668240000000, -1.910239370000000 ]- # 11 (O)  - [ -2.131558450000000,  0.019888920000000,  0.000000000000000 ]  - [  0.019888920000000, -2.131558450000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.167503990000000 ]- # 12 (O)  - [ -2.131558450000000, -0.019888920000000,  0.000000000000000 ]  - [ -0.019888920000000, -2.131558450000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.167503990000000 ]- # 13 (O)  - [ -2.153934080000000,  0.231399990000000, -0.009127650000000 ]  - [  0.231399990000000, -2.153934080000000,  0.009127650000000 ]  - [ -0.003681150000000,  0.003681140000000, -2.263525050000000 ]- # 14 (O)  - [ -2.153934080000000, -0.231399990000000, -0.009127650000000 ]  - [ -0.231399990000000, -2.153934080000000, -0.009127650000000 ]  - [ -0.003681140000000, -0.003681150000000, -2.263525050000000 ]- # 15 (O)  - [ -2.153934080000000, -0.231399990000000,  0.009127650000000 ]  - [ -0.231399990000000, -2.153934080000000,  0.009127650000000 ]  - [  0.003681140000000,  0.003681150000000, -2.263525050000000 ]- # 16 (O)  - [ -2.153934080000000,  0.231399990000000,  0.009127650000000 ]  - [  0.231399990000000, -2.153934080000000, -0.009127650000000 ]  - [  0.003681150000000, -0.003681140000000, -2.263525050000000 ]- # 17 (O)  - [ -2.084071620000000, -0.100252090000000,  0.191398490000000 ]  - [ -0.174917580000000, -1.976239860000000,  0.267951900000000 ]  - [  0.253668240000000,  0.237271400000000, -1.910239370000000 ]- # 18 (O)  - [ -1.976239860000000,  0.174917580000000, -0.267951900000000 ]  - [  0.100252090000000, -2.084071620000000,  0.191398490000000 ]  - [ -0.237271400000000,  0.253668240000000, -1.910239370000000 ]- # 19 (Ge)  - [  3.421644120000000,  0.108000290000000,  0.000000000000000 ]  - [ -0.108000290000000,  3.421644120000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.395716560000000 ]- # 20 (Ge)  - [  3.421644120000000, -0.108000290000000,  0.000000000000000 ]  - [  0.108000290000000,  3.421644120000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.395716560000000 ]- # 21 (Dy)  - [  3.925199700000000, -0.372955630000000, -0.100234790000000 ]  - [ -0.372955640000000,  3.925199700000000,  0.100234800000000 ]  - [ -0.325840740000000,  0.325840740000000,  3.468056900000000 ]- # 22 (Dy)  - [  3.925199700000000,  0.372955640000000, -0.100234800000000 ]  - [  0.372955630000000,  3.925199700000000, -0.100234790000000 ]  - [ -0.325840740000000, -0.325840740000000,  3.468056900000000 ]- # 23 (Dy)  - [  3.925199700000000,  0.372955640000000,  0.100234800000000 ]  - [  0.372955630000000,  3.925199700000000,  0.100234790000000 ]  - [  0.325840740000000,  0.325840740000000,  3.468056900000000 ]- # 24 (Dy)  - [  3.925199700000000, -0.372955630000000,  0.100234790000000 ]  - [ -0.372955640000000,  3.925199700000000, -0.100234800000000 ]  - [  0.325840740000000, -0.325840740000000,  3.468056900000000 ]dielectric_constant:  - [  3.883692940000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.883692940000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.703349940000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1561112600000000, -0.0317641600000000, -0.0247727800000000 ]  - [   0.0002525700000000,  0.0000257200000000,  0.0002989500000000 ]  - [  -0.0005914600000000,  0.0000387800000000,  0.0001160400000000 ]  - [  -0.0017232900000000, -0.0019692900000000, -0.0005720300000000 ]  - [   0.0109729800000000,  0.0085653000000000, -0.0013568900000000 ]  - [  -0.0001138500000000, -0.0004059600000000,  0.0008213800000000 ]  - [   0.0006385600000000, -0.0000365800000000,  0.0002466500000000 ]  - [   0.0040510100000000,  0.0019602400000000, -0.0002457300000000 ]  - [   0.0006783100000000, -0.0006711500000000, -0.0004411200000000 ]  - [   0.0020998000000000,  0.0009706500000000,  0.0016360700000000 ]  - [   0.0218825400000000, -0.0020219200000000,  0.0006308700000000 ]  - 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[  -0.0034031100000000, -0.0010338200000000,  0.0004029500000000 ]  - [  -0.0014905500000000,  0.0137756700000000, -0.0113409900000000 ]  - [  -0.0002027500000000,  0.0021409100000000,  0.0050375000000000 ]  - [   0.0029736000000000, -0.0002709100000000, -0.0002117400000000 ]  - [   0.0032187300000000, -0.0003097200000000,  0.0002400300000000 ]  - [   0.0134289000000000, -0.0046063400000000,  0.0142459200000000 ]  - [   0.0034249700000000, -0.0003329200000000, -0.0064680600000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1575916600000000,  0.0286109200000000,  0.0210067400000000 ]  - [  -0.0002461100000000, -0.0000173200000000, -0.0002797300000000 ]  - [   0.0005870800000000, -0.0000295700000000, -0.0001296500000000 ]  - [   0.0017351500000000,  0.0019840100000000,  0.0005626800000000 ]  - [  -0.0109502100000000, -0.0084667900000000,  0.0014183500000000 ]  - [   0.0001028400000000,  0.0003953700000000, -0.0008141900000000 ]  - 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[   0.0002938800000000,  0.0002938800000000,  0.0061307600000000 ]  - [   0.0001196800000000, -0.0002520400000000,  0.0030927500000000 ]  - [  -0.0005693000000000,  0.0002462200000000, -0.0037006800000000 ]  - [   0.0013726400000000,  0.0013726400000000, -0.0080545800000000 ]  - [  -0.0008194000000000, -0.0008194000000000,  0.0030624200000000 ]  - [  -0.0002520400000000,  0.0001196800000000,  0.0030927500000000 ]  - [   0.0002462200000000, -0.0005693000000000, -0.0037006800000000 ]  - [  -0.0004658700000000, -0.0009881200000000, -0.0034997900000000 ]  - [   0.0014118600000000,  0.0000948100000000,  0.0060173400000000 ]  - [   0.0023491500000000, -0.0102148100000000,  0.0294391400000000 ]  - [   0.0009638100000000, -0.0018679200000000, -0.0055618000000000 ]  - [   0.0008679100000000, -0.0027743000000000,  0.0019750000000000 ]  - [   0.0004504800000000,  0.0007132400000000, -0.0021656100000000 ]  - [  -0.0102148100000000,  0.0023491500000000,  0.0294391400000000 ]  - [  -0.0018679200000000,  0.0009638100000000, -0.0055618000000000 ]  - 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[   0.0120328900000000, -0.0019056900000000,  0.0112870800000000 ]  - [  -0.0152716100000000,  0.0015055200000000,  0.0072086600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0229412400000000,  0.0229412400000000,  0.2067006500000000 ]  - [  -0.0002898700000000, -0.0002898700000000, -0.0060904900000000 ]  - [  -0.0001205000000000,  0.0002541600000000, -0.0031258400000000 ]  - [   0.0005707400000000, -0.0002424800000000,  0.0037044900000000 ]  - [  -0.0013980500000000, -0.0013980500000000,  0.0081421800000000 ]  - [   0.0008208400000000,  0.0008208400000000, -0.0030565900000000 ]  - [   0.0002541600000000, -0.0001205000000000, -0.0031258400000000 ]  - [  -0.0002424800000000,  0.0005707400000000,  0.0037044900000000 ]  - [   0.0004887600000000,  0.0009910000000000,  0.0035405600000000 ]  - [  -0.0013779500000000, -0.0000766900000000, -0.0059965400000000 ]  - [  -0.0021521700000000,  0.0094590300000000, -0.0291337300000000 ]  - 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