# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8533aea6-1532-4c27-bc57-d03f6c23d3a1/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 SrHo2O4 / Pnma (62) / materials id 559385](https://mdr.nims.go.jp/datasets/c2f9536e-b500-481c-a833-6601db3c8c47) ## 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, 1 ]primitive_cell: lattice: - [ 9.951428880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.374402640000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.792149439999999 ] # c points: - symbol: Sr # 1 coordinates: [ 0.748056900000000, 0.250000000000000, 0.149938550000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.248056900000000, 0.250000000000000, 0.350061450000000 ] mass: 87.620000 - symbol: Sr # 3 coordinates: [ 0.751943100000000, 0.750000000000000, 0.649938550000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.251943100000000, 0.750000000000000, 0.850061450000000 ] mass: 87.620000 - symbol: Ho # 5 coordinates: [ 0.423646560000000, 0.750000000000000, 0.110686650000000 ] mass: 164.930320 - symbol: Ho # 6 coordinates: [ 0.078388910000000, 0.250000000000000, 0.111369230000000 ] mass: 164.930320 - symbol: Ho # 7 coordinates: [ 0.421611090000000, 0.750000000000000, 0.611369230000000 ] mass: 164.930320 - symbol: Ho # 8 coordinates: [ 0.076353440000000, 0.250000000000000, 0.610686650000000 ] mass: 164.930320 - symbol: Ho # 9 coordinates: [ 0.923646560000000, 0.750000000000000, 0.389313350000000 ] mass: 164.930320 - symbol: Ho # 10 coordinates: [ 0.921611090000000, 0.750000000000000, 0.888630770000000 ] mass: 164.930320 - symbol: Ho # 11 coordinates: [ 0.576353440000000, 0.250000000000000, 0.889313350000000 ] mass: 164.930320 - symbol: Ho # 12 coordinates: [ 0.578388910000000, 0.250000000000000, 0.388630770000000 ] mass: 164.930320 - symbol: O # 13 coordinates: [ 0.573455230000000, 0.250000000000000, 0.577917740000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.126005200000000, 0.750000000000000, 0.480822820000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.485945950000000, 0.250000000000000, 0.216608790000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.514054050000000, 0.750000000000000, 0.783391210000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.014054050000000, 0.750000000000000, 0.716608790000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.626005200000000, 0.750000000000000, 0.019177180000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.287985020000000, 0.250000000000000, 0.674662290000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.926544770000000, 0.750000000000000, 0.077917740000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.212014980000000, 0.750000000000000, 0.174662290000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.873994800000000, 0.250000000000000, 0.519177180000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.712014980000000, 0.750000000000000, 0.325337710000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.787985020000000, 0.250000000000000, 0.825337710000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.985945950000000, 0.250000000000000, 0.283391210000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.426544770000000, 0.750000000000000, 0.422082260000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.073455230000000, 0.250000000000000, 0.922082260000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.373994800000000, 0.250000000000000, 0.980822820000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.100488081868299, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.296348748707712, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.084802181747113 ] # c*unit_cell: lattice: - [ 9.951428880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.374402640000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.792149439999999 ] # c points: - symbol: Sr # 1 coordinates: [ 0.748056900000000, 0.250000000000000, 0.149938550000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.248056900000000, 0.250000000000000, 0.350061450000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.751943100000000, 0.750000000000000, 0.649938550000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.251943100000000, 0.750000000000000, 0.850061450000000 ] mass: 87.620000 reduced_to: 4 - symbol: Ho # 5 coordinates: [ 0.423646560000000, 0.750000000000000, 0.110686650000000 ] mass: 164.930320 reduced_to: 5 - symbol: Ho # 6 coordinates: [ 0.078388910000000, 0.250000000000000, 0.111369230000000 ] mass: 164.930320 reduced_to: 6 - symbol: Ho # 7 coordinates: [ 0.421611090000000, 0.750000000000000, 0.611369230000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 8 coordinates: [ 0.076353440000000, 0.250000000000000, 0.610686650000000 ] mass: 164.930320 reduced_to: 8 - symbol: Ho # 9 coordinates: [ 0.923646560000000, 0.750000000000000, 0.389313350000000 ] mass: 164.930320 reduced_to: 9 - symbol: Ho # 10 coordinates: [ 0.921611090000000, 0.750000000000000, 0.888630770000000 ] mass: 164.930320 reduced_to: 10 - symbol: Ho # 11 coordinates: [ 0.576353440000000, 0.250000000000000, 0.889313350000000 ] mass: 164.930320 reduced_to: 11 - symbol: Ho # 12 coordinates: [ 0.578388910000000, 0.250000000000000, 0.388630770000000 ] mass: 164.930320 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.573455230000000, 0.250000000000000, 0.577917740000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.126005200000000, 0.750000000000000, 0.480822820000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.485945950000000, 0.250000000000000, 0.216608790000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.514054050000000, 0.750000000000000, 0.783391210000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.014054050000000, 0.750000000000000, 0.716608790000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.626005200000000, 0.750000000000000, 0.019177180000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.287985020000000, 0.250000000000000, 0.674662290000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.926544770000000, 0.750000000000000, 0.077917740000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.212014980000000, 0.750000000000000, 0.174662290000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.873994800000000, 0.250000000000000, 0.519177180000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.712014980000000, 0.750000000000000, 0.325337710000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.787985020000000, 0.250000000000000, 0.825337710000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.985945950000000, 0.250000000000000, 0.283391210000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.426544770000000, 0.750000000000000, 0.422082260000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.073455230000000, 0.250000000000000, 0.922082260000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.373994800000000, 0.250000000000000, 0.980822820000000 ] mass: 15.999400 reduced_to: 28supercell: lattice: - [ 9.951428880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.123207920000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.792149439999999 ] # c points: - symbol: Sr # 1 coordinates: [ 0.748056900000000, 0.083333333333333, 0.149938550000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.748056900000000, 0.416666666666667, 0.149938550000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.748056900000000, 0.750000000000000, 0.149938550000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.248056900000000, 0.083333333333333, 0.350061450000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.248056900000000, 0.416666666666667, 0.350061450000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 6 coordinates: [ 0.248056900000000, 0.750000000000000, 0.350061450000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 7 coordinates: [ 0.751943100000000, 0.250000000000000, 0.649938550000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.751943100000000, 0.583333333333333, 0.649938550000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 9 coordinates: [ 0.751943100000000, 0.916666666666667, 0.649938550000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 10 coordinates: [ 0.251943100000000, 0.250000000000000, 0.850061450000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.251943100000000, 0.583333333333333, 0.850061450000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 12 coordinates: [ 0.251943100000000, 0.916666666666667, 0.850061450000000 ] mass: 87.620000 reduced_to: 10 - symbol: Ho # 13 coordinates: [ 0.423646560000000, 0.250000000000000, 0.110686650000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 14 coordinates: [ 0.423646560000000, 0.583333333333333, 0.110686650000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 15 coordinates: [ 0.423646560000000, 0.916666666666667, 0.110686650000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 16 coordinates: [ 0.078388910000000, 0.083333333333333, 0.111369230000000 ] mass: 164.930320 reduced_to: 16 - symbol: Ho # 17 coordinates: [ 0.078388910000000, 0.416666666666667, 0.111369230000000 ] mass: 164.930320 reduced_to: 16 - symbol: Ho # 18 coordinates: [ 0.078388910000000, 0.750000000000000, 0.111369230000000 ] mass: 164.930320 reduced_to: 16 - symbol: Ho # 19 coordinates: [ 0.421611090000000, 0.250000000000000, 0.611369230000000 ] mass: 164.930320 reduced_to: 19 - symbol: Ho # 20 coordinates: [ 0.421611090000000, 0.583333333333333, 0.611369230000000 ] mass: 164.930320 reduced_to: 19 - symbol: Ho # 21 coordinates: [ 0.421611090000000, 0.916666666666667, 0.611369230000000 ] mass: 164.930320 reduced_to: 19 - symbol: Ho # 22 coordinates: [ 0.076353440000000, 0.083333333333333, 0.610686650000000 ] mass: 164.930320 reduced_to: 22 - symbol: Ho # 23 coordinates: [ 0.076353440000000, 0.416666666666667, 0.610686650000000 ] mass: 164.930320 reduced_to: 22 - symbol: Ho # 24 coordinates: [ 0.076353440000000, 0.750000000000000, 0.610686650000000 ] mass: 164.930320 reduced_to: 22 - symbol: Ho # 25 coordinates: [ 0.923646560000000, 0.250000000000000, 0.389313350000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 26 coordinates: [ 0.923646560000000, 0.583333333333333, 0.389313350000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 27 coordinates: [ 0.923646560000000, 0.916666666666667, 0.389313350000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 28 coordinates: [ 0.921611090000000, 0.250000000000000, 0.888630770000000 ] mass: 164.930320 reduced_to: 28 - symbol: Ho # 29 coordinates: [ 0.921611090000000, 0.583333333333333, 0.888630770000000 ] mass: 164.930320 reduced_to: 28 - symbol: Ho # 30 coordinates: [ 0.921611090000000, 0.916666666666667, 0.888630770000000 ] mass: 164.930320 reduced_to: 28 - symbol: Ho # 31 coordinates: [ 0.576353440000000, 0.083333333333333, 0.889313350000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 32 coordinates: [ 0.576353440000000, 0.416666666666667, 0.889313350000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 33 coordinates: [ 0.576353440000000, 0.750000000000000, 0.889313350000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 34 coordinates: [ 0.578388910000000, 0.083333333333333, 0.388630770000000 ] mass: 164.930320 reduced_to: 34 - symbol: Ho # 35 coordinates: [ 0.578388910000000, 0.416666666666667, 0.388630770000000 ] mass: 164.930320 reduced_to: 34 - symbol: Ho # 36 coordinates: [ 0.578388910000000, 0.750000000000000, 0.388630770000000 ] mass: 164.930320 reduced_to: 34 - symbol: O # 37 coordinates: [ 0.573455230000000, 0.083333333333333, 0.577917740000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.573455230000000, 0.416666666666667, 0.577917740000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.573455230000000, 0.750000000000000, 0.577917740000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.126005200000000, 0.250000000000000, 0.480822820000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.126005200000000, 0.583333333333333, 0.480822820000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.126005200000000, 0.916666666666667, 0.480822820000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.485945950000000, 0.083333333333333, 0.216608790000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.485945950000000, 0.416666666666667, 0.216608790000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.485945950000000, 0.750000000000000, 0.216608790000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.514054050000000, 0.250000000000000, 0.783391210000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.514054050000000, 0.583333333333333, 0.783391210000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.514054050000000, 0.916666666666667, 0.783391210000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.014054050000000, 0.250000000000000, 0.716608790000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.014054050000000, 0.583333333333333, 0.716608790000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.014054050000000, 0.916666666666667, 0.716608790000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.626005200000000, 0.250000000000000, 0.019177180000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.626005200000000, 0.583333333333333, 0.019177180000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.626005200000000, 0.916666666666667, 0.019177180000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.287985020000000, 0.083333333333333, 0.674662290000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.287985020000000, 0.416666666666667, 0.674662290000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.287985020000000, 0.750000000000000, 0.674662290000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.926544770000000, 0.250000000000000, 0.077917740000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.926544770000000, 0.583333333333333, 0.077917740000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.926544770000000, 0.916666666666667, 0.077917740000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.212014980000000, 0.250000000000000, 0.174662290000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.212014980000000, 0.583333333333333, 0.174662290000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.212014980000000, 0.916666666666667, 0.174662290000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.873994800000000, 0.083333333333333, 0.519177180000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.873994800000000, 0.416666666666667, 0.519177180000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.873994800000000, 0.750000000000000, 0.519177180000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.712014980000000, 0.250000000000000, 0.325337710000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.712014980000000, 0.583333333333333, 0.325337710000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.712014980000000, 0.916666666666667, 0.325337710000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.787985020000000, 0.083333333333333, 0.825337710000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.787985020000000, 0.416666666666667, 0.825337710000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.787985020000000, 0.750000000000000, 0.825337710000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 73 coordinates: [ 0.985945950000000, 0.083333333333333, 0.283391210000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.985945950000000, 0.416666666666667, 0.283391210000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.985945950000000, 0.750000000000000, 0.283391210000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.426544770000000, 0.250000000000000, 0.422082260000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.426544770000000, 0.583333333333333, 0.422082260000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 78 coordinates: [ 0.426544770000000, 0.916666666666667, 0.422082260000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 79 coordinates: [ 0.073455230000000, 0.083333333333333, 0.922082260000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.073455230000000, 0.416666666666667, 0.922082260000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.073455230000000, 0.750000000000000, 0.922082260000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.373994800000000, 0.083333333333333, 0.980822820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.373994800000000, 0.416666666666667, 0.980822820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.373994800000000, 0.750000000000000, 0.980822820000000 ] mass: 15.999400 reduced_to: 82born_effective_charge:- # 1 (Sr) - [ 2.632843130000000, 0.000000000000000, 0.061353360000000 ] - [ 0.000000000000000, 2.390735630000000, 0.000000000000000 ] - [ 0.044568860000000, 0.000000000000000, 2.473595720000000 ]- # 2 (Sr) - [ 2.632843130000000, 0.000000000000000, -0.061353360000000 ] - [ 0.000000000000000, 2.390735630000000, 0.000000000000000 ] - [ -0.044568860000000, 0.000000000000000, 2.473595720000000 ]- # 3 (Sr) - [ 2.632843130000000, 0.000000000000000, -0.061353360000000 ] - [ 0.000000000000000, 2.390735630000000, 0.000000000000000 ] - [ -0.044568860000000, 0.000000000000000, 2.473595720000000 ]- # 4 (Sr) - [ 2.632843130000000, 0.000000000000000, 0.061353360000000 ] - [ 0.000000000000000, 2.390735630000000, 0.000000000000000 ] - [ 0.044568860000000, 0.000000000000000, 2.473595720000000 ]- # 5 (Ho) - [ 3.502029550000000, 0.000000000000000, -0.227931070000000 ] - [ 0.000000000000000, 4.206271000000000, 0.000000000000000 ] - [ -0.126946520000000, 0.000000000000000, 3.559047860000000 ]- # 6 (Ho) - [ 3.454500460000001, 0.000000000000000, 0.188765120000000 ] - [ 0.000000000000000, 3.997236010000000, 0.000000000000000 ] - [ 0.080248190000000, 0.000000000000000, 3.994801810000000 ]- # 7 (Ho) - [ 3.454500460000001, 0.000000000000000, -0.188765120000000 ] - [ 0.000000000000000, 3.997236010000000, 0.000000000000000 ] - [ -0.080248190000000, 0.000000000000000, 3.994801810000000 ]- # 8 (Ho) - [ 3.502029550000001, 0.000000000000000, 0.227931070000000 ] - [ 0.000000000000000, 4.206271000000000, 0.000000000000000 ] - [ 0.126946520000000, 0.000000000000000, 3.559047860000000 ]- # 9 (Ho) - [ 3.502029550000001, 0.000000000000000, 0.227931070000000 ] - [ 0.000000000000000, 4.206271000000000, 0.000000000000000 ] - [ 0.126946520000000, 0.000000000000000, 3.559047860000000 ]- # 10 (Ho) - [ 3.454500460000001, 0.000000000000000, 0.188765120000000 ] - [ 0.000000000000000, 3.997236010000000, 0.000000000000000 ] - [ 0.080248190000000, 0.000000000000000, 3.994801810000000 ]- # 11 (Ho) - [ 3.502029550000001, 0.000000000000000, -0.227931070000000 ] - [ 0.000000000000000, 4.206271000000000, 0.000000000000000 ] - 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