# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1e41881d-507f-4937-9ab3-19ffb095e81f/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 LiMg2H7Ru / P6_3/mmc (194) / materials id 643276](https://mdr.nims.go.jp/datasets/ba3b899e-3827-4f5e-9960-1811d9a1d3e5) ## 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: "P6_3/mmc" number: 194 Hall_symbol: "-P 6c 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.641833000000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.320916500000000, 4.019945300000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.636729870000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 - symbol: Mg # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.424809320000000 ] mass: 24.305000 - symbol: Mg # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.575190680000000 ] mass: 24.305000 - symbol: Mg # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.924809320000000 ] mass: 24.305000 - symbol: Mg # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.075190680000000 ] mass: 24.305000 - symbol: H # 7 coordinates: [ 0.333434730000000, 0.166717360000000, 0.904177920000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.833282640000000, 0.166717360000000, 0.904177920000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.833282640000000, 0.666565270000000, 0.904177920000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.666565270000000, 0.833282640000000, 0.095822080000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.166717360000000, 0.833282640000000, 0.095822080000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.166717360000000, 0.333434730000000, 0.095822080000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.666565270000000, 0.833282640000000, 0.404177920000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.166717360000000, 0.833282640000000, 0.404177920000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.166717360000000, 0.333434730000000, 0.404177920000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.333434730000000, 0.166717360000000, 0.595822080000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.833282640000000, 0.166717360000000, 0.595822080000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.833282640000000, 0.666565270000000, 0.595822080000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250000000000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750000000000000 ] mass: 1.007940 - symbol: Ru # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 101.070000 - symbol: Ru # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 101.070000 reciprocal_lattice: # without 2pi - [ 0.215432136399565, 0.124379801884369, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.248759603768738, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.094013856911081 ] # c*unit_cell: lattice: - [ 4.641833000000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.320916500000000, 4.019945300000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.636729870000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.424809320000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.575190680000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.924809320000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.075190680000000 ] mass: 24.305000 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.333434730000000, 0.166717360000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.833282640000000, 0.166717360000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.833282640000000, 0.666565270000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.666565270000000, 0.833282640000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.166717360000000, 0.833282640000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.166717360000000, 0.333434730000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.666565270000000, 0.833282640000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.166717360000000, 0.833282640000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.166717360000000, 0.333434730000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.333434730000000, 0.166717360000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.833282640000000, 0.166717360000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.833282640000000, 0.666565270000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 20 - symbol: Ru # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 21 - symbol: Ru # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 22supercell: lattice: - [ 9.283666000000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.641833000000000, 8.039890600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.636729870000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Mg # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.424809320000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.424809320000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.424809320000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.424809320000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 13 coordinates: [ 0.166666665000000, 0.333333335000000, 0.575190680000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 14 coordinates: [ 0.666666665000000, 0.333333335000000, 0.575190680000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 15 coordinates: [ 0.166666665000000, 0.833333335000000, 0.575190680000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 16 coordinates: [ 0.666666665000000, 0.833333335000000, 0.575190680000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.924809320000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.924809320000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.924809320000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.924809320000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.075190680000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.075190680000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.075190680000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.075190680000000 ] mass: 24.305000 reduced_to: 21 - symbol: H # 25 coordinates: [ 0.166717365000000, 0.083358680000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.666717365000000, 0.083358680000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.166717365000000, 0.583358680000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 28 coordinates: [ 0.666717365000000, 0.583358680000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 29 coordinates: [ 0.416641320000000, 0.083358680000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.916641320000000, 0.083358680000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 31 coordinates: [ 0.416641320000000, 0.583358680000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 32 coordinates: [ 0.916641320000000, 0.583358680000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 33 coordinates: [ 0.416641320000000, 0.333282635000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.916641320000000, 0.333282635000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.416641320000000, 0.833282635000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 36 coordinates: [ 0.916641320000000, 0.833282635000000, 0.904177920000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 37 coordinates: [ 0.333282635000000, 0.416641320000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.833282635000000, 0.416641320000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.333282635000000, 0.916641320000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.833282635000000, 0.916641320000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.083358680000000, 0.416641320000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.583358680000000, 0.416641320000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.083358680000000, 0.916641320000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 44 coordinates: [ 0.583358680000000, 0.916641320000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 45 coordinates: [ 0.083358680000000, 0.166717365000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.583358680000000, 0.166717365000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.083358680000000, 0.666717365000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 48 coordinates: [ 0.583358680000000, 0.666717365000000, 0.095822080000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 49 coordinates: [ 0.333282635000000, 0.416641320000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.833282635000000, 0.416641320000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.333282635000000, 0.916641320000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.833282635000000, 0.916641320000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.083358680000000, 0.416641320000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.583358680000000, 0.416641320000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.083358680000000, 0.916641320000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 56 coordinates: [ 0.583358680000000, 0.916641320000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 57 coordinates: [ 0.083358680000000, 0.166717365000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.583358680000000, 0.166717365000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.083358680000000, 0.666717365000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 60 coordinates: [ 0.583358680000000, 0.666717365000000, 0.404177920000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 61 coordinates: [ 0.166717365000000, 0.083358680000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.666717365000000, 0.083358680000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.166717365000000, 0.583358680000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 64 coordinates: [ 0.666717365000000, 0.583358680000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 65 coordinates: [ 0.416641320000000, 0.083358680000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 66 coordinates: [ 0.916641320000000, 0.083358680000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 67 coordinates: [ 0.416641320000000, 0.583358680000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 68 coordinates: [ 0.916641320000000, 0.583358680000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 69 coordinates: [ 0.416641320000000, 0.333282635000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 70 coordinates: [ 0.916641320000000, 0.333282635000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 71 coordinates: [ 0.416641320000000, 0.833282635000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 72 coordinates: [ 0.916641320000000, 0.833282635000000, 0.595822080000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 73 coordinates: [ 0.333333335000000, 0.166666665000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 74 coordinates: [ 0.833333335000000, 0.166666665000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 75 coordinates: [ 0.333333335000000, 0.666666665000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 76 coordinates: [ 0.833333335000000, 0.666666665000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 77 coordinates: [ 0.166666665000000, 0.333333335000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 78 coordinates: [ 0.666666665000000, 0.333333335000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 79 coordinates: [ 0.166666665000000, 0.833333335000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 80 coordinates: [ 0.666666665000000, 0.833333335000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 77 - symbol: Ru # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 81 - symbol: Ru # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 81 - symbol: Ru # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 81 - symbol: Ru # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 81 - symbol: Ru # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 85 - symbol: Ru # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 85 - symbol: Ru # 87 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 85 - symbol: Ru # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 85born_effective_charge:- # 1 (Li) - [ 0.806585480000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.806585480000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.481000040000000 ]- # 2 (Li) - [ 0.806585480000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.806585480000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.481000040000000 ]- # 3 (Mg) - [ 2.176602550000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.176602550000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.479499310000000 ]- # 4 (Mg) - [ 2.176602550000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.176602550000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.479499310000000 ]- # 5 (Mg) - [ 2.176602550000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.176602550000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.479499310000000 ]- # 6 (Mg) - [ 2.176602550000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.176602550000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.479499310000000 ]- # 7 (H) - [ -0.295879890000000, -0.259281920000000, 0.404973240000000 ] - [ -0.259281920000000, 0.003513090000000, 0.233811410000000 ] - [ 0.253766030000000, 0.146511880000000, -0.161203290000000 ]- # 8 (H) - [ -0.295879884462004, 0.259281923439243, -0.404973240849107 ] - [ 0.259281922955484, 0.003513084462005, 0.233811408529304 ] - [ -0.253766024977034, 0.146511888700033, -0.161203290000000 ]- # 9 (H) - [ 0.153209574462005, -0.000000003076423, 0.000000000849107 ] - [ -0.000000003318303, -0.445576374462004, -0.467622818529303 ] - [ -0.000000005022966, -0.293023768700033, -0.161203290000000 ]- # 10 (H) - [ -0.295879890000000, -0.259281920000000, 0.404973240000000 ] - [ -0.259281920000000, 0.003513090000000, 0.233811410000000 ] - [ 0.253766030000000, 0.146511880000000, -0.161203290000000 ]- # 11 (H) - [ -0.295879884462004, 0.259281923439243, -0.404973240849107 ] - [ 0.259281922955484, 0.003513084462005, 0.233811408529304 ] - [ -0.253766024977034, 0.146511888700033, -0.161203290000000 ]- # 12 (H) - [ 0.153209574462005, -0.000000003076423, 0.000000000849107 ] - [ -0.000000003318303, -0.445576374462004, -0.467622818529303 ] - [ -0.000000005022966, -0.293023768700033, -0.161203290000000 ]- # 13 (H) - [ -0.295879890000000, -0.259281920000000, -0.404973240000000 ] - [ -0.259281920000000, 0.003513090000000, -0.233811410000000 ] - [ -0.253766030000000, -0.146511880000000, -0.161203290000000 ]- # 14 (H) - [ -0.295879884462004, 0.259281923439243, 0.404973240849107 ] - [ 0.259281922955484, 0.003513084462005, -0.233811408529304 ] - [ 0.253766024977034, -0.146511888700033, -0.161203290000000 ]- # 15 (H) - [ 0.153209574462005, -0.000000003076423, -0.000000000849107 ] - 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