# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/75aee903-0073-4c65-bb6b-ed5d48b59d08/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 Mg3MnH7 / P6_3/mmc (194) / materials id 643573](https://mdr.nims.go.jp/datasets/4e145344-0064-49ad-baef-d6fef237f09f) ## 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: - [ 4.609426070000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.304713040000000, 3.991880070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.286746600000001 ] # c points: - symbol: Mg # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 24.305000 - symbol: Mg # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 24.305000 - symbol: Mg # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.433577180000000 ] mass: 24.305000 - symbol: Mg # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.566422820000000 ] mass: 24.305000 - symbol: Mg # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.933577180000000 ] mass: 24.305000 - symbol: Mg # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.066422820000000 ] mass: 24.305000 - symbol: Mn # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 54.938045 - symbol: Mn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 54.938045 - symbol: H # 9 coordinates: [ 0.328550170000000, 0.164275080000000, 0.907936020000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.835724920000000, 0.164275080000000, 0.907936020000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.835724920000000, 0.671449830000000, 0.907936020000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.671449830000000, 0.835724920000000, 0.092063980000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.164275080000000, 0.835724920000000, 0.092063980000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.164275080000000, 0.328550170000000, 0.092063980000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.671449830000000, 0.835724920000000, 0.407936020000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.164275080000000, 0.835724920000000, 0.407936020000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.164275080000000, 0.328550170000000, 0.407936020000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.328550170000000, 0.164275080000000, 0.592063980000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.835724920000000, 0.164275080000000, 0.592063980000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.835724920000000, 0.671449830000000, 0.592063980000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250000000000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750000000000000 ] mass: 1.007940 reciprocal_lattice: # without 2pi - [ 0.216946748860645, 0.125254264235632, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.250508527927794, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.097212465601126 ] # c*unit_cell: lattice: - [ 4.609426070000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.304713040000000, 3.991880070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.286746600000001 ] # c points: - symbol: Mg # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.433577180000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.566422820000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.933577180000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.066422820000000 ] mass: 24.305000 reduced_to: 6 - symbol: Mn # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 54.938045 reduced_to: 7 - symbol: Mn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 54.938045 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.328550170000000, 0.164275080000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.835724920000000, 0.164275080000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.835724920000000, 0.671449830000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.671449830000000, 0.835724920000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.164275080000000, 0.835724920000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.164275080000000, 0.328550170000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.671449830000000, 0.835724920000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.164275080000000, 0.835724920000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.164275080000000, 0.328550170000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.328550170000000, 0.164275080000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.835724920000000, 0.164275080000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.835724920000000, 0.671449830000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 22supercell: lattice: - [ 9.218852139999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.609426080000000, 7.983760140000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.286746600000001 ] # c points: - symbol: Mg # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.433577180000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.433577180000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.433577180000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.433577180000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 13 coordinates: [ 0.166666665000000, 0.333333335000000, 0.566422820000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 14 coordinates: [ 0.666666665000000, 0.333333335000000, 0.566422820000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 15 coordinates: [ 0.166666665000000, 0.833333335000000, 0.566422820000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 16 coordinates: [ 0.666666665000000, 0.833333335000000, 0.566422820000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.933577180000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.933577180000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.933577180000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.933577180000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.066422820000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.066422820000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.066422820000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.066422820000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mn # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 54.938045 reduced_to: 25 - symbol: Mn # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 54.938045 reduced_to: 25 - symbol: Mn # 27 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 54.938045 reduced_to: 25 - symbol: Mn # 28 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 54.938045 reduced_to: 25 - symbol: Mn # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 54.938045 reduced_to: 29 - symbol: Mn # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 54.938045 reduced_to: 29 - symbol: Mn # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 54.938045 reduced_to: 29 - symbol: Mn # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 54.938045 reduced_to: 29 - symbol: H # 33 coordinates: [ 0.164275085000000, 0.082137540000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.664275085000000, 0.082137540000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.164275085000000, 0.582137540000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 36 coordinates: [ 0.664275085000000, 0.582137540000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 37 coordinates: [ 0.417862460000000, 0.082137540000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.917862460000000, 0.082137540000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.417862460000000, 0.582137540000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.917862460000000, 0.582137540000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.417862460000000, 0.335724915000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.917862460000000, 0.335724915000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.417862460000000, 0.835724915000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 44 coordinates: [ 0.917862460000000, 0.835724915000000, 0.907936020000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 45 coordinates: [ 0.335724915000000, 0.417862460000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.835724915000000, 0.417862460000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.335724915000000, 0.917862460000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 48 coordinates: [ 0.835724915000000, 0.917862460000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 49 coordinates: [ 0.082137540000000, 0.417862460000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.582137540000000, 0.417862460000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.082137540000000, 0.917862460000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.582137540000000, 0.917862460000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.082137540000000, 0.164275085000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.582137540000000, 0.164275085000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.082137540000000, 0.664275085000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 56 coordinates: [ 0.582137540000000, 0.664275085000000, 0.092063980000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 57 coordinates: [ 0.335724915000000, 0.417862460000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.835724915000000, 0.417862460000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.335724915000000, 0.917862460000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 60 coordinates: [ 0.835724915000000, 0.917862460000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 61 coordinates: [ 0.082137540000000, 0.417862460000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.582137540000000, 0.417862460000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.082137540000000, 0.917862460000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 64 coordinates: [ 0.582137540000000, 0.917862460000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 65 coordinates: [ 0.082137540000000, 0.164275085000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 66 coordinates: [ 0.582137540000000, 0.164275085000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 67 coordinates: [ 0.082137540000000, 0.664275085000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 68 coordinates: [ 0.582137540000000, 0.664275085000000, 0.407936020000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 69 coordinates: [ 0.164275085000000, 0.082137540000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 70 coordinates: [ 0.664275085000000, 0.082137540000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 71 coordinates: [ 0.164275085000000, 0.582137540000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 72 coordinates: [ 0.664275085000000, 0.582137540000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 73 coordinates: [ 0.417862460000000, 0.082137540000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 74 coordinates: [ 0.917862460000000, 0.082137540000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 75 coordinates: [ 0.417862460000000, 0.582137540000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 76 coordinates: [ 0.917862460000000, 0.582137540000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 77 coordinates: [ 0.417862460000000, 0.335724915000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 78 coordinates: [ 0.917862460000000, 0.335724915000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 79 coordinates: [ 0.417862460000000, 0.835724915000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 80 coordinates: [ 0.917862460000000, 0.835724915000000, 0.592063980000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 81 coordinates: [ 0.333333335000000, 0.166666665000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 82 coordinates: [ 0.833333335000000, 0.166666665000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 83 coordinates: [ 0.333333335000000, 0.666666665000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 84 coordinates: [ 0.833333335000000, 0.666666665000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 85 coordinates: [ 0.166666665000000, 0.333333335000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 86 coordinates: [ 0.666666665000000, 0.333333335000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 87 coordinates: [ 0.166666665000000, 0.833333335000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 88 coordinates: [ 0.666666665000000, 0.833333335000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 85born_effective_charge:- # 1 (Mg) - [ 1.577669830000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.577669830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.665512230000000 ]- # 2 (Mg) - [ 1.577669830000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.577669830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.665512230000000 ]- # 3 (Mg) - [ 2.129512440000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.129512440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.457058060000000 ]- # 4 (Mg) - [ 2.129512440000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.129512440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.457058060000000 ]- # 5 (Mg) - [ 2.129512440000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.129512440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.457058060000000 ]- # 6 (Mg) - [ 2.129512440000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.129512440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.457058060000000 ]- # 7 (Mn) - [ -4.144830360000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -4.144830360000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.607033860000000 ]- # 8 (Mn) - [ -4.144830360000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -4.144830360000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.607033860000000 ]- # 9 (H) - [ -0.289839680000000, -0.270778380000000, 0.279389370000000 ] - [ -0.270778380000000, 0.022828260000000, 0.161305530000000 ] - [ 0.339485340000000, 0.196001960000000, -0.111620550000000 ]- # 10 (H) - [ -0.289839680875596, 0.270778379021511, -0.279389371325849 ] - [ 0.270778379967437, 0.022828260875596, 0.161305527003668 ] - [ -0.339485347068036, 0.196001948608243, -0.111620550000000 ]- # 11 (H) - [ 0.179162230875596, -0.000000000318401, 0.000000001325849 ] - [ 0.000000001329452, -0.446173650875596, -0.322611057003668 ] - [ 0.000000007068036, -0.392003908608243, -0.111620550000000 ]- # 12 (H) - [ -0.289839680000000, -0.270778380000000, 0.279389370000000 ] - [ -0.270778380000000, 0.022828260000000, 0.161305530000000 ] - [ 0.339485340000000, 0.196001960000000, -0.111620550000000 ]- # 13 (H) - [ -0.289839680875596, 0.270778379021511, -0.279389371325849 ] - [ 0.270778379967437, 0.022828260875596, 0.161305527003668 ] - [ -0.339485347068036, 0.196001948608243, -0.111620550000000 ]- # 14 (H) - [ 0.179162230875596, -0.000000000318401, 0.000000001325849 ] - [ 0.000000001329452, -0.446173650875596, -0.322611057003668 ] - [ 0.000000007068036, -0.392003908608243, -0.111620550000000 ]- # 15 (H) - [ -0.289839680000000, -0.270778380000000, -0.279389370000000 ] - 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