# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f5cad0d1-786e-4294-bee9-c113bc771106/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 Ag2PHO4 / P3_112 (151) / materials id 707138](https://mdr.nims.go.jp/datasets/8a11d721-5a03-4e68-b158-78814dec8645) ## 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: "P3_112" number: 151 Hall_symbol: "P 31 2c (0 0 1)"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.381016980000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.190508500000000, 5.526122810000000, 0.000000000000000 ] # b - 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symbol: H # 10 coordinates: [ 0.681364170000000, 0.318635830000000, 0.833333330000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.681364170000000, 0.362728330000000, 0.166666670000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.637271670000000, 0.318635830000000, 0.500000000000000 ] mass: 1.007940 - symbol: O # 13 coordinates: [ 0.081210040000000, 0.821597500000000, 0.589236530000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.178402500000000, 0.259612530000000, 0.922569860000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.740387470000000, 0.918789960000000, 0.255903200000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.740387470000000, 0.821597500000000, 0.744096800000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.081210040000000, 0.259612530000000, 0.410763470000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.178402500000000, 0.918789960000000, 0.077430140000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.862439560000000, 0.497710600000000, 0.792945890000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.502289400000000, 0.364728960000000, 0.126279220000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.635271040000000, 0.137560440000000, 0.459612560000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.635271040000000, 0.497710600000000, 0.540387440000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.862439560000000, 0.364728960000000, 0.207054110000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.502289400000000, 0.137560440000000, 0.873720780000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.156714831371597, 0.090479350307299, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.180958700047421, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.120146317790194 ] # c*unit_cell: lattice: - [ 6.381016980000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.190508500000000, 5.526122810000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.323184749999999 ] # c points: - symbol: Ag # 1 coordinates: [ 0.399738480000000, 0.799476970000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 2 coordinates: [ 0.200523030000000, 0.600261520000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 2 - symbol: Ag # 3 coordinates: [ 0.399738480000000, 0.600261520000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 3 - symbol: Ag # 4 coordinates: [ 0.138768770000000, 0.277537520000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 4 - symbol: Ag # 5 coordinates: [ 0.722462480000000, 0.861231230000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 5 - symbol: Ag # 6 coordinates: [ 0.138768770000000, 0.861231230000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 6 - symbol: P # 7 coordinates: [ 0.829115450000000, 0.658230920000000, 0.666666670000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 8 coordinates: [ 0.341769080000000, 0.170884550000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 9 coordinates: [ 0.829115450000000, 0.170884550000000, 0.333333330000000 ] mass: 30.973762 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.681364170000000, 0.318635830000000, 0.833333330000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.681364170000000, 0.362728330000000, 0.166666670000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.637271670000000, 0.318635830000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.081210040000000, 0.821597500000000, 0.589236530000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.178402500000000, 0.259612530000000, 0.922569860000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.740387470000000, 0.918789960000000, 0.255903200000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.740387470000000, 0.821597500000000, 0.744096800000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.081210040000000, 0.259612530000000, 0.410763470000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.178402500000000, 0.918789960000000, 0.077430140000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.862439560000000, 0.497710600000000, 0.792945890000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.502289400000000, 0.364728960000000, 0.126279220000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.635271040000000, 0.137560440000000, 0.459612560000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.635271040000000, 0.497710600000000, 0.540387440000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.862439560000000, 0.364728960000000, 0.207054110000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.502289400000000, 0.137560440000000, 0.873720780000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 12.762033960000000, 0.000000000000000, 0.000000000000000 ] # a - [ -6.381017000000000, 11.052245620000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.323184749999999 ] # c points: - symbol: Ag # 1 coordinates: [ 0.199869240000000, 0.399738485000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 2 coordinates: [ 0.699869240000000, 0.399738485000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 3 coordinates: [ 0.199869240000000, 0.899738485000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 4 coordinates: [ 0.699869240000000, 0.899738485000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 5 coordinates: [ 0.100261515000000, 0.300130760000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 5 - symbol: Ag # 6 coordinates: [ 0.600261515000000, 0.300130760000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 5 - symbol: Ag # 7 coordinates: [ 0.100261515000000, 0.800130760000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 5 - symbol: Ag # 8 coordinates: [ 0.600261515000000, 0.800130760000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 5 - symbol: Ag # 9 coordinates: [ 0.199869240000000, 0.300130760000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 9 - symbol: Ag # 10 coordinates: [ 0.699869240000000, 0.300130760000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 9 - symbol: Ag # 11 coordinates: [ 0.199869240000000, 0.800130760000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 9 - symbol: Ag # 12 coordinates: [ 0.699869240000000, 0.800130760000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 9 - symbol: Ag # 13 coordinates: [ 0.069384385000000, 0.138768760000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 13 - symbol: Ag # 14 coordinates: [ 0.569384385000000, 0.138768760000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 13 - symbol: Ag # 15 coordinates: [ 0.069384385000000, 0.638768760000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 13 - symbol: Ag # 16 coordinates: [ 0.569384385000000, 0.638768760000000, 0.666666670000000 ] mass: 107.868200 reduced_to: 13 - symbol: Ag # 17 coordinates: [ 0.361231240000000, 0.430615615000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 18 coordinates: [ 0.861231240000000, 0.430615615000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 19 coordinates: [ 0.361231240000000, 0.930615615000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 20 coordinates: [ 0.861231240000000, 0.930615615000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 21 coordinates: [ 0.069384385000000, 0.430615615000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 22 coordinates: [ 0.569384385000000, 0.430615615000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 23 coordinates: [ 0.069384385000000, 0.930615615000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 24 coordinates: [ 0.569384385000000, 0.930615615000000, 0.333333330000000 ] mass: 107.868200 reduced_to: 21 - symbol: P # 25 coordinates: [ 0.414557725000000, 0.329115460000000, 0.666666670000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.914557725000000, 0.329115460000000, 0.666666670000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 27 coordinates: [ 0.414557725000000, 0.829115460000000, 0.666666670000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 28 coordinates: [ 0.914557725000000, 0.829115460000000, 0.666666670000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 29 coordinates: [ 0.170884540000000, 0.085442275000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.670884540000000, 0.085442275000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 31 coordinates: [ 0.170884540000000, 0.585442275000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 32 coordinates: [ 0.670884540000000, 0.585442275000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 33 coordinates: [ 0.414557725000000, 0.085442275000000, 0.333333330000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.914557725000000, 0.085442275000000, 0.333333330000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 35 coordinates: [ 0.414557725000000, 0.585442275000000, 0.333333330000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 36 coordinates: [ 0.914557725000000, 0.585442275000000, 0.333333330000000 ] mass: 30.973762 reduced_to: 33 - symbol: H # 37 coordinates: [ 0.340682085000000, 0.159317915000000, 0.833333330000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.840682085000000, 0.159317915000000, 0.833333330000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.340682085000000, 0.659317915000000, 0.833333330000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.840682085000000, 0.659317915000000, 0.833333330000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.340682085000000, 0.181364165000000, 0.166666670000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.840682085000000, 0.181364165000000, 0.166666670000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.340682085000000, 0.681364165000000, 0.166666670000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 44 coordinates: [ 0.840682085000000, 0.681364165000000, 0.166666670000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 45 coordinates: [ 0.318635835000000, 0.159317915000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.818635835000000, 0.159317915000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.318635835000000, 0.659317915000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 48 coordinates: [ 0.818635835000000, 0.659317915000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.040605020000000, 0.410798750000000, 0.589236530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.540605020000000, 0.410798750000000, 0.589236530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.040605020000000, 0.910798750000000, 0.589236530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.540605020000000, 0.910798750000000, 0.589236530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.089201250000000, 0.129806265000000, 0.922569860000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.589201250000000, 0.129806265000000, 0.922569860000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.089201250000000, 0.629806265000000, 0.922569860000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.589201250000000, 0.629806265000000, 0.922569860000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.370193735000000, 0.459394980000000, 0.255903200000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.870193735000000, 0.459394980000000, 0.255903200000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.370193735000000, 0.959394980000000, 0.255903200000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.870193735000000, 0.959394980000000, 0.255903200000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.370193735000000, 0.410798750000000, 0.744096800000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.870193735000000, 0.410798750000000, 0.744096800000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.370193735000000, 0.910798750000000, 0.744096800000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.870193735000000, 0.910798750000000, 0.744096800000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.040605020000000, 0.129806265000000, 0.410763470000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.540605020000000, 0.129806265000000, 0.410763470000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.040605020000000, 0.629806265000000, 0.410763470000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.540605020000000, 0.629806265000000, 0.410763470000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.089201250000000, 0.459394980000000, 0.077430140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.589201250000000, 0.459394980000000, 0.077430140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.089201250000000, 0.959394980000000, 0.077430140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.589201250000000, 0.959394980000000, 0.077430140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.431219780000000, 0.248855300000000, 0.792945890000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.931219780000000, 0.248855300000000, 0.792945890000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.431219780000000, 0.748855300000000, 0.792945890000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.931219780000000, 0.748855300000000, 0.792945890000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.251144700000000, 0.182364480000000, 0.126279220000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.751144700000000, 0.182364480000000, 0.126279220000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.251144700000000, 0.682364480000000, 0.126279220000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.751144700000000, 0.682364480000000, 0.126279220000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.317635520000000, 0.068780220000000, 0.459612560000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.817635520000000, 0.068780220000000, 0.459612560000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.317635520000000, 0.568780220000000, 0.459612560000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.817635520000000, 0.568780220000000, 0.459612560000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.317635520000000, 0.248855300000000, 0.540387440000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.817635520000000, 0.248855300000000, 0.540387440000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.317635520000000, 0.748855300000000, 0.540387440000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.817635520000000, 0.748855300000000, 0.540387440000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.431219780000000, 0.182364480000000, 0.207054110000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.931219780000000, 0.182364480000000, 0.207054110000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.431219780000000, 0.682364480000000, 0.207054110000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.931219780000000, 0.682364480000000, 0.207054110000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.251144700000000, 0.068780220000000, 0.873720780000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.751144700000000, 0.068780220000000, 0.873720780000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.251144700000000, 0.568780220000000, 0.873720780000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.751144700000000, 0.568780220000000, 0.873720780000000 ] mass: 15.999400 reduced_to: 93born_effective_charge:- # 1 (Ag) - [ 1.618900070000000, 0.000000000000000, 0.194877600000000 ] - [ 0.000000000000000, 1.184767720000000, 0.000000000000000 ] - [ 0.033122350000000, 0.000000000000000, 1.097870340000000 ]- # 2 (Ag) - [ 1.293300807500000, -0.187984821376742, -0.097438799694598 ] - [ -0.187984822327896, 1.510366982500000, 0.168768952126534 ] - [ -0.016561175051908, 0.028684796550377, 1.097870340000000 ]- # 3 (Ag) - [ 1.293300807500000, 0.187984822555142, -0.097438800305402 ] - [ 0.187984821149495, 1.510366982500000, -0.168768952126534 ] - [ -0.016561174948092, -0.028684796550377, 1.097870340000000 ]- # 4 (Ag) - [ 1.088796430000000, 0.000000000000000, 0.189427430000000 ] - [ -0.000000000000000, 1.106703340000000, 0.000000000000000 ] - [ 0.097732440000000, 0.000000000000000, 1.559475020000000 ]- # 5 (Ag) - [ 1.102226612500000, 0.007753919462024, -0.094713714703139 ] - [ 0.007753919501257, 1.093273157500000, 0.164048966454443 ] - [ -0.048866220153161, 0.084638775864996, 1.559475020000000 ]- # 6 (Ag) - [ 1.102226612500000, -0.007753919510630, -0.094713715296861 ] - [ -0.007753919452651, 1.093273157500000, -0.164048966454443 ] - [ -0.048866219846839, -0.084638775864996, 1.559475020000000 ]- # 7 (P) - [ 4.042639600000000, 0.000000000000000, -0.275319790000000 ] - [ 0.000000000000000, 2.975271150000000, -0.000000000000000 ] - [ -0.320927960000000, 0.000000000000000, 3.309155220000000 ]- # 8 (P) - [ 3.242113262500000, -0.462184095279745, 0.137659894568533 ] - [ -0.462184097618275, 3.775797487500000, -0.238433932160481 ] - [ 0.160463980502942, -0.277931766312706, 3.309155220000000 ]- # 9 (P) - [ 3.242113262500000, 0.462184098176989, 0.137659895431467 ] - [ 0.462184094721031, 3.775797487500000, 0.238433932160481 ] - [ 0.160463979497058, 0.277931766312706, 3.309155220000000 ]- # 10 (H) - [ 0.816556120000000, 0.916998890000000, -0.349953540000000 ] - [ 0.916998890000000, 1.875415240000000, -0.606137310000000 ] - [ -0.575628220000000, -0.997017320000000, 0.689029100000000 ]- # 11 (H) - [ 2.404844793982132, 0.000000000046012, 0.699907078410417 ] - [ 0.000000006902823, 0.287126566017868, 0.000000000348796 ] - [ 1.151256437513285, -0.000000003519004, 0.689029100000000 ]- # 12 (H) - [ 0.816556126017868, -0.916998894582937, -0.349953538410417 ] - [ -0.916998892365899, 1.875415233982132, 0.606137309651204 ] - [ -0.575628217513285, 0.997017323519004, 0.689029100000000 ]- # 13 (O) - [ -2.191032630000000, -0.562642180000000, 0.633066850000000 ] - [ -0.062850370000000, -1.409909860000000, 0.273028150000000 ] - [ 0.455304680000000, 0.392837660000000, -1.567675990000000 ]- # 14 (O) - [ -1.876036770779833, 0.244713313730268, -0.552982737999075 ] - 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