# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/819e40b1-2142-498c-9328-89f96d347860/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 NaSmGeO4 / Pnma (62) / materials id 555904](https://mdr.nims.go.jp/datasets/e6044692-88b3-4123-b6df-f2e0b4bd5e73) ## 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, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 11.617479230000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.562930370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.312846590000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Sm # 5 coordinates: [ 0.278521350000000, 0.250000000000000, 0.503253090000000 ] mass: 150.360000 - symbol: Sm # 6 coordinates: [ 0.721478650000000, 0.750000000000000, 0.496746910000000 ] mass: 150.360000 - symbol: Sm # 7 coordinates: [ 0.778521350000000, 0.250000000000000, 0.996746910000000 ] mass: 150.360000 - symbol: Sm # 8 coordinates: [ 0.221478650000000, 0.750000000000000, 0.003253090000000 ] mass: 150.360000 - symbol: Ge # 9 coordinates: [ 0.904213500000000, 0.750000000000000, 0.057662760000000 ] mass: 72.640000 - 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symbol: O # 20 coordinates: [ 0.043961690000000, 0.750000000000000, 0.181094640000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.171479980000000, 0.455400400000000, 0.791997840000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.828520020000000, 0.544599600000000, 0.208002160000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.456038310000000, 0.250000000000000, 0.681094640000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.328520020000000, 0.955400400000000, 0.291997840000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.956038310000000, 0.250000000000000, 0.818905360000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.108651500000000, 0.250000000000000, 0.268072390000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.828520020000000, 0.955400400000000, 0.208002160000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.671479980000000, 0.044599600000000, 0.708002160000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.086077192840396, 0.000000000000000, 0.000000000000000 ] # a* - 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symbol: O # 16 coordinates: [ 0.608651500000000, 0.250000000000000, 0.231927610000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.891348500000000, 0.750000000000000, 0.731927610000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.391348500000000, 0.750000000000000, 0.768072390000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.543961690000000, 0.750000000000000, 0.318905360000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.043961690000000, 0.750000000000000, 0.181094640000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.171479980000000, 0.455400400000000, 0.791997840000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.828520020000000, 0.544599600000000, 0.208002160000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.456038310000000, 0.250000000000000, 0.681094640000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.328520020000000, 0.955400400000000, 0.291997840000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.956038310000000, 0.250000000000000, 0.818905360000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.108651500000000, 0.250000000000000, 0.268072390000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.828520020000000, 0.955400400000000, 0.208002160000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.671479980000000, 0.044599600000000, 0.708002160000000 ] mass: 15.999400 reduced_to: 28supercell: lattice: - [ 11.617479230000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.125860740000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.625693180000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 8 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Sm # 17 coordinates: [ 0.278521350000000, 0.125000000000000, 0.251626545000000 ] mass: 150.360000 reduced_to: 17 - symbol: Sm # 18 coordinates: [ 0.278521350000000, 0.625000000000000, 0.251626545000000 ] mass: 150.360000 reduced_to: 17 - symbol: Sm # 19 coordinates: [ 0.278521350000000, 0.125000000000000, 0.751626545000000 ] mass: 150.360000 reduced_to: 17 - symbol: Sm # 20 coordinates: [ 0.278521350000000, 0.625000000000000, 0.751626545000000 ] mass: 150.360000 reduced_to: 17 - symbol: Sm # 21 coordinates: [ 0.721478650000000, 0.375000000000000, 0.248373455000000 ] mass: 150.360000 reduced_to: 21 - 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symbol: Sm # 31 coordinates: [ 0.221478650000000, 0.375000000000000, 0.501626545000000 ] mass: 150.360000 reduced_to: 29 - symbol: Sm # 32 coordinates: [ 0.221478650000000, 0.875000000000000, 0.501626545000000 ] mass: 150.360000 reduced_to: 29 - symbol: Ge # 33 coordinates: [ 0.904213500000000, 0.375000000000000, 0.028831380000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 34 coordinates: [ 0.904213500000000, 0.875000000000000, 0.028831380000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 35 coordinates: [ 0.904213500000000, 0.375000000000000, 0.528831380000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 36 coordinates: [ 0.904213500000000, 0.875000000000000, 0.528831380000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 37 coordinates: [ 0.595786500000000, 0.125000000000000, 0.278831380000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 38 coordinates: [ 0.595786500000000, 0.625000000000000, 0.278831380000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 39 coordinates: [ 0.595786500000000, 0.125000000000000, 0.778831380000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 40 coordinates: [ 0.595786500000000, 0.625000000000000, 0.778831380000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 41 coordinates: [ 0.095786500000000, 0.125000000000000, 0.471168620000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 42 coordinates: [ 0.095786500000000, 0.625000000000000, 0.471168620000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 43 coordinates: [ 0.095786500000000, 0.125000000000000, 0.971168620000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 44 coordinates: [ 0.095786500000000, 0.625000000000000, 0.971168620000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 45 coordinates: [ 0.404213500000000, 0.375000000000000, 0.221168620000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 46 coordinates: [ 0.404213500000000, 0.875000000000000, 0.221168620000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 47 coordinates: [ 0.404213500000000, 0.375000000000000, 0.721168620000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 48 coordinates: [ 0.404213500000000, 0.875000000000000, 0.721168620000000 ] mass: 72.640000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.328520020000000, 0.272299800000000, 0.145998920000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.328520020000000, 0.772299800000000, 0.145998920000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.328520020000000, 0.272299800000000, 0.645998920000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.328520020000000, 0.772299800000000, 0.645998920000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.671479980000000, 0.227700200000000, 0.354001080000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.671479980000000, 0.727700200000000, 0.354001080000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.671479980000000, 0.227700200000000, 0.854001080000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.671479980000000, 0.727700200000000, 0.854001080000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.171479980000000, 0.022299800000000, 0.395998920000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.171479980000000, 0.522299800000000, 0.395998920000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.171479980000000, 0.022299800000000, 0.895998920000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.171479980000000, 0.522299800000000, 0.895998920000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.608651500000000, 0.125000000000000, 0.115963805000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.608651500000000, 0.625000000000000, 0.115963805000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.608651500000000, 0.125000000000000, 0.615963805000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.608651500000000, 0.625000000000000, 0.615963805000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.891348500000000, 0.375000000000000, 0.365963805000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.891348500000000, 0.875000000000000, 0.365963805000000 ] mass: 15.999400 reduced_to: 65 - 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symbol: O # 76 coordinates: [ 0.543961690000000, 0.875000000000000, 0.659452680000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.043961690000000, 0.375000000000000, 0.090547320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.043961690000000, 0.875000000000000, 0.090547320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.043961690000000, 0.375000000000000, 0.590547320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.043961690000000, 0.875000000000000, 0.590547320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.171479980000000, 0.227700200000000, 0.395998920000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.171479980000000, 0.727700200000000, 0.395998920000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.171479980000000, 0.227700200000000, 0.895998920000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.171479980000000, 0.727700200000000, 0.895998920000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.828520020000000, 0.272299800000000, 0.104001080000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.828520020000000, 0.772299800000000, 0.104001080000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.828520020000000, 0.272299800000000, 0.604001080000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.828520020000000, 0.772299800000000, 0.604001080000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.456038310000000, 0.125000000000000, 0.340547320000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.456038310000000, 0.625000000000000, 0.340547320000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.456038310000000, 0.125000000000000, 0.840547320000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.456038310000000, 0.625000000000000, 0.840547320000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.328520020000000, 0.477700200000000, 0.145998920000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.328520020000000, 0.977700200000000, 0.145998920000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.328520020000000, 0.477700200000000, 0.645998920000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.328520020000000, 0.977700200000000, 0.645998920000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.956038310000000, 0.125000000000000, 0.409452680000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.956038310000000, 0.625000000000000, 0.409452680000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.956038310000000, 0.125000000000000, 0.909452680000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.956038310000000, 0.625000000000000, 0.909452680000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.108651500000000, 0.125000000000000, 0.134036195000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.108651500000000, 0.625000000000000, 0.134036195000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.108651500000000, 0.125000000000000, 0.634036195000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.108651500000000, 0.625000000000000, 0.634036195000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.828520020000000, 0.477700200000000, 0.104001080000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.828520020000000, 0.977700200000000, 0.104001080000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.828520020000000, 0.477700200000000, 0.604001080000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.828520020000000, 0.977700200000000, 0.604001080000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.671479980000000, 0.022299800000000, 0.354001080000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.671479980000000, 0.522299800000000, 0.354001080000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.671479980000000, 0.022299800000000, 0.854001080000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.671479980000000, 0.522299800000000, 0.854001080000000 ] mass: 15.999400 reduced_to: 109born_effective_charge:- # 1 (Na) - [ 1.051125960000000, -0.169372850000000, -0.002034320000000 ] - [ -0.116363300000000, 0.991991870000000, -0.062855460000000 ] - [ -0.011935540000000, -0.039646590000000, 1.205668310000000 ]- # 2 (Na) - [ 1.051125960000000, -0.169372850000000, 0.002034320000000 ] - [ -0.116363300000000, 0.991991870000000, 0.062855460000000 ] - [ 0.011935540000000, 0.039646590000000, 1.205668310000000 ]- # 3 (Na) - [ 1.051125960000000, 0.169372850000000, -0.002034320000000 ] - [ 0.116363300000000, 0.991991870000000, 0.062855460000000 ] - [ -0.011935540000000, 0.039646590000000, 1.205668310000000 ]- # 4 (Na) - [ 1.051125960000000, 0.169372850000000, 0.002034320000000 ] - [ 0.116363300000000, 0.991991870000000, -0.062855460000000 ] - [ 0.011935540000000, -0.039646590000000, 1.205668310000000 ]- # 5 (Sm) - [ 4.164083480000000, 0.000000000000000, 0.142568830000000 ] - [ 0.000000000000000, 4.076333400000000, 0.000000000000000 ] - [ 0.068845320000000, 0.000000000000000, 3.385994890000000 ]- # 6 (Sm) - [ 4.164083480000000, 0.000000000000000, 0.142568830000000 ] - [ 0.000000000000000, 4.076333400000000, 0.000000000000000 ] - [ 0.068845320000000, 0.000000000000000, 3.385994890000000 ]- # 7 (Sm) - [ 4.164083480000000, 0.000000000000000, -0.142568830000000 ] - [ 0.000000000000000, 4.076333400000000, 0.000000000000000 ] - [ -0.068845320000000, 0.000000000000000, 3.385994890000000 ]- # 8 (Sm) - [ 4.164083480000000, 0.000000000000000, -0.142568830000000 ] - [ 0.000000000000000, 4.076333400000000, 0.000000000000000 ] - [ -0.068845320000000, 0.000000000000000, 3.385994890000000 ]- # 9 (Ge) - [ 3.327224680000000, 0.000000000000000, 0.195305100000000 ] - [ 0.000000000000000, 2.935676530000000, 0.000000000000000 ] - [ -0.160014600000000, 0.000000000000000, 2.926897320000000 ]- # 10 (Ge) - [ 3.327224680000000, 0.000000000000000, -0.195305100000000 ] - [ 0.000000000000000, 2.935676530000000, 0.000000000000000 ] - [ 0.160014600000000, 0.000000000000000, 2.926897320000000 ]- # 11 (Ge) - [ 3.327224680000000, 0.000000000000000, 0.195305100000000 ] - [ 0.000000000000000, 2.935676530000000, 0.000000000000000 ] - [ -0.160014600000000, 0.000000000000000, 2.926897320000000 ]- # 12 (Ge) - [ 3.327224680000000, 0.000000000000000, -0.195305100000000 ] - [ 0.000000000000000, 2.935676530000000, 0.000000000000000 ] - [ 0.160014600000000, 0.000000000000000, 2.926897320000000 ]- # 13 (O) - [ -1.716579270000000, -0.288870450000000, -0.341499950000000 ] - [ -0.352589400000000, -2.670142410000000, 0.418749530000000 ] - [ -0.422883360000000, 0.328856480000000, -1.854099780000000 ]- # 14 (O) - [ -1.716579270000000, -0.288870450000000, -0.341499950000000 ] - [ -0.352589400000000, -2.670142410000000, 0.418749530000000 ] - [ -0.422883360000000, 0.328856480000000, -1.854099780000000 ]- # 15 (O) - [ -1.716579270000000, 0.288870450000000, 0.341499950000000 ] - [ 0.352589400000000, -2.670142410000000, 0.418749530000000 ] - [ 0.422883360000000, 0.328856480000000, -1.854099780000000 ]- # 16 (O) - [ -1.908616240000000, 0.000000000000000, 0.534748690000000 ] - [ 0.000000000000000, -1.309926280000000, 0.000000000000000 ] - [ 0.618696420000000, 0.000000000000000, -2.429390560000000 ]- # 17 (O) - [ -1.908616240000000, 0.000000000000000, -0.534748690000000 ] - [ 0.000000000000000, -1.309926280000000, 0.000000000000000 ] - [ -0.618696420000000, 0.000000000000000, -2.429390560000000 ]- # 18 (O) - [ -1.908616240000000, 0.000000000000000, 0.534748690000000 ] - [ 0.000000000000000, -1.309926280000000, 0.000000000000000 ] - [ 0.618696420000000, 0.000000000000000, -2.429390560000000 ]- # 19 (O) - [ -3.200659320000000, 0.000000000000000, -0.076547300000000 ] - [ 0.000000000000000, -1.353790690000000, 0.000000000000000 ] - [ -0.155950560000000, 0.000000000000000, -1.380970400000000 ]- # 20 (O) - [ -3.200659320000000, 0.000000000000000, 0.076547300000000 ] - [ 0.000000000000000, -1.353790690000000, 0.000000000000000 ] - [ 0.155950560000000, 0.000000000000000, -1.380970400000000 ]- # 21 (O) - 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