# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0b31083e-2ef5-4a5c-9af1-3cda897e24a1/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 Na3CuO2 / P4_2/mnm (136) / materials id 755401](https://mdr.nims.go.jp/datasets/dee1d4ad-c346-4365-9cbe-340fe837f6bc) ## 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: "P4_2/mnm" number: 136 Hall_symbol: "-P 4n 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 9.381224370000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.381224370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.560103100000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.477589820000000, 0.154311990000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.654311990000000, 0.022410180000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.645886920000000, 0.354113080000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.854113080000000, 0.854113080000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.845688010000000, 0.522410180000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.022410180000000, 0.654311990000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.977589820000000, 0.345688010000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.154311990000000, 0.477589820000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.145886920000000, 0.145886920000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.354113080000000, 0.645886920000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.345688010000000, 0.977589820000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.522410180000000, 0.845688010000000, 0.500000000000000 ] mass: 22.989769 - symbol: Cu # 13 coordinates: [ 0.672054450000000, 0.672054450000000, 0.000000000000000 ] mass: 63.546000 - symbol: Cu # 14 coordinates: [ 0.827945550000000, 0.172054450000000, 0.500000000000000 ] mass: 63.546000 - symbol: Cu # 15 coordinates: [ 0.172054450000000, 0.827945550000000, 0.500000000000000 ] mass: 63.546000 - symbol: Cu # 16 coordinates: [ 0.327945550000000, 0.327945550000000, 0.000000000000000 ] mass: 63.546000 - symbol: O # 17 coordinates: [ 0.533937140000000, 0.803247340000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.696752660000000, 0.033937140000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.803247340000000, 0.533937140000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.966062860000000, 0.303247340000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.033937140000000, 0.696752660000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.196752660000000, 0.466062860000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.303247340000000, 0.966062860000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.466062860000000, 0.196752660000000, 0.000000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.106595894156191, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.106595894156191, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.219293287469750 ] # c*unit_cell: lattice: - [ 9.381224370000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.381224370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.560103100000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.477589820000000, 0.154311990000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.654311990000000, 0.022410180000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.645886920000000, 0.354113080000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.854113080000000, 0.854113080000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.845688010000000, 0.522410180000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.022410180000000, 0.654311990000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.977589820000000, 0.345688010000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.154311990000000, 0.477589820000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.145886920000000, 0.145886920000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.354113080000000, 0.645886920000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.345688010000000, 0.977589820000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.522410180000000, 0.845688010000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 12 - symbol: Cu # 13 coordinates: [ 0.672054450000000, 0.672054450000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 14 coordinates: [ 0.827945550000000, 0.172054450000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 14 - symbol: Cu # 15 coordinates: [ 0.172054450000000, 0.827945550000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 15 - symbol: Cu # 16 coordinates: [ 0.327945550000000, 0.327945550000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.533937140000000, 0.803247340000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.696752660000000, 0.033937140000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.803247340000000, 0.533937140000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.966062860000000, 0.303247340000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.033937140000000, 0.696752660000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.196752660000000, 0.466062860000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.303247340000000, 0.966062860000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.466062860000000, 0.196752660000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 9.381224370000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.381224370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.680309300000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.477589820000000, 0.154311990000000, 0.166666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.477589820000000, 0.154311990000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.477589820000000, 0.154311990000000, 0.833333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.654311990000000, 0.022410180000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.654311990000000, 0.022410180000000, 0.333333333333333 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 6 coordinates: [ 0.654311990000000, 0.022410180000000, 0.666666666666667 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 7 coordinates: [ 0.645886920000000, 0.354113080000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.645886920000000, 0.354113080000000, 0.333333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.645886920000000, 0.354113080000000, 0.666666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 10 coordinates: [ 0.854113080000000, 0.854113080000000, 0.166666666666667 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.854113080000000, 0.854113080000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 12 coordinates: [ 0.854113080000000, 0.854113080000000, 0.833333333333333 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 13 coordinates: [ 0.845688010000000, 0.522410180000000, 0.166666666666667 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.845688010000000, 0.522410180000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.845688010000000, 0.522410180000000, 0.833333333333333 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 16 coordinates: [ 0.022410180000000, 0.654311990000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.022410180000000, 0.654311990000000, 0.333333333333333 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 18 coordinates: [ 0.022410180000000, 0.654311990000000, 0.666666666666667 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 19 coordinates: [ 0.977589820000000, 0.345688010000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.977589820000000, 0.345688010000000, 0.333333333333333 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 21 coordinates: [ 0.977589820000000, 0.345688010000000, 0.666666666666667 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 22 coordinates: [ 0.154311990000000, 0.477589820000000, 0.166666666666667 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.154311990000000, 0.477589820000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 24 coordinates: [ 0.154311990000000, 0.477589820000000, 0.833333333333333 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 25 coordinates: [ 0.145886920000000, 0.145886920000000, 0.166666666666667 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.145886920000000, 0.145886920000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 27 coordinates: [ 0.145886920000000, 0.145886920000000, 0.833333333333333 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 28 coordinates: [ 0.354113080000000, 0.645886920000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.354113080000000, 0.645886920000000, 0.333333333333333 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 30 coordinates: [ 0.354113080000000, 0.645886920000000, 0.666666666666667 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 31 coordinates: [ 0.345688010000000, 0.977589820000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.345688010000000, 0.977589820000000, 0.333333333333333 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 33 coordinates: [ 0.345688010000000, 0.977589820000000, 0.666666666666667 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 34 coordinates: [ 0.522410180000000, 0.845688010000000, 0.166666666666667 ] mass: 22.989769 reduced_to: 34 - symbol: Na # 35 coordinates: [ 0.522410180000000, 0.845688010000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 34 - symbol: Na # 36 coordinates: [ 0.522410180000000, 0.845688010000000, 0.833333333333333 ] mass: 22.989769 reduced_to: 34 - symbol: Cu # 37 coordinates: [ 0.672054450000000, 0.672054450000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 38 coordinates: [ 0.672054450000000, 0.672054450000000, 0.333333333333333 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 39 coordinates: [ 0.672054450000000, 0.672054450000000, 0.666666666666667 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 40 coordinates: [ 0.827945550000000, 0.172054450000000, 0.166666666666667 ] mass: 63.546000 reduced_to: 40 - symbol: Cu # 41 coordinates: [ 0.827945550000000, 0.172054450000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 40 - symbol: Cu # 42 coordinates: [ 0.827945550000000, 0.172054450000000, 0.833333333333333 ] mass: 63.546000 reduced_to: 40 - symbol: Cu # 43 coordinates: [ 0.172054450000000, 0.827945550000000, 0.166666666666667 ] mass: 63.546000 reduced_to: 43 - symbol: Cu # 44 coordinates: [ 0.172054450000000, 0.827945550000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 43 - symbol: Cu # 45 coordinates: [ 0.172054450000000, 0.827945550000000, 0.833333333333333 ] mass: 63.546000 reduced_to: 43 - symbol: Cu # 46 coordinates: [ 0.327945550000000, 0.327945550000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 46 - symbol: Cu # 47 coordinates: [ 0.327945550000000, 0.327945550000000, 0.333333333333333 ] mass: 63.546000 reduced_to: 46 - symbol: Cu # 48 coordinates: [ 0.327945550000000, 0.327945550000000, 0.666666666666667 ] mass: 63.546000 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.533937140000000, 0.803247340000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.533937140000000, 0.803247340000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.533937140000000, 0.803247340000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.696752660000000, 0.033937140000000, 0.166666666666667 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.696752660000000, 0.033937140000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.696752660000000, 0.033937140000000, 0.833333333333333 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.803247340000000, 0.533937140000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.803247340000000, 0.533937140000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.803247340000000, 0.533937140000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.966062860000000, 0.303247340000000, 0.166666666666667 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.966062860000000, 0.303247340000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.966062860000000, 0.303247340000000, 0.833333333333333 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.033937140000000, 0.696752660000000, 0.166666666666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.033937140000000, 0.696752660000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.033937140000000, 0.696752660000000, 0.833333333333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.196752660000000, 0.466062860000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.196752660000000, 0.466062860000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.196752660000000, 0.466062860000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.303247340000000, 0.966062860000000, 0.166666666666667 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.303247340000000, 0.966062860000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.303247340000000, 0.966062860000000, 0.833333333333333 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.466062860000000, 0.196752660000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.466062860000000, 0.196752660000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.466062860000000, 0.196752660000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 70born_effective_charge:- # 1 (Na) - [ 1.065471470000000, -0.017264350000000, 0.000000000000000 ] - [ 0.033008650000000, 0.897581330000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.043976950000000 ]- # 2 (Na) - [ 0.897581330000000, -0.033008650000000, 0.000000000000000 ] - [ 0.017264350000000, 1.065471470000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.043976950000000 ]- # 3 (Na) - [ 1.115236950000000, 0.022929180000000, 0.000000000000000 ] - [ 0.022929180000000, 1.115236950000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.914618570000000 ]- # 4 (Na) - [ 1.115236950000000, -0.022929180000000, 0.000000000000000 ] - [ -0.022929180000000, 1.115236950000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.914618570000000 ]- # 5 (Na) - [ 0.897581330000000, 0.033008650000000, 0.000000000000000 ] - [ -0.017264350000000, 1.065471470000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.043976950000000 ]- # 6 (Na) - [ 1.065471470000000, 0.017264350000000, 0.000000000000000 ] - [ -0.033008650000000, 0.897581330000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.043976950000000 ]- # 7 (Na) - [ 1.065471470000000, 0.017264350000000, 0.000000000000000 ] - [ -0.033008650000000, 0.897581330000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.043976950000000 ]- # 8 (Na) - [ 0.897581330000000, 0.033008650000000, 0.000000000000000 ] - [ -0.017264350000000, 1.065471470000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.043976950000000 ]- # 9 (Na) - [ 1.115236950000000, -0.022929180000000, 0.000000000000000 ] - [ -0.022929180000000, 1.115236950000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.914618570000000 ]- # 10 (Na) - [ 1.115236950000000, 0.022929180000000, 0.000000000000000 ] - [ 0.022929180000000, 1.115236950000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.914618570000000 ]- # 11 (Na) - [ 0.897581330000000, -0.033008650000000, 0.000000000000000 ] - [ 0.017264350000000, 1.065471470000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.043976950000000 ]- # 12 (Na) - [ 1.065471470000000, -0.017264350000000, 0.000000000000000 ] - [ 0.033008650000000, 0.897581330000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.043976950000000 ]- # 13 (Cu) - [ 0.354239230000000, -1.358280750000000, 0.000000000000000 ] - [ -1.358280750000000, 0.354239230000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.025905440000000 ]- # 14 (Cu) - [ 0.354239230000000, 1.358280750000000, 0.000000000000000 ] - [ 1.358280750000000, 0.354239230000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.025905440000000 ]- # 15 (Cu) - [ 0.354239230000000, 1.358280750000000, 0.000000000000000 ] - [ 1.358280750000000, 0.354239230000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.025905440000000 ]- # 16 (Cu) - [ 0.354239230000000, -1.358280750000000, 0.000000000000000 ] - [ -1.358280750000000, 0.354239230000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.025905440000000 ]- # 17 (O) - [ -1.795388990000000, 0.719149240000000, 0.000000000000000 ] - [ 0.706642800000000, -1.637139990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.988333510000000 ]- # 18 (O) - [ -1.637139990000000, -0.706642800000000, 0.000000000000000 ] - [ -0.719149240000000, -1.795388990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.988333510000000 ]- # 19 (O) - [ -1.637139990000000, 0.706642800000000, 0.000000000000000 ] - [ 0.719149240000000, -1.795388990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.988333510000000 ]- # 20 (O) - [ -1.795388990000000, -0.719149240000000, 0.000000000000000 ] - [ -0.706642800000000, -1.637139990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.988333510000000 ]- # 21 (O) - [ -1.795388990000000, -0.719149240000000, 0.000000000000000 ] - [ -0.706642800000000, -1.637139990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.988333510000000 ]- # 22 (O) - [ -1.637139990000000, 0.706642800000000, 0.000000000000000 ] - [ 0.719149240000000, -1.795388990000000, 0.000000000000000 ] - 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