# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c8b7d79d-1043-40de-8c5c-c494729c80d3/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 K2SnO3 / Pnma (62) / materials id 17730](https://mdr.nims.go.jp/datasets/7f32f527-2611-43ad-9872-6f1820adc6cc) ## 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: - \[ 2, 0, 0 \] - \[ 0, 1, 0 \] - \[ 0, 0, 2 \] primitive\_cell: lattice: - \[ 5.775221390000000, 0.000000000000000, 0.000000000000000 \] # a - \[ 0.000000000000000, 10.427573430000001, 0.000000000000000 \] # b - \[ 0.000000000000000, 0.000000000000000, 7.057479400000000 \] # c points: - symbol: O # 1 coordinates: \[ 0.992102160000000, 0.620772930000000, 0.724835730000000 \] mass: 15.999400 - symbol: O # 2 coordinates: \[ 0.492102160000000, 0.879227070000000, 0.775164270000000 \] mass: 15.999400 - symbol: O # 3 coordinates: \[ 0.507897840000000, 0.379227070000000, 0.224835730000000 \] mass: 15.999400 - symbol: O # 4 coordinates: \[ 0.007897840000000, 0.120772930000000, 0.275164270000000 \] mass: 15.999400 - symbol: O # 5 coordinates: \[ 0.007897840000000, 0.379227070000000, 0.275164270000000 \] mass: 15.999400 - symbol: O # 6 coordinates: \[ 0.507897840000000, 0.120772930000000, 0.224835730000000 \] mass: 15.999400 - symbol: O # 7 coordinates: \[ 0.492102160000000, 0.620772930000000, 0.775164270000000 \] mass: 15.999400 - symbol: O # 8 coordinates: \[ 0.992102160000000, 0.879227070000000, 0.724835730000000 \] mass: 15.999400 - symbol: O # 9 coordinates: \[ 0.344272350000000, 0.250000000000000, 0.608306090000000 \] mass: 15.999400 - symbol: O # 10 coordinates: \[ 0.655727650000000, 0.750000000000000, 0.391693910000000 \] mass: 15.999400 - symbol: O # 11 coordinates: \[ 0.155727650000000, 0.750000000000000, 0.108306090000000 \] mass: 15.999400 - symbol: O # 12 coordinates: \[ 0.844272350000000, 0.250000000000000, 0.891693910000000 \] mass: 15.999400 - symbol: K # 13 coordinates: \[ 0.233649530000000, 0.412169170000000, 0.887148600000000 \] mass: 39.098300 - symbol: K # 14 coordinates: \[ 0.766350470000000, 0.587830830000000, 0.112851400000000 \] mass: 39.098300 - symbol: K # 15 coordinates: \[ 0.233649530000000, 0.087830830000000, 0.887148600000000 \] mass: 39.098300 - symbol: K # 16 coordinates: \[ 0.733649530000000, 0.412169170000000, 0.612851400000000 \] mass: 39.098300 - symbol: K # 17 coordinates: \[ 0.266350470000000, 0.587830830000000, 0.387148600000000 \] mass: 39.098300 - symbol: K # 18 coordinates: \[ 0.766350470000000, 0.912169170000000, 0.112851400000000 \] mass: 39.098300 - symbol: K # 19 coordinates: \[ 0.733649530000000, 0.087830830000000, 0.612851400000000 \] mass: 39.098300 - symbol: K # 20 coordinates: \[ 0.266350470000000, 0.912169170000000, 0.387148600000000 \] mass: 39.098300 - symbol: Sn # 21 coordinates: \[ 0.730578830000000, 0.750000000000000, 0.659761500000000 \] mass: 118.710000 - symbol: Sn # 22 coordinates: \[ 0.230578830000000, 0.750000000000000, 0.840238500000000 \] mass: 118.710000 - symbol: Sn # 23 coordinates: \[ 0.769421170000000, 0.250000000000000, 0.159761500000000 \] mass: 118.710000 - symbol: Sn # 24 coordinates: \[ 0.269421170000000, 0.250000000000000, 0.340238500000000 \] mass: 118.710000 reciprocal\_lattice: # without 2pi - \[ 0.173153535158243, 0.000000000000000, 0.000000000000000 \] # a\* - \[ 0.000000000000000, 0.095899588405008, 0.000000000000000 \] # b\* - \[ 0.000000000000000, 0.000000000000000, 0.141693647734912 \] # c\* unit\_cell: lattice: - \[ 5.775221390000000, 0.000000000000000, 0.000000000000000 \] # a - \[ 0.000000000000000, 10.427573430000001, 0.000000000000000 \] # b - \[ 0.000000000000000, 0.000000000000000, 7.057479400000000 \] # c points: - symbol: O # 1 coordinates: \[ 0.992102160000000, 0.620772930000000, 0.724835730000000 \] mass: 15.999400 reduced\_to: 1 - symbol: O # 2 coordinates: \[ 0.492102160000000, 0.879227070000000, 0.775164270000000 \] mass: 15.999400 reduced\_to: 2 - symbol: O # 3 coordinates: \[ 0.507897840000000, 0.379227070000000, 0.224835730000000 \] mass: 15.999400 reduced\_to: 3 - symbol: O # 4 coordinates: \[ 0.007897840000000, 0.120772930000000, 0.275164270000000 \] mass: 15.999400 reduced\_to: 4 - symbol: O # 5 coordinates: \[ 0.007897840000000, 0.379227070000000, 0.275164270000000 \] mass: 15.999400 reduced\_to: 5 - symbol: O # 6 coordinates: \[ 0.507897840000000, 0.120772930000000, 0.224835730000000 \] mass: 15.999400 reduced\_to: 6 - symbol: O # 7 coordinates: \[ 0.492102160000000, 0.620772930000000, 0.775164270000000 \] mass: 15.999400 reduced\_to: 7 - symbol: O # 8 coordinates: \[ 0.992102160000000, 0.879227070000000, 0.724835730000000 \] mass: 15.999400 reduced\_to: 8 - symbol: O # 9 coordinates: \[ 0.344272350000000, 0.250000000000000, 0.608306090000000 \] mass: 15.999400 reduced\_to: 9 - symbol: O # 10 coordinates: \[ 0.655727650000000, 0.750000000000000, 0.391693910000000 \] mass: 15.999400 reduced\_to: 10 - symbol: O # 11 coordinates: \[ 0.155727650000000, 0.750000000000000, 0.108306090000000 \] mass: 15.999400 reduced\_to: 11 - symbol: O # 12 coordinates: \[ 0.844272350000000, 0.250000000000000, 0.891693910000000 \] mass: 15.999400 reduced\_to: 12 - symbol: K # 13 coordinates: \[ 0.233649530000000, 0.412169170000000, 0.887148600000000 \] mass: 39.098300 reduced\_to: 13 - symbol: K # 14 coordinates: \[ 0.766350470000000, 0.587830830000000, 0.112851400000000 \] mass: 39.098300 reduced\_to: 14 - symbol: K # 15 coordinates: \[ 0.233649530000000, 0.087830830000000, 0.887148600000000 \] mass: 39.098300 reduced\_to: 15 - symbol: K # 16 coordinates: \[ 0.733649530000000, 0.412169170000000, 0.612851400000000 \] mass: 39.098300 reduced\_to: 16 - symbol: K # 17 coordinates: \[ 0.266350470000000, 0.587830830000000, 0.387148600000000 \] mass: 39.098300 reduced\_to: 17 - symbol: K # 18 coordinates: \[ 0.766350470000000, 0.912169170000000, 0.112851400000000 \] mass: 39.098300 reduced\_to: 18 - symbol: K # 19 coordinates: \[ 0.733649530000000, 0.087830830000000, 0.612851400000000 \] mass: 39.098300 reduced\_to: 19 - symbol: K # 20 coordinates: \[ 0.266350470000000, 0.912169170000000, 0.387148600000000 \] mass: 39.098300 reduced\_to: 20 - symbol: Sn # 21 coordinates: \[ 0.730578830000000, 0.750000000000000, 0.659761500000000 \] mass: 118.710000 reduced\_to: 21 - symbol: Sn # 22 coordinates: \[ 0.230578830000000, 0.750000000000000, 0.840238500000000 \] mass: 118.710000 reduced\_to: 22 - symbol: Sn # 23 coordinates: \[ 0.769421170000000, 0.250000000000000, 0.159761500000000 \] mass: 118.710000 reduced\_to: 23 - symbol: Sn # 24 coordinates: \[ 0.269421170000000, 0.250000000000000, 0.340238500000000 \] mass: 118.710000 reduced\_to: 24 supercell: lattice: - \[ 11.550442779999999, 0.000000000000000, 0.000000000000000 \] # a - \[ 0.000000000000000, 10.427573430000001, 0.000000000000000 \] # b - \[ 0.000000000000000, 0.000000000000000, 14.114958800000000 \] # c points: - symbol: O # 1 coordinates: \[ 0.496051080000000, 0.620772930000000, 0.362417865000000 \] mass: 15.999400 reduced\_to: 1 - symbol: O # 2 coordinates: \[ 0.996051080000000, 0.620772930000000, 0.362417865000000 \] mass: 15.999400 reduced\_to: 1 - symbol: O # 3 coordinates: \[ 0.496051080000000, 0.620772930000000, 0.862417865000000 \] mass: 15.999400 reduced\_to: 1 - symbol: O # 4 coordinates: \[ 0.996051080000000, 0.620772930000000, 0.862417865000000 \] mass: 15.999400 reduced\_to: 1 - symbol: O # 5 coordinates: \[ 0.246051080000000, 0.879227070000000, 0.387582135000000 \] mass: 15.999400 reduced\_to: 5 - symbol: O # 6 coordinates: \[ 0.746051080000000, 0.879227070000000, 0.387582135000000 \] mass: 15.999400 reduced\_to: 5 - symbol: O # 7 coordinates: \[ 0.246051080000000, 0.879227070000000, 0.887582135000000 \] mass: 15.999400 reduced\_to: 5 - symbol: O # 8 coordinates: \[ 0.746051080000000, 0.879227070000000, 0.887582135000000 \] mass: 15.999400 reduced\_to: 5 - symbol: O # 9 coordinates: \[ 0.253948920000000, 0.379227070000000, 0.112417865000000 \] mass: 15.999400 reduced\_to: 9 - symbol: O # 10 coordinates: \[ 0.753948920000000, 0.379227070000000, 0.112417865000000 \] mass: 15.999400 reduced\_to: 9 - symbol: O # 11 coordinates: \[ 0.253948920000000, 0.379227070000000, 0.612417865000000 \] mass: 15.999400 reduced\_to: 9 - symbol: O # 12 coordinates: \[ 0.753948920000000, 0.379227070000000, 0.612417865000000 \] mass: 15.999400 reduced\_to: 9 - symbol: O # 13 coordinates: \[ 0.003948920000000, 0.120772930000000, 0.137582135000000 \] mass: 15.999400 reduced\_to: 13 - symbol: O # 14 coordinates: \[ 0.503948920000000, 0.120772930000000, 0.137582135000000 \] mass: 15.999400 reduced\_to: 13 - symbol: O # 15 coordinates: \[ 0.003948920000000, 0.120772930000000, 0.637582135000000 \] mass: 15.999400 reduced\_to: 13 - symbol: O # 16 coordinates: \[ 0.503948920000000, 0.120772930000000, 0.637582135000000 \] mass: 15.999400 reduced\_to: 13 - symbol: O # 17 coordinates: \[ 0.003948920000000, 0.379227070000000, 0.137582135000000 \] mass: 15.999400 reduced\_to: 17 - symbol: O # 18 coordinates: \[ 0.503948920000000, 0.379227070000000, 0.137582135000000 \] mass: 15.999400 reduced\_to: 17 - symbol: O # 19 coordinates: \[ 0.003948920000000, 0.379227070000000, 0.637582135000000 \] mass: 15.999400 reduced\_to: 17 - symbol: O # 20 coordinates: \[ 0.503948920000000, 0.379227070000000, 0.637582135000000 \] mass: 15.999400 reduced\_to: 17 - symbol: O # 21 coordinates: \[ 0.253948920000000, 0.120772930000000, 0.112417865000000 \] mass: 15.999400 reduced\_to: 21 - symbol: O # 22 coordinates: \[ 0.753948920000000, 0.120772930000000, 0.112417865000000 \] mass: 15.999400 reduced\_to: 21 - symbol: O # 23 coordinates: \[ 0.253948920000000, 0.120772930000000, 0.612417865000000 \] mass: 15.999400 reduced\_to: 21 - symbol: O # 24 coordinates: \[ 0.753948920000000, 0.120772930000000, 0.612417865000000 \] mass: 15.999400 reduced\_to: 21 - symbol: O # 25 coordinates: \[ 0.246051080000000, 0.620772930000000, 0.387582135000000 \] mass: 15.999400 reduced\_to: 25 - symbol: O # 26 coordinates: \[ 0.746051080000000, 0.620772930000000, 0.387582135000000 \] mass: 15.999400 reduced\_to: 25 - symbol: O # 27 coordinates: \[ 0.246051080000000, 0.620772930000000, 0.887582135000000 \] mass: 15.999400 reduced\_to: 25 - symbol: O # 28 coordinates: \[ 0.746051080000000, 0.620772930000000, 0.887582135000000 \] mass: 15.999400 reduced\_to: 25 - symbol: O # 29 coordinates: \[ 0.496051080000000, 0.879227070000000, 0.362417865000000 \] mass: 15.999400 reduced\_to: 29 - symbol: O # 30 coordinates: \[ 0.996051080000000, 0.879227070000000, 0.362417865000000 \] mass: 15.999400 reduced\_to: 29 - symbol: O # 31 coordinates: \[ 0.496051080000000, 0.879227070000000, 0.862417865000000 \] mass: 15.999400 reduced\_to: 29 - symbol: O # 32 coordinates: \[ 0.996051080000000, 0.879227070000000, 0.862417865000000 \] mass: 15.999400 reduced\_to: 29 - symbol: O # 33 coordinates: \[ 0.172136175000000, 0.250000000000000, 0.304153045000000 \] mass: 15.999400 reduced\_to: 33 - symbol: O # 34 coordinates: \[ 0.672136175000000, 0.250000000000000, 0.304153045000000 \] mass: 15.999400 reduced\_to: 33 - symbol: O # 35 coordinates: \[ 0.172136175000000, 0.250000000000000, 0.804153045000000 \] mass: 15.999400 reduced\_to: 33 - symbol: O # 36 coordinates: \[ 0.672136175000000, 0.250000000000000, 0.804153045000000 \] mass: 15.999400 reduced\_to: 33 - symbol: O # 37 coordinates: \[ 0.327863825000000, 0.750000000000000, 0.195846955000000 \] mass: 15.999400 reduced\_to: 37 - symbol: O # 38 coordinates: \[ 0.827863825000000, 0.750000000000000, 0.195846955000000 \] mass: 15.999400 reduced\_to: 37 - symbol: O # 39 coordinates: \[ 0.327863825000000, 0.750000000000000, 0.695846955000000 \] mass: 15.999400 reduced\_to: 37 - symbol: O # 40 coordinates: \[ 0.827863825000000, 0.750000000000000, 0.695846955000000 \] mass: 15.999400 reduced\_to: 37 - symbol: O # 41 coordinates: \[ 0.077863825000000, 0.750000000000000, 0.054153045000000 \] mass: 15.999400 reduced\_to: 41 - symbol: O # 42 coordinates: \[ 0.577863825000000, 0.750000000000000, 0.054153045000000 \] mass: 15.999400 reduced\_to: 41 - symbol: O # 43 coordinates: \[ 0.077863825000000, 0.750000000000000, 0.554153045000000 \] mass: 15.999400 reduced\_to: 41 - symbol: O # 44 coordinates: \[ 0.577863825000000, 0.750000000000000, 0.554153045000000 \] mass: 15.999400 reduced\_to: 41 - symbol: O # 45 coordinates: \[ 0.422136175000000, 0.250000000000000, 0.445846955000000 \] mass: 15.999400 reduced\_to: 45 - symbol: O # 46 coordinates: \[ 0.922136175000000, 0.250000000000000, 0.445846955000000 \] mass: 15.999400 reduced\_to: 45 - symbol: O # 47 coordinates: \[ 0.422136175000000, 0.250000000000000, 0.945846955000000 \] mass: 15.999400 reduced\_to: 45 - symbol: O # 48 coordinates: \[ 0.922136175000000, 0.250000000000000, 0.945846955000000 \] mass: 15.999400 reduced\_to: 45 - symbol: K # 49 coordinates: \[ 0.116824765000000, 0.412169170000000, 0.443574300000000 \] mass: 39.098300 reduced\_to: 49 - symbol: K # 50 coordinates: \[ 0.616824765000000, 0.412169170000000, 0.443574300000000 \] mass: 39.098300 reduced\_to: 49 - symbol: K # 51 coordinates: \[ 0.116824765000000, 0.412169170000000, 0.943574300000000 \] mass: 39.098300 reduced\_to: 49 - symbol: K # 52 coordinates: \[ 0.616824765000000, 0.412169170000000, 0.943574300000000 \] mass: 39.098300 reduced\_to: 49 - symbol: K # 53 coordinates: \[ 0.383175235000000, 0.587830830000000, 0.056425700000000 \] mass: 39.098300 reduced\_to: 53 - symbol: K # 54 coordinates: \[ 0.883175235000000, 0.587830830000000, 0.056425700000000 \] mass: 39.098300 reduced\_to: 53 - symbol: K # 55 coordinates: \[ 0.383175235000000, 0.587830830000000, 0.556425700000000 \] mass: 39.098300 reduced\_to: 53 - symbol: K # 56 coordinates: \[ 0.883175235000000, 0.587830830000000, 0.556425700000000 \] mass: 39.098300 reduced\_to: 53 - symbol: K # 57 coordinates: \[ 0.116824765000000, 0.087830830000000, 0.443574300000000 \] mass: 39.098300 reduced\_to: 57 - symbol: K # 58 coordinates: \[ 0.616824765000000, 0.087830830000000, 0.443574300000000 \] mass: 39.098300 reduced\_to: 57 - symbol: K # 59 coordinates: \[ 0.116824765000000, 0.087830830000000, 0.943574300000000 \] mass: 39.098300 reduced\_to: 57 - symbol: K # 60 coordinates: \[ 0.616824765000000, 0.087830830000000, 0.943574300000000 \] mass: 39.098300 reduced\_to: 57 - symbol: K # 61 coordinates: \[ 0.366824765000000, 0.412169170000000, 0.306425700000000 \] mass: 39.098300 reduced\_to: 61 - symbol: K # 62 coordinates: \[ 0.866824765000000, 0.412169170000000, 0.306425700000000 \] mass: 39.098300 reduced\_to: 61 - symbol: K # 63 coordinates: \[ 0.366824765000000, 0.412169170000000, 0.806425700000000 \] mass: 39.098300 reduced\_to: 61 - symbol: K # 64 coordinates: \[ 0.866824765000000, 0.412169170000000, 0.806425700000000 \] mass: 39.098300 reduced\_to: 61 - symbol: K # 65 coordinates: \[ 0.133175235000000, 0.587830830000000, 0.193574300000000 \] mass: 39.098300 reduced\_to: 65 - symbol: K # 66 coordinates: \[ 0.633175235000000, 0.587830830000000, 0.193574300000000 \] mass: 39.098300 reduced\_to: 65 - symbol: K # 67 coordinates: \[ 0.133175235000000, 0.587830830000000, 0.693574300000000 \] mass: 39.098300 reduced\_to: 65 - symbol: K # 68 coordinates: \[ 0.633175235000000, 0.587830830000000, 0.693574300000000 \] mass: 39.098300 reduced\_to: 65 - symbol: K # 69 coordinates: \[ 0.383175235000000, 0.912169170000000, 0.056425700000000 \] mass: 39.098300 reduced\_to: 69 - symbol: K # 70 coordinates: \[ 0.883175235000000, 0.912169170000000, 0.056425700000000 \] mass: 39.098300 reduced\_to: 69 - symbol: K # 71 coordinates: \[ 0.383175235000000, 0.912169170000000, 0.556425700000000 \] mass: 39.098300 reduced\_to: 69 - symbol: K # 72 coordinates: \[ 0.883175235000000, 0.912169170000000, 0.556425700000000 \] mass: 39.098300 reduced\_to: 69 - symbol: K # 73 coordinates: \[ 0.366824765000000, 0.087830830000000, 0.306425700000000 \] mass: 39.098300 reduced\_to: 73 - symbol: K # 74 coordinates: \[ 0.866824765000000, 0.087830830000000, 0.306425700000000 \] mass: 39.098300 reduced\_to: 73 - symbol: K # 75 coordinates: \[ 0.366824765000000, 0.087830830000000, 0.806425700000000 \] mass: 39.098300 reduced\_to: 73 - symbol: K # 76 coordinates: \[ 0.866824765000000, 0.087830830000000, 0.806425700000000 \] mass: 39.098300 reduced\_to: 73 - symbol: K # 77 coordinates: \[ 0.133175235000000, 0.912169170000000, 0.193574300000000 \] mass: 39.098300 reduced\_to: 77 - symbol: K # 78 coordinates: \[ 0.633175235000000, 0.912169170000000, 0.193574300000000 \] mass: 39.098300 reduced\_to: 77 - symbol: K # 79 coordinates: \[ 0.133175235000000, 0.912169170000000, 0.693574300000000 \] mass: 39.098300 reduced\_to: 77 - symbol: K # 80 coordinates: \[ 0.633175235000000, 0.912169170000000, 0.693574300000000 \] mass: 39.098300 reduced\_to: 77 - symbol: Sn # 81 coordinates: \[ 0.365289415000000, 0.750000000000000, 0.329880750000000 \] mass: 118.710000 reduced\_to: 81 - symbol: Sn # 82 coordinates: \[ 0.865289415000000, 0.750000000000000, 0.329880750000000 \] mass: 118.710000 reduced\_to: 81 - symbol: Sn # 83 coordinates: \[ 0.365289415000000, 0.750000000000000, 0.829880750000000 \] mass: 118.710000 reduced\_to: 81 - symbol: Sn # 84 coordinates: \[ 0.865289415000000, 0.750000000000000, 0.829880750000000 \] mass: 118.710000 reduced\_to: 81 - symbol: Sn # 85 coordinates: \[ 0.115289415000000, 0.750000000000000, 0.420119250000000 \] mass: 118.710000 reduced\_to: 85 - symbol: Sn # 86 coordinates: \[ 0.615289415000000, 0.750000000000000, 0.420119250000000 \] mass: 118.710000 reduced\_to: 85 - symbol: Sn # 87 coordinates: \[ 0.115289415000000, 0.750000000000000, 0.920119250000000 \] mass: 118.710000 reduced\_to: 85 - symbol: Sn # 88 coordinates: \[ 0.615289415000000, 0.750000000000000, 0.920119250000000 \] mass: 118.710000 reduced\_to: 85 - symbol: Sn # 89 coordinates: \[ 0.384710585000000, 0.250000000000000, 0.079880750000000 \] mass: 118.710000 reduced\_to: 89 - symbol: Sn # 90 coordinates: \[ 0.884710585000000, 0.250000000000000, 0.079880750000000 \] mass: 118.710000 reduced\_to: 89 - symbol: Sn # 91 coordinates: \[ 0.384710585000000, 0.250000000000000, 0.579880750000000 \] mass: 118.710000 reduced\_to: 89 - symbol: Sn # 92 coordinates: \[ 0.884710585000000, 0.250000000000000, 0.579880750000000 \] mass: 118.710000 reduced\_to: 89 - symbol: Sn # 93 coordinates: \[ 0.134710585000000, 0.250000000000000, 0.170119250000000 \] mass: 118.710000 reduced\_to: 93 - symbol: Sn # 94 coordinates: \[ 0.634710585000000, 0.250000000000000, 0.170119250000000 \] mass: 118.710000 reduced\_to: 93 - symbol: Sn # 95 coordinates: \[ 0.134710585000000, 0.250000000000000, 0.670119250000000 \] mass: 118.710000 reduced\_to: 93 - symbol: Sn # 96 coordinates: \[ 0.634710585000000, 0.250000000000000, 0.670119250000000 \] mass: 118.710000 reduced\_to: 93 born\_effective\_charge: - # 1 (O) - \[ -2.383023670000000, 0.027097310000000, -0.431628620000000 \] - \[ 0.032748950000000, -1.705247840000000, -0.072645530000000 \] - \[ -0.321196940000000, -0.072312110000000, -1.424747090000000 \] - # 2 (O) - \[ -2.383023670000000, -0.027097310000000, 0.431628620000000 \] - \[ -0.032748950000000, -1.705247840000000, -0.072645530000000 \] - \[ 0.321196940000000, -0.072312110000000, -1.424747090000000 \] - # 3 (O) - \[ -2.383023670000000, 0.027097310000000, 0.431628620000000 \] - \[ 0.032748950000000, -1.705247840000000, 0.072645530000000 \] - \[ 0.321196940000000, 0.072312110000000, -1.424747090000000 \] - # 4 (O) - \[ -2.383023670000000, -0.027097310000000, -0.431628620000000 \] - \[ -0.032748950000000, -1.705247840000000, 0.072645530000000 \] - \[ -0.321196940000000, 0.072312110000000, -1.424747090000000 \] - # 5 (O) - \[ -2.383023670000000, 0.027097310000000, -0.431628620000000 \] - \[ 0.032748950000000, -1.705247840000000, -0.072645530000000 \] - \[ -0.321196940000000, -0.072312110000000, -1.424747090000000 \] - # 6 (O) - \[ -2.383023670000000, -0.027097310000000, 0.431628620000000 \] - \[ -0.032748950000000, -1.705247840000000, -0.072645530000000 \] - \[ 0.321196940000000, -0.072312110000000, -1.424747090000000 \] - # 7 (O) - \[ -2.383023670000000, 0.027097310000000, 0.431628620000000 \] - \[ 0.032748950000000, -1.705247840000000, 0.072645530000000 \] - \[ 0.321196940000000, 0.072312110000000, -1.424747090000000 \] - # 8 (O) - \[ -2.383023670000000, -0.027097310000000, -0.431628620000000 \] - \[ -0.032748950000000, -1.705247840000000, 0.072645530000000 \] - \[ -0.321196940000000, 0.072312110000000, -1.424747090000000 \] - # 9 (O) - \[ -1.584854940000000, 0.000000000000000, 0.044900170000000 \] - \[ 0.000000000000000, -1.418194340000000, 0.000000000000000 \] - \[ -0.106374880000000, 0.000000000000000, -2.227933500000000 \] - # 10 (O) - \[ -1.584854940000000, 0.000000000000000, 0.044900170000000 \] - \[ 0.000000000000000, -1.418194340000000, 0.000000000000000 \] - \[ -0.106374880000000, 0.000000000000000, -2.227933500000000 \] - # 11 (O) - \[ -1.584854940000000, 0.000000000000000, -0.044900170000000 \] - \[ 0.000000000000000, -1.418194340000000, 0.000000000000000 \] - \[ 0.106374880000000, 0.000000000000000, -2.227933500000000 \] - # 12 (O) - \[ -1.584854940000000, 0.000000000000000, -0.044900170000000 \] - \[ 0.000000000000000, -1.418194340000000, 0.000000000000000 \] - \[ 0.106374880000000, 0.000000000000000, -2.227933500000000 \] - # 13 (K) - \[ 1.115369180000000, 0.042907860000000, 0.032183710000000 \] - \[ 0.046554610000000, 1.270428790000000, -0.112680470000000 \] - \[ -0.075634070000000, -0.040233040000000, 1.208278050000000 \] - # 14 (K) - \[ 1.115369180000000, 0.042907860000000, 0.032183710000000 \] - \[ 0.046554610000000, 1.270428790000000, -0.112680470000000 \] - \[ -0.075634070000000, -0.040233040000000, 1.208278050000000 \] - # 15 (K) - \[ 1.115369180000000, -0.042907860000000, 0.032183710000000 \] - \[ -0.046554610000000, 1.270428790000000, 0.112680470000000 \] - \[ -0.075634070000000, 0.040233040000000, 1.208278050000000 \] - # 16 (K) - \[ 1.115369180000000, 0.042907860000000, -0.032183710000000 \] - \[ 0.046554610000000, 1.270428790000000, 0.112680470000000 \] - \[ 0.075634070000000, 0.040233040000000, 1.208278050000000 \] - # 17 (K) - \[ 1.115369180000000, 0.042907860000000, -0.032183710000000 \] - \[ 0.046554610000000, 1.270428790000000, 0.112680470000000 \] - \[ 0.075634070000000, 0.040233040000000, 1.208278050000000 \] - # 18 (K) - \[ 1.115369180000000, -0.042907860000000, 0.032183710000000 \] - \[ -0.046554610000000, 1.270428790000000, 0.112680470000000 \] - \[ -0.075634070000000, 0.040233040000000, 1.208278050000000 \] - # 19 (K) - \[ 1.115369180000000, -0.042907860000000, -0.032183710000000 \] - \[ -0.046554610000000, 1.270428790000000, -0.112680470000000 \] - \[ 0.075634070000000, -0.040233040000000, 1.208278050000000 \] - # 20 (K) - \[ 1.115369180000000, -0.042907860000000, -0.032183710000000 \] - \[ -0.046554610000000, 1.270428790000000, -0.112680470000000 \] - \[ 0.075634070000000, -0.040233040000000, 1.208278050000000 \] - # 21 (Sn) - \[ 4.120163910000000, 0.000000000000000, -0.185112240000000 \] - \[ 0.000000000000000, 2.287832440000000, 0.000000000000000 \] - \[ 0.077255620000000, 0.000000000000000, 2.660871560000000 \] - # 22 (Sn) - \[ 4.120163910000000, 0.000000000000000, 0.185112240000000 \] - \[ 0.000000000000000, 2.287832440000000, 0.000000000000000 \] - \[ -0.077255620000000, 0.000000000000000, 2.660871560000000 \] - # 23 (Sn) - \[ 4.120163910000000, 0.000000000000000, 0.185112240000000 \] - \[ 0.000000000000000, 2.287832440000000, 0.000000000000000 \] - \[ -0.077255620000000, 0.000000000000000, 2.660871560000000 \] - # 24 (Sn) - \[ 4.120163910000000, 0.000000000000000, -0.185112240000000 \] - \[ 0.000000000000000, 2.287832440000000, 0.000000000000000 \] - \[ 0.077255620000000, 0.000000000000000, 2.660871560000000 \] dielectric\_constant: - \[ 3.557408380000000, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, 2.970357210000000, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, 3.048936030000000 \] displacements: - atom: 1 displacement: \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] forces: - \[ -0.1184323600000000, 0.0045217900000000, -0.0366036900000000 \] - \[ 0.0094845800000000, -0.0005286300000000, 0.0021727600000000 \] - \[ 0.0003942300000000, -0.0005172100000000, 0.0014328200000000 \] - \[ 0.0012444700000000, -0.0004585500000000, 0.0015312700000000 \] - \[ 0.0016340400000000, -0.0035841900000000, -0.0027452100000000 \] - \[ 0.0016033800000000, 0.0045119300000000, -0.0022436500000000 \] - \[ 0.0008041300000000, 0.0005093300000000, -0.0010108300000000 \] - \[ 0.0008031000000000, 0.0004752100000000, -0.0011091000000000 \] - \[ -0.0007567400000000, 0.0010111900000000, 0.0020220200000000 \] - \[ -0.0004113100000000, -0.0002221900000000, 0.0007050500000000 \] - \[ -0.0007551000000000, 0.0011258500000000, 0.0007188400000000 \] - \[ -0.0004119100000000, -0.0001437600000000, 0.0021099100000000 \] - \[ -0.0000557000000000, -0.0005354000000000, -0.0010472100000000 \] - \[ -0.0015556500000000, -0.0006864200000000, -0.0014728800000000 \] - \[ -0.0003320300000000, -0.0005687300000000, -0.0011848400000000 \] - \[ -0.0013347400000000, -0.0002291500000000, -0.0014350400000000 \] - \[ 0.0001327600000000, 0.0005154000000000, -0.0011423200000000 \] - \[ -0.0023148500000000, 0.0003417600000000, -0.0012949400000000 \] - \[ -0.0000739200000000, 0.0004707000000000, -0.0012203700000000 \] - \[ -0.0017713900000000, 0.0004077200000000, -0.0011931600000000 \] - \[ -0.0008999700000000, -0.0006866400000000, 0.0015924100000000 \] - \[ -0.0006502300000000, -0.0006121000000000, 0.0009722800000000 \] - \[ -0.0008985700000000, -0.0004007700000000, 0.0010967000000000 \] - \[ -0.0006511800000000, -0.0004398900000000, 0.0014370100000000 \] - \[ 0.0222690200000000, -0.0033885000000000, -0.0053203200000000 \] - \[ 0.0225976600000000, 0.0018547100000000, -0.0007136300000000 \] - \[ 0.0007847700000000, -0.0005145700000000, -0.0010128700000000 \] - \[ 0.0007833800000000, -0.0004501600000000, -0.0011569000000000 \] - \[ -0.0127293400000000, 0.0006220800000000, -0.0009502500000000 \] - \[ 0.0035327300000000, 0.0005694600000000, 0.0016789200000000 \] - \[ 0.0003531400000000, 0.0005172500000000, 0.0014493800000000 \] - \[ 0.0012370800000000, 0.0004645700000000, 0.0015408100000000 \] - \[ 0.0006115000000000, 0.0007139500000000, 0.0003499400000000 \] - \[ -0.0007443300000000, -0.0011289300000000, -0.0010788900000000 \] - \[ -0.0002908500000000, 0.0000352400000000, -0.0000200200000000 \] - \[ -0.0005468400000000, -0.0000380500000000, 0.0002482000000000 \] - \[ 0.0025594400000000, -0.0037805100000000, 0.0063818200000000 \] - \[ 0.0020912100000000, 0.0009773700000000, -0.0018126800000000 \] - \[ -0.0001218700000000, -0.0003790800000000, -0.0002438500000000 \] - \[ 0.0010785800000000, 0.0001011400000000, 0.0006785800000000 \] - \[ 0.0013500400000000, -0.0000249300000000, 0.0007588000000000 \] - \[ -0.0005513100000000, 0.0005231800000000, -0.0005321000000000 \] - \[ 0.0025437700000000, -0.0007053800000000, -0.0014621600000000 \] - \[ -0.0019733500000000, 0.0030912700000000, 0.0062448700000000 \] - \[ -0.0017523800000000, 0.0006217400000000, -0.0009226000000000 \] - \[ 0.0005454000000000, -0.0001954800000000, 0.0001836800000000 \] - \[ -0.0007297500000000, -0.0000016000000000, 0.0002283800000000 \] - \[ -0.0001235600000000, -0.0000362400000000, 0.0000929000000000 \] - \[ -0.0013962600000000, -0.0010542500000000, -0.0001712000000000 \] - \[ 0.0031702700000000, -0.0001052300000000, -0.0003433600000000 \] - \[ -0.0001765500000000, -0.0000392400000000, -0.0008153400000000 \] - \[ 0.0001837300000000, 0.0000735500000000, -0.0006431800000000 \] - \[ 0.0006558200000000, -0.0005359500000000, -0.0003687300000000 \] - \[ -0.0005307800000000, 0.0000747000000000, 0.0010035800000000 \] - \[ 0.0020402400000000, 0.0000895500000000, 0.0027142700000000 \] - \[ -0.0013525700000000, 0.0000169500000000, -0.0003311600000000 \] - \[ -0.0005178600000000, 0.0002632700000000, -0.0004080300000000 \] - \[ 0.0004831500000000, -0.0003302700000000, -0.0005811200000000 \] - \[ -0.0001650300000000, 0.0000395000000000, -0.0008074200000000 \] - \[ 0.0001642700000000, -0.0000259900000000, -0.0007414100000000 \] - \[ 0.0036569900000000, 0.0016761900000000, 0.0015617300000000 \] - \[ -0.0014048600000000, 0.0010533900000000, 0.0012790100000000 \] - \[ 0.0001438100000000, -0.0000171500000000, 0.0006229400000000 \] - \[ -0.0001746400000000, 0.0000310600000000, 0.0005288800000000 \] - \[ -0.0015545600000000, -0.0005449800000000, -0.0016104000000000 \] - \[ 0.0026539300000000, -0.0000832400000000, 0.0000074800000000 \] - \[ -0.0002681500000000, -0.0001463600000000, -0.0002881800000000 \] - \[ 0.0001516600000000, 0.0004676700000000, -0.0015516200000000 \] - \[ 0.0005168100000000, 0.0005262300000000, -0.0001486300000000 \] - \[ -0.0003018700000000, -0.0001172400000000, 0.0008455200000000 \] - \[ 0.0010884000000000, 0.0001512800000000, 0.0012914400000000 \] - \[ -0.0009048600000000, -0.0002154600000000, 0.0002751700000000 \] - \[ 0.0004986600000000, 0.0003671500000000, 0.0007334900000000 \] - \[ -0.0005505700000000, -0.0002182600000000, 0.0008683000000000 \] - \[ 0.0001377200000000, -0.0000104000000000, 0.0005533900000000 \] - \[ -0.0001681600000000, -0.0000251800000000, 0.0005613100000000 \] - \[ -0.0011780200000000, 0.0006559500000000, -0.0009687100000000 \] - \[ 0.0007338600000000, -0.0007508900000000, -0.0000496300000000 \] - \[ -0.0000845000000000, 0.0001658600000000, -0.0004559600000000 \] - \[ 0.0000158100000000, -0.0004182500000000, -0.0013048200000000 \] - \[ 0.0467174400000000, -0.0241363400000000, 0.0118394800000000 \] - \[ -0.0106543700000000, -0.0052870400000000, 0.0030265800000000 \] - \[ -0.0002613400000000, -0.0000073000000000, -0.0008127500000000 \] - \[ -0.0016136400000000, -0.0000029300000000, -0.0011769100000000 \] - \[ -0.0110535400000000, 0.0056280600000000, 0.0018407700000000 \] - \[ 0.0380903300000000, 0.0185605000000000, 0.0166654600000000 \] - \[ -0.0014271800000000, -0.0000157400000000, -0.0001708600000000 \] - \[ -0.0005841900000000, 0.0000121500000000, 0.0006942700000000 \] - \[ 0.0021452100000000, -0.0001722300000000, -0.0010331900000000 \] - \[ -0.0002035100000000, 0.0002187900000000, -0.0006429300000000 \] - \[ 0.0020637300000000, -0.0003183700000000, 0.0001721700000000 \] - \[ -0.0002555000000000, 0.0003234600000000, -0.0008772400000000 \] - \[ -0.0002884400000000, -0.0001670300000000, -0.0002047400000000 \] - \[ 0.0022560000000000, 0.0005009800000000, 0.0018915800000000 \] - \[ 0.0002070800000000, -0.0001752800000000, 0.0007568400000000 \] - \[ 0.0017268200000000, 0.0002985800000000, 0.0000760300000000 \] - atom: 1 displacement: \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] forces: - \[ 0.1207169500000000, -0.0087283100000000, 0.0389713900000000 \] - \[ -0.0078902000000000, -0.0004556500000000, 0.0003834200000000 \] - \[ 0.0012045300000000, -0.0004588300000000, 0.0011305900000000 \] - \[ 0.0003548500000000, -0.0005177600000000, 0.0010337500000000 \] - \[ -0.0000055300000000, 0.0045861000000000, 0.0001661200000000 \] - \[ -0.0000361500000000, -0.0035146100000000, -0.0003047500000000 \] - \[ 0.0007953300000000, 0.0004662800000000, -0.0015552800000000 \] - \[ 0.0007941400000000, 0.0004997000000000, -0.0014571300000000 \] - \[ -0.0008386600000000, -0.0000351400000000, 0.0005398400000000 \] - \[ -0.0011899800000000, 0.0011974300000000, 0.0018586100000000 \] - \[ -0.0008369200000000, -0.0001510900000000, 0.0018456900000000 \] - \[ -0.0011903400000000, 0.0011195200000000, 0.0004563200000000 \] - \[ -0.0015433200000000, -0.0004424300000000, -0.0015184000000000 \] - \[ -0.0000419100000000, -0.0002905000000000, -0.0010879100000000 \] - \[ -0.0012665100000000, -0.0004083400000000, -0.0013772100000000 \] - \[ -0.0002643400000000, -0.0007491200000000, -0.0011326100000000 \] - \[ -0.0017311700000000, 0.0004579800000000, -0.0014263200000000 \] - \[ 0.0007172100000000, 0.0006405300000000, -0.0012629300000000 \] - \[ -0.0015235600000000, 0.0005011100000000, -0.0013424200000000 \] - \[ 0.0001705200000000, 0.0005722400000000, -0.0013762600000000 \] - \[ -0.0006947900000000, -0.0002914700000000, 0.0009720300000000 \] - \[ -0.0009525100000000, -0.0003656200000000, 0.0015938000000000 \] - \[ -0.0006932700000000, -0.0005767200000000, 0.0014665400000000 \] - \[ -0.0009532700000000, -0.0005397900000000, 0.0011288000000000 \] - \[ -0.0210049300000000, 0.0023898500000000, 0.0028238700000000 \] - \[ -0.0206762500000000, -0.0028602200000000, -0.0018102600000000 \] - \[ 0.0008152000000000, -0.0004614900000000, -0.0015524200000000 \] - \[ 0.0008136500000000, -0.0005278400000000, -0.0014071900000000 \] - \[ 0.0143460800000000, 0.0002048200000000, 0.0035106900000000 \] - \[ -0.0019363500000000, 0.0004172300000000, 0.0008836400000000 \] - \[ 0.0012471400000000, 0.0004586500000000, 0.0011132200000000 \] - \[ 0.0003603800000000, 0.0005101900000000, 0.0010235400000000 \] - \[ -0.0014546500000000, -0.0007173600000000, -0.0004060200000000 \] - \[ -0.0001117100000000, 0.0011269700000000, 0.0010284000000000 \] - \[ -0.0005557800000000, -0.0000354100000000, -0.0000324400000000 \] - \[ -0.0003025500000000, 0.0000374000000000, -0.0003013900000000 \] - \[ -0.0017117100000000, 0.0038156200000000, -0.0063988800000000 \] - \[ -0.0012480400000000, -0.0009690100000000, 0.0018495900000000 \] - \[ 0.0009745900000000, 0.0003787300000000, 0.0002925800000000 \] - \[ -0.0002368600000000, -0.0000998200000000, -0.0006243200000000 \] - \[ -0.0005025200000000, 0.0000254500000000, -0.0008176000000000 \] - \[ 0.0013970200000000, -0.0005217900000000, 0.0004792800000000 \] - \[ -0.0017020200000000, 0.0007162300000000, 0.0014279000000000 \] - \[ 0.0027699200000000, -0.0030931400000000, -0.0062935700000000 \] - \[ 0.0009117800000000, -0.0006184000000000, 0.0009726500000000 \] - \[ -0.0013954200000000, 0.0001922000000000, -0.0001261000000000 \] - \[ -0.0001152600000000, 0.0000018200000000, -0.0001740800000000 \] - \[ -0.0007240100000000, 0.0000357400000000, -0.0000403500000000 \] - \[ 0.0013817300000000, 0.0010811500000000, -0.0011575200000000 \] - \[ -0.0031348900000000, 0.0000546200000000, -0.0009428300000000 \] - \[ 0.0001613200000000, 0.0000581600000000, -0.0005096500000000 \] - \[ -0.0001980000000000, -0.0000550500000000, -0.0006824000000000 \] - \[ -0.0006441900000000, 0.0005180000000000, 0.0016923300000000 \] - \[ 0.0005469000000000, -0.0000924300000000, 0.0003258100000000 \] - \[ -0.0020533400000000, -0.0001114600000000, -0.0013655300000000 \] - \[ 0.0013721500000000, -0.0000352300000000, 0.0016494800000000 \] - \[ 0.0005006300000000, -0.0002840300000000, -0.0009197100000000 \] - \[ -0.0004866700000000, 0.0003190500000000, -0.0007404100000000 \] - \[ 0.0001488600000000, -0.0000584200000000, -0.0005182000000000 \] - \[ -0.0001788100000000, 0.0000071400000000, -0.0005844200000000 \] - \[ -0.0037406800000000, -0.0017743600000000, -0.0002818700000000 \] - \[ 0.0013912600000000, -0.0010273100000000, 0.0000505000000000 \] - \[ -0.0001596800000000, 0.0000359400000000, 0.0007041700000000 \] - \[ 0.0001613300000000, -0.0000131000000000, 0.0007964500000000 \] - \[ 0.0015699700000000, 0.0005277200000000, 0.0002929800000000 \] - \[ -0.0025879900000000, 0.0000569900000000, -0.0014040900000000 \] - \[ 0.0002808000000000, 0.0001280100000000, -0.0010418200000000 \] - \[ -0.0001336400000000, -0.0004895600000000, 0.0002296600000000 \] - \[ -0.0005027600000000, -0.0005076200000000, 0.0014728400000000 \] - \[ 0.0003180200000000, 0.0001342300000000, 0.0004819100000000 \] - \[ -0.0010847800000000, -0.0001308800000000, 0.0000416900000000 \] - \[ 0.0009239900000000, 0.0002312100000000, 0.0010456800000000 \] - \[ -0.0005261500000000, -0.0003770100000000, 0.0005886300000000 \] - \[ 0.0005386200000000, 0.0001969000000000, 0.0004595500000000 \] - \[ -0.0001525000000000, -0.0000079000000000, 0.0007733700000000 \] - \[ 0.0001546400000000, 0.0000061400000000, 0.0007652300000000 \] - \[ 0.0011917400000000, -0.0006409300000000, -0.0003533200000000 \] - \[ -0.0007076800000000, 0.0007682600000000, -0.0012845800000000 \] - \[ 0.0000973600000000, -0.0001487000000000, -0.0008721100000000 \] - \[ 0.0000009400000000, 0.0004399800000000, -0.0000168700000000 \] - \[ -0.0506003600000000, 0.0261980100000000, -0.0138045900000000 \] - \[ 0.0087142800000000, 0.0052502800000000, -0.0042526900000000 \] - \[ -0.0016767400000000, 0.0000066800000000, -0.0004278900000000 \] - \[ -0.0003194400000000, 0.0000063800000000, -0.0000682600000000 \] - \[ 0.0091305300000000, -0.0056762200000000, -0.0006043800000000 \] - \[ -0.0387333500000000, -0.0170273700000000, -0.0144982200000000 \] - \[ -0.0005111600000000, 0.0000166700000000, 0.0014197100000000 \] - \[ -0.0013507100000000, -0.0000097700000000, 0.0005535000000000 \] - \[ -0.0002174000000000, 0.0001717200000000, -0.0002129000000000 \] - \[ 0.0021447400000000, -0.0002160700000000, -0.0006008600000000 \] - \[ -0.0001361800000000, 0.0003179100000000, -0.0014101500000000 \] - \[ 0.0021989600000000, -0.0003190500000000, -0.0003751100000000 \] - \[ 0.0022210700000000, 0.0001707500000000, 0.0014545400000000 \] - \[ -0.0003111200000000, -0.0005020600000000, -0.0006508700000000 \] - \[ 0.0017229500000000, 0.0001790500000000, 0.0004869600000000 \] - \[ 0.0002166300000000, -0.0002984000000000, 0.0011698800000000 \] - atom: 1 displacement: \[ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 \] forces: - \[ 0.0075954000000000, -0.1355360400000000, -0.0084029900000000 \] - \[ 0.0007641300000000, -0.0007394100000000, 0.0013712600000000 \] - \[ 0.0007699500000000, -0.0006522500000000, 0.0013365300000000 \] - \[ 0.0008294200000000, -0.0006406100000000, 0.0012905100000000 \] - \[ -0.0032199200000000, -0.0001726900000000, 0.0001259500000000 \] - \[ 0.0048879800000000, -0.0001726100000000, -0.0021375300000000 \] - \[ 0.0008112400000000, 0.0005244800000000, -0.0013944600000000 \] - \[ 0.0007779200000000, 0.0005240700000000, -0.0011661900000000 \] - \[ -0.0001638000000000, 0.0007741400000000, 0.0020233300000000 \] - \[ -0.0014284300000000, 0.0008096100000000, 0.0016761500000000 \] - \[ -0.0002785100000000, 0.0007758200000000, 0.0008647600000000 \] - \[ -0.0015044000000000, 0.0008066500000000, 0.0003905700000000 \] - \[ -0.0007532900000000, -0.0001572700000000, -0.0012446400000000 \] - \[ -0.0006017700000000, 0.0011230900000000, -0.0017295800000000 \] - \[ -0.0007192300000000, -0.0002493600000000, -0.0012399100000000 \] - \[ -0.0010574400000000, 0.0005624900000000, -0.0013340400000000 \] - \[ -0.0007714700000000, 0.0004028300000000, -0.0012374900000000 \] - \[ -0.0009470300000000, 0.0022276300000000, 0.0007755700000000 \] - \[ -0.0008136500000000, 0.0004556000000000, -0.0013097200000000 \] - \[ -0.0008820300000000, 0.0011302100000000, -0.0024431900000000 \] - \[ -0.0008886400000000, 0.0001960800000000, 0.0011411400000000 \] - \[ -0.0008465300000000, 0.0001926200000000, 0.0014243800000000 \] - \[ -0.0006040800000000, 0.0001976900000000, 0.0011520200000000 \] - \[ -0.0006743500000000, 0.0001913900000000, 0.0015497400000000 \] - \[ 0.0032035600000000, -0.0058911900000000, -0.0013900300000000 \] - \[ -0.0021288400000000, -0.0058852600000000, -0.0018562200000000 \] - \[ 0.0008378300000000, -0.0006494600000000, -0.0012978600000000 \] - \[ 0.0007730700000000, -0.0006502800000000, -0.0011553200000000 \] - \[ 0.0005917200000000, 0.0344880800000000, 0.0022067900000000 \] - \[ 0.0007218700000000, 0.0003319400000000, 0.0011066000000000 \] - 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