# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3a39e3e2-7ec3-4f14-862b-583f55212693/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 Tb(HO)3 / P2_1/m (11) / materials id 625415](https://mdr.nims.go.jp/datasets/f8904844-0a5d-4eab-9ab8-b2b910399c64) ## 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: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.228495060000000, 0.000000000000000, -0.048440710000000 ] # a - [ 0.000000000000000, 3.515620730000000, 0.000000000000000 ] # b - [ -3.072204070000000, 0.000000000000000, 5.418468250000000 ] # c points: - symbol: Tb # 1 coordinates: [ 0.166664400000000, 0.250000000000000, 0.333327370000000 ] mass: 158.925350 - symbol: Tb # 2 coordinates: [ 0.833335600000000, 0.750000000000000, 0.666672630000000 ] mass: 158.925350 - symbol: H # 3 coordinates: [ 0.631284300000000, 0.250000000000000, 0.277713940000000 ] mass: 1.007940 - symbol: H # 4 coordinates: [ 0.222302330000000, 0.250000000000000, 0.853584780000000 ] mass: 1.007940 - symbol: H # 5 coordinates: [ 0.646409310000000, 0.250000000000000, 0.868715730000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.368715700000000, 0.750000000000000, 0.722286060000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.777697670000000, 0.750000000000000, 0.146415220000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.353590690000000, 0.750000000000000, 0.131284270000000 ] mass: 1.007940 - symbol: O # 9 coordinates: [ 0.810255230000000, 0.250000000000000, 0.393095630000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.106918450000000, 0.250000000000000, 0.917175440000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.582833090000000, 0.250000000000000, 0.689749750000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.189744770000000, 0.750000000000000, 0.606904370000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.893081550000000, 0.750000000000000, 0.082824560000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.417166910000000, 0.750000000000000, 0.310250250000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.161263537741476, 0.000000000000000, 0.091434419126099 ] # a* - [ 0.000000000000000, 0.284444789924765, 0.000000000000000 ] # b* - [ 0.001441684237111, 0.000000000000000, 0.185371418976370 ] # c*unit_cell: lattice: - [ 6.228495060000000, 0.000000000000000, -0.048440710000000 ] # a - [ 0.000000000000000, 3.515620730000000, 0.000000000000000 ] # b - [ -3.072204070000000, 0.000000000000000, 5.418468250000000 ] # c points: - symbol: Tb # 1 coordinates: [ 0.166664400000000, 0.250000000000000, 0.333327370000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 2 coordinates: [ 0.833335600000000, 0.750000000000000, 0.666672630000000 ] mass: 158.925350 reduced_to: 2 - symbol: H # 3 coordinates: [ 0.631284300000000, 0.250000000000000, 0.277713940000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.222302330000000, 0.250000000000000, 0.853584780000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.646409310000000, 0.250000000000000, 0.868715730000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.368715700000000, 0.750000000000000, 0.722286060000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.777697670000000, 0.750000000000000, 0.146415220000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.353590690000000, 0.750000000000000, 0.131284270000000 ] mass: 1.007940 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.810255230000000, 0.250000000000000, 0.393095630000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.106918450000000, 0.250000000000000, 0.917175440000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.582833090000000, 0.250000000000000, 0.689749750000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.189744770000000, 0.750000000000000, 0.606904370000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.893081550000000, 0.750000000000000, 0.082824560000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.417166910000000, 0.750000000000000, 0.310250250000000 ] mass: 15.999400 reduced_to: 14supercell: lattice: - [ 12.456990120000000, 0.000000000000000, -0.096881420000000 ] # a - [ 0.000000000000000, 7.031241460000000, 0.000000000000000 ] # b - [ -6.144408140000000, 0.000000000000000, 10.836936500000000 ] # c points: - symbol: Tb # 1 coordinates: [ 0.083332200000000, 0.125000000000000, 0.166663685000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 2 coordinates: [ 0.583332200000000, 0.125000000000000, 0.166663685000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 3 coordinates: [ 0.083332200000000, 0.625000000000000, 0.166663685000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 4 coordinates: [ 0.583332200000000, 0.625000000000000, 0.166663685000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 5 coordinates: [ 0.083332200000000, 0.125000000000000, 0.666663685000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 6 coordinates: [ 0.583332200000000, 0.125000000000000, 0.666663685000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 7 coordinates: [ 0.083332200000000, 0.625000000000000, 0.666663685000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 8 coordinates: [ 0.583332200000000, 0.625000000000000, 0.666663685000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 9 coordinates: [ 0.416667800000000, 0.375000000000000, 0.333336315000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 10 coordinates: [ 0.916667800000000, 0.375000000000000, 0.333336315000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 11 coordinates: [ 0.416667800000000, 0.875000000000000, 0.333336315000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 12 coordinates: [ 0.916667800000000, 0.875000000000000, 0.333336315000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 13 coordinates: [ 0.416667800000000, 0.375000000000000, 0.833336315000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 14 coordinates: [ 0.916667800000000, 0.375000000000000, 0.833336315000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 15 coordinates: [ 0.416667800000000, 0.875000000000000, 0.833336315000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 16 coordinates: [ 0.916667800000000, 0.875000000000000, 0.833336315000000 ] mass: 158.925350 reduced_to: 9 - symbol: H # 17 coordinates: [ 0.315642150000000, 0.125000000000000, 0.138856970000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.815642150000000, 0.125000000000000, 0.138856970000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.315642150000000, 0.625000000000000, 0.138856970000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 20 coordinates: [ 0.815642150000000, 0.625000000000000, 0.138856970000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 21 coordinates: [ 0.315642150000000, 0.125000000000000, 0.638856970000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 22 coordinates: [ 0.815642150000000, 0.125000000000000, 0.638856970000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 23 coordinates: [ 0.315642150000000, 0.625000000000000, 0.638856970000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 24 coordinates: [ 0.815642150000000, 0.625000000000000, 0.638856970000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 25 coordinates: [ 0.111151165000000, 0.125000000000000, 0.426792390000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.611151165000000, 0.125000000000000, 0.426792390000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.111151165000000, 0.625000000000000, 0.426792390000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 28 coordinates: [ 0.611151165000000, 0.625000000000000, 0.426792390000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 29 coordinates: [ 0.111151165000000, 0.125000000000000, 0.926792390000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 30 coordinates: [ 0.611151165000000, 0.125000000000000, 0.926792390000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 31 coordinates: [ 0.111151165000000, 0.625000000000000, 0.926792390000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 32 coordinates: [ 0.611151165000000, 0.625000000000000, 0.926792390000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 33 coordinates: [ 0.323204655000000, 0.125000000000000, 0.434357865000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.823204655000000, 0.125000000000000, 0.434357865000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.323204655000000, 0.625000000000000, 0.434357865000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 36 coordinates: [ 0.823204655000000, 0.625000000000000, 0.434357865000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 37 coordinates: [ 0.323204655000000, 0.125000000000000, 0.934357865000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 38 coordinates: [ 0.823204655000000, 0.125000000000000, 0.934357865000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 39 coordinates: [ 0.323204655000000, 0.625000000000000, 0.934357865000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 40 coordinates: [ 0.823204655000000, 0.625000000000000, 0.934357865000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 41 coordinates: [ 0.184357850000000, 0.375000000000000, 0.361143030000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.684357850000000, 0.375000000000000, 0.361143030000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.184357850000000, 0.875000000000000, 0.361143030000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 44 coordinates: [ 0.684357850000000, 0.875000000000000, 0.361143030000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 45 coordinates: [ 0.184357850000000, 0.375000000000000, 0.861143030000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 46 coordinates: [ 0.684357850000000, 0.375000000000000, 0.861143030000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 47 coordinates: [ 0.184357850000000, 0.875000000000000, 0.861143030000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 48 coordinates: [ 0.684357850000000, 0.875000000000000, 0.861143030000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 49 coordinates: [ 0.388848835000000, 0.375000000000000, 0.073207610000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.888848835000000, 0.375000000000000, 0.073207610000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.388848835000000, 0.875000000000000, 0.073207610000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.888848835000000, 0.875000000000000, 0.073207610000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.388848835000000, 0.375000000000000, 0.573207610000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 54 coordinates: [ 0.888848835000000, 0.375000000000000, 0.573207610000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 55 coordinates: [ 0.388848835000000, 0.875000000000000, 0.573207610000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 56 coordinates: [ 0.888848835000000, 0.875000000000000, 0.573207610000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 57 coordinates: [ 0.176795345000000, 0.375000000000000, 0.065642135000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.676795345000000, 0.375000000000000, 0.065642135000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.176795345000000, 0.875000000000000, 0.065642135000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 60 coordinates: [ 0.676795345000000, 0.875000000000000, 0.065642135000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 61 coordinates: [ 0.176795345000000, 0.375000000000000, 0.565642135000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 62 coordinates: [ 0.676795345000000, 0.375000000000000, 0.565642135000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 63 coordinates: [ 0.176795345000000, 0.875000000000000, 0.565642135000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 64 coordinates: [ 0.676795345000000, 0.875000000000000, 0.565642135000000 ] mass: 1.007940 reduced_to: 57 - symbol: O # 65 coordinates: [ 0.405127615000000, 0.125000000000000, 0.196547815000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.905127615000000, 0.125000000000000, 0.196547815000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.405127615000000, 0.625000000000000, 0.196547815000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.905127615000000, 0.625000000000000, 0.196547815000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.405127615000000, 0.125000000000000, 0.696547815000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 70 coordinates: [ 0.905127615000000, 0.125000000000000, 0.696547815000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 71 coordinates: [ 0.405127615000000, 0.625000000000000, 0.696547815000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 72 coordinates: [ 0.905127615000000, 0.625000000000000, 0.696547815000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 73 coordinates: [ 0.053459225000000, 0.125000000000000, 0.458587720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.553459225000000, 0.125000000000000, 0.458587720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.053459225000000, 0.625000000000000, 0.458587720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.553459225000000, 0.625000000000000, 0.458587720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.053459225000000, 0.125000000000000, 0.958587720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.553459225000000, 0.125000000000000, 0.958587720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.053459225000000, 0.625000000000000, 0.958587720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.553459225000000, 0.625000000000000, 0.958587720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.291416545000000, 0.125000000000000, 0.344874875000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.791416545000000, 0.125000000000000, 0.344874875000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.291416545000000, 0.625000000000000, 0.344874875000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.791416545000000, 0.625000000000000, 0.344874875000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.291416545000000, 0.125000000000000, 0.844874875000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 86 coordinates: [ 0.791416545000000, 0.125000000000000, 0.844874875000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 87 coordinates: [ 0.291416545000000, 0.625000000000000, 0.844874875000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 88 coordinates: [ 0.791416545000000, 0.625000000000000, 0.844874875000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 89 coordinates: [ 0.094872385000000, 0.375000000000000, 0.303452185000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.594872385000000, 0.375000000000000, 0.303452185000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.094872385000000, 0.875000000000000, 0.303452185000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.594872385000000, 0.875000000000000, 0.303452185000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.094872385000000, 0.375000000000000, 0.803452185000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 94 coordinates: [ 0.594872385000000, 0.375000000000000, 0.803452185000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 95 coordinates: [ 0.094872385000000, 0.875000000000000, 0.803452185000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 96 coordinates: [ 0.594872385000000, 0.875000000000000, 0.803452185000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 97 coordinates: [ 0.446540775000000, 0.375000000000000, 0.041412280000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.946540775000000, 0.375000000000000, 0.041412280000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.446540775000000, 0.875000000000000, 0.041412280000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.946540775000000, 0.875000000000000, 0.041412280000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.446540775000000, 0.375000000000000, 0.541412280000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.946540775000000, 0.375000000000000, 0.541412280000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.446540775000000, 0.875000000000000, 0.541412280000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 104 coordinates: [ 0.946540775000000, 0.875000000000000, 0.541412280000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 105 coordinates: [ 0.208583455000000, 0.375000000000000, 0.155125125000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.708583455000000, 0.375000000000000, 0.155125125000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.208583455000000, 0.875000000000000, 0.155125125000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.708583455000000, 0.875000000000000, 0.155125125000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.208583455000000, 0.375000000000000, 0.655125125000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 110 coordinates: [ 0.708583455000000, 0.375000000000000, 0.655125125000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 111 coordinates: [ 0.208583455000000, 0.875000000000000, 0.655125125000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 112 coordinates: [ 0.708583455000000, 0.875000000000000, 0.655125125000000 ] mass: 15.999400 reduced_to: 105born_effective_charge:- # 1 (Tb) - [ 3.474836750000000, 0.000000000000000, -0.011020380000000 ] - [ 0.000000000000000, 3.904454130000000, 0.000000000000000 ] - [ 0.010878710000000, 0.000000000000000, 3.474952970000000 ]- # 2 (Tb) - [ 3.474836750000000, 0.000000000000000, -0.011020380000000 ] - [ 0.000000000000000, 3.904454130000000, 0.000000000000000 ] - [ 0.010878710000000, 0.000000000000000, 3.474952970000000 ]- # 3 (H) - [ 0.483144010000000, 0.000000000000000, -0.009674920000000 ] - [ 0.000000000000000, 0.536340960000000, 0.000000000000000 ] - [ -0.056931310000000, 0.000000000000000, 0.256907930000000 ]- # 4 (H) - [ 0.284594380000000, 0.000000000000000, -0.057650750000000 ] - [ 0.000000000000000, 0.536298000000000, 0.000000000000000 ] - [ -0.104902150000000, 0.000000000000000, 0.455435580000000 ]- # 5 (H) - [ 0.342331600000000, 0.000000000000000, 0.138263990000000 ] - [ 0.000000000000000, 0.536303260000000, 0.000000000000000 ] - [ 0.090994710000000, 0.000000000000000, 0.397688980000000 ]- # 6 (H) - [ 0.483144010000000, 0.000000000000000, -0.009674920000000 ] - [ 0.000000000000000, 0.536340960000000, 0.000000000000000 ] - [ -0.056931310000000, 0.000000000000000, 0.256907930000000 ]- # 7 (H) - [ 0.284594380000000, 0.000000000000000, -0.057650750000000 ] - [ 0.000000000000000, 0.536298000000000, 0.000000000000000 ] - [ -0.104902150000000, 0.000000000000000, 0.455435580000000 ]- # 8 (H) - [ 0.342331600000000, 0.000000000000000, 0.138263990000000 ] - [ 0.000000000000000, 0.536303260000000, 0.000000000000000 ] - [ 0.090994710000000, 0.000000000000000, 0.397688980000000 ]- # 9 (O) - [ -1.665265470000000, 0.000000000000000, 0.323679810000000 ] - [ 0.000000000000000, -1.837785780000000, 0.000000000000000 ] - [ 0.363643610000000, 0.000000000000000, -1.391414070000000 ]- # 10 (O) - [ -1.162192420000000, 0.000000000000000, -0.073223240000000 ] - [ 0.000000000000000, -1.837764270000000, 0.000000000000000 ] - 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