# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/08188bcf-b048-4a4f-8a07-d2143f42636d/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 Ba3(BO3)2 / Pnnm (58) / materials id 779608](https://mdr.nims.go.jp/datasets/cb07ed68-dc9e-48ca-867a-4c264ef0c8c2) ## 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: "Pnnm" number: 58 Hall_symbol: "-P 2 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.166964720000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.058869480000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.263872140000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.688736380000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.311263620000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.188736380000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.811263620000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: B # 7 coordinates: [ 0.974498910000000, 0.766563160000000, 0.500000000000000 ] mass: 10.811000 - symbol: B # 8 coordinates: [ 0.474498910000000, 0.733436840000000, 0.000000000000000 ] mass: 10.811000 - symbol: B # 9 coordinates: [ 0.525501090000000, 0.266563160000000, 0.000000000000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.025501090000000, 0.233436840000000, 0.500000000000000 ] mass: 10.811000 - symbol: O # 11 coordinates: [ 0.234187310000000, 0.816256250000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.344552270000000, 0.767444640000000, 0.117653180000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.344552270000000, 0.767444640000000, 0.882346820000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.844552270000000, 0.732555360000000, 0.617653180000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.844552270000000, 0.732555360000000, 0.382346820000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.734187310000000, 0.683743750000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.265812690000000, 0.316256250000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.155447730000000, 0.267444640000000, 0.382346820000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.155447730000000, 0.267444640000000, 0.617653180000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.655447730000000, 0.232555360000000, 0.882346820000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.655447730000000, 0.232555360000000, 0.117653180000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.765812690000000, 0.183743750000000, 0.500000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.193537222371435, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.141665744469892, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.097429117038864 ] # c*unit_cell: lattice: - [ 5.166964720000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.058869480000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.263872140000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.688736380000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.311263620000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.188736380000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.811263620000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.974498910000000, 0.766563160000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.474498910000000, 0.733436840000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.525501090000000, 0.266563160000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.025501090000000, 0.233436840000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.234187310000000, 0.816256250000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.344552270000000, 0.767444640000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.344552270000000, 0.767444640000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.844552270000000, 0.732555360000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.844552270000000, 0.732555360000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.734187310000000, 0.683743750000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.265812690000000, 0.316256250000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.155447730000000, 0.267444640000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.155447730000000, 0.267444640000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.655447730000000, 0.232555360000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.655447730000000, 0.232555360000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.765812690000000, 0.183743750000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 22supercell: lattice: - [ 10.333929440000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.117738960000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.263872140000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.250000000000000, 0.000000000000000, 0.688736380000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.750000000000000, 0.000000000000000, 0.688736380000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.250000000000000, 0.500000000000000, 0.688736380000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 8 coordinates: [ 0.750000000000000, 0.500000000000000, 0.688736380000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 9 coordinates: [ 0.250000000000000, 0.000000000000000, 0.311263620000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.750000000000000, 0.000000000000000, 0.311263620000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 11 coordinates: [ 0.250000000000000, 0.500000000000000, 0.311263620000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 12 coordinates: [ 0.750000000000000, 0.500000000000000, 0.311263620000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 13 coordinates: [ 0.000000000000000, 0.250000000000000, 0.188736380000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.500000000000000, 0.250000000000000, 0.188736380000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 15 coordinates: [ 0.000000000000000, 0.750000000000000, 0.188736380000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 16 coordinates: [ 0.500000000000000, 0.750000000000000, 0.188736380000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 17 coordinates: [ 0.000000000000000, 0.250000000000000, 0.811263620000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.500000000000000, 0.250000000000000, 0.811263620000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 19 coordinates: [ 0.000000000000000, 0.750000000000000, 0.811263620000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 20 coordinates: [ 0.500000000000000, 0.750000000000000, 0.811263620000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 21 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 22 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 23 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 24 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 21 - symbol: B # 25 coordinates: [ 0.487249455000000, 0.383281580000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.987249455000000, 0.383281580000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.487249455000000, 0.883281580000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 28 coordinates: [ 0.987249455000000, 0.883281580000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 29 coordinates: [ 0.237249455000000, 0.366718420000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.737249455000000, 0.366718420000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 31 coordinates: [ 0.237249455000000, 0.866718420000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 32 coordinates: [ 0.737249455000000, 0.866718420000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 33 coordinates: [ 0.262750545000000, 0.133281580000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.762750545000000, 0.133281580000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.262750545000000, 0.633281580000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 36 coordinates: [ 0.762750545000000, 0.633281580000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 37 coordinates: [ 0.012750545000000, 0.116718420000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.512750545000000, 0.116718420000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.012750545000000, 0.616718420000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 40 coordinates: [ 0.512750545000000, 0.616718420000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.117093655000000, 0.408128125000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.617093655000000, 0.408128125000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.117093655000000, 0.908128125000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.617093655000000, 0.908128125000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.172276135000000, 0.383722320000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.672276135000000, 0.383722320000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.172276135000000, 0.883722320000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.672276135000000, 0.883722320000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.172276135000000, 0.383722320000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.672276135000000, 0.383722320000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.172276135000000, 0.883722320000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.672276135000000, 0.883722320000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.422276135000000, 0.366277680000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.922276135000000, 0.366277680000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.422276135000000, 0.866277680000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.922276135000000, 0.866277680000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.422276135000000, 0.366277680000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.922276135000000, 0.366277680000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.422276135000000, 0.866277680000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.922276135000000, 0.866277680000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.367093655000000, 0.341871875000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.867093655000000, 0.341871875000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.367093655000000, 0.841871875000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.867093655000000, 0.841871875000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.132906345000000, 0.158128125000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.632906345000000, 0.158128125000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.132906345000000, 0.658128125000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.632906345000000, 0.658128125000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.077723865000000, 0.133722320000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.577723865000000, 0.133722320000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.077723865000000, 0.633722320000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.577723865000000, 0.633722320000000, 0.382346820000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.077723865000000, 0.133722320000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.577723865000000, 0.133722320000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.077723865000000, 0.633722320000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.577723865000000, 0.633722320000000, 0.617653180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.327723865000000, 0.116277680000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.827723865000000, 0.116277680000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.327723865000000, 0.616277680000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.827723865000000, 0.616277680000000, 0.882346820000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.327723865000000, 0.116277680000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.827723865000000, 0.116277680000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.327723865000000, 0.616277680000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.827723865000000, 0.616277680000000, 0.117653180000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.382906345000000, 0.091871875000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.882906345000000, 0.091871875000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.382906345000000, 0.591871875000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.882906345000000, 0.591871875000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 85born_effective_charge:- # 1 (Ba) - [ 2.915385100000000, -0.191260180000000, 0.000000000000000 ] - [ -0.250254780000000, 3.285511480000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.944989410000000 ]- # 2 (Ba) - [ 2.316866520000000, -0.003604250000000, 0.000000000000000 ] - [ -0.005770590000000, 2.772083500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.835511870000000 ]- # 3 (Ba) - [ 2.316866520000000, -0.003604250000000, 0.000000000000000 ] - [ -0.005770590000000, 2.772083500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.835511870000000 ]- # 4 (Ba) - [ 2.316866520000000, 0.003604250000000, 0.000000000000000 ] - [ 0.005770590000000, 2.772083500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.835511870000000 ]- # 5 (Ba) - [ 2.316866520000000, 0.003604250000000, 0.000000000000000 ] - [ 0.005770590000000, 2.772083500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.835511870000000 ]- # 6 (Ba) - [ 2.915385100000000, 0.191260180000000, 0.000000000000000 ] - [ 0.250254780000000, 3.285511480000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.944989410000000 ]- # 7 (B) - [ 2.806537760000000, 0.756447040000000, 0.000000000000000 ] - [ 0.674862140000000, 0.576811350000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.544578180000000 ]- # 8 (B) - [ 2.806537760000000, -0.756447040000000, 0.000000000000000 ] - [ -0.674862140000000, 0.576811350000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.544578180000000 ]- # 9 (B) - [ 2.806537760000000, -0.756447040000000, 0.000000000000000 ] - [ -0.674862140000000, 0.576811350000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.544578180000000 ]- # 10 (B) - [ 2.806537760000000, 0.756447040000000, 0.000000000000000 ] - [ 0.674862140000000, 0.576811350000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.544578180000000 ]- # 11 (O) - [ -2.781832470000000, -0.331631690000000, 0.000000000000000 ] - [ -0.312876230000000, -1.726851830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.531416530000000 ]- # 12 (O) - [ -1.899632180000000, 0.052327420000000, 0.379931890000000 ] - [ 0.033131770000000, -1.632399380000000, -0.157551230000000 ] - [ 0.311279770000000, -0.200792240000000, -2.410584110000000 ]- # 13 (O) - [ -1.899632180000000, 0.052327420000000, -0.379931890000000 ] - [ 0.033131770000000, -1.632399380000000, 0.157551230000000 ] - [ -0.311279770000000, 0.200792240000000, -2.410584110000000 ]- # 14 (O) - [ -1.899632180000000, -0.052327420000000, 0.379931890000000 ] - [ -0.033131770000000, -1.632399380000000, 0.157551230000000 ] - [ 0.311279770000000, 0.200792240000000, -2.410584110000000 ]- # 15 (O) - [ -1.899632180000000, -0.052327420000000, -0.379931890000000 ] - 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