# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ab5912ce-0481-4b85-b8f0-e256d232ca03/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 K3Y(BO3)2 / Pnnm (58) / materials id 555495](https://mdr.nims.go.jp/datasets/bff54bf1-24b0-40b6-af30-2bfa55e29ab1) ## 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, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.822471600000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.358915489999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.540585550000000 ] # c points: - symbol: K # 1 coordinates: [ 0.225192980000000, 0.332571280000000, 0.000000000000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.774807020000000, 0.667428720000000, 0.000000000000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.725192980000000, 0.167428720000000, 0.500000000000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.274807020000000, 0.832571280000000, 0.500000000000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 39.098300 - symbol: Y # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 - symbol: Y # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 88.905850 - symbol: B # 9 coordinates: [ 0.764592880000000, 0.333392530000000, 0.000000000000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.235407120000000, 0.666607470000000, 0.000000000000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.735407120000000, 0.833392530000000, 0.500000000000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.264592880000000, 0.166607470000000, 0.500000000000000 ] mass: 10.811000 - symbol: O # 13 coordinates: [ 0.302723220000000, 0.097336490000000, 0.717093840000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.197276780000000, 0.597336490000000, 0.217093840000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.191440850000000, 0.305268030000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.697276780000000, 0.902663510000000, 0.717093840000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.302723220000000, 0.097336490000000, 0.282906160000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.802723220000000, 0.402663510000000, 0.217093840000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.197276780000000, 0.597336490000000, 0.782906160000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.697276780000000, 0.902663510000000, 0.282906160000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.802723220000000, 0.402663510000000, 0.782906160000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.308559150000000, 0.805268030000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.691440850000000, 0.194731970000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.808559150000000, 0.694731970000000, 0.500000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.146574446715176, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.106849987166622, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.180486338668663 ] # c*unit_cell: lattice: - [ 6.822471600000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.358915489999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.540585550000000 ] # c points: - symbol: K # 1 coordinates: [ 0.225192980000000, 0.332571280000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.774807020000000, 0.667428720000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.725192980000000, 0.167428720000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.274807020000000, 0.832571280000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 6 - symbol: Y # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 reduced_to: 7 - symbol: Y # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 88.905850 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.764592880000000, 0.333392530000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.235407120000000, 0.666607470000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.735407120000000, 0.833392530000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.264592880000000, 0.166607470000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.302723220000000, 0.097336490000000, 0.717093840000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.197276780000000, 0.597336490000000, 0.217093840000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.191440850000000, 0.305268030000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.697276780000000, 0.902663510000000, 0.717093840000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.302723220000000, 0.097336490000000, 0.282906160000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.802723220000000, 0.402663510000000, 0.217093840000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.197276780000000, 0.597336490000000, 0.782906160000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.697276780000000, 0.902663510000000, 0.282906160000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.802723220000000, 0.402663510000000, 0.782906160000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.308559150000000, 0.805268030000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.691440850000000, 0.194731970000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.808559150000000, 0.694731970000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 13.644943200000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.358915489999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.081171100000001 ] # c points: - symbol: K # 1 coordinates: [ 0.112596490000000, 0.332571280000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.612596490000000, 0.332571280000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.112596490000000, 0.332571280000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.612596490000000, 0.332571280000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 5 coordinates: [ 0.387403510000000, 0.667428720000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.887403510000000, 0.667428720000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 7 coordinates: [ 0.387403510000000, 0.667428720000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 8 coordinates: [ 0.887403510000000, 0.667428720000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 9 coordinates: [ 0.362596490000000, 0.167428720000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.862596490000000, 0.167428720000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 11 coordinates: [ 0.362596490000000, 0.167428720000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 12 coordinates: [ 0.862596490000000, 0.167428720000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 13 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 15 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 16 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 17 coordinates: [ 0.137403510000000, 0.832571280000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.637403510000000, 0.832571280000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 19 coordinates: [ 0.137403510000000, 0.832571280000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 20 coordinates: [ 0.637403510000000, 0.832571280000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 21 - symbol: Y # 25 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 reduced_to: 25 - symbol: Y # 26 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 reduced_to: 25 - symbol: Y # 27 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 88.905850 reduced_to: 25 - symbol: Y # 28 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 88.905850 reduced_to: 25 - symbol: Y # 29 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 29 - symbol: Y # 30 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 29 - symbol: Y # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 29 - symbol: Y # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 29 - symbol: B # 33 coordinates: [ 0.382296440000000, 0.333392530000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.882296440000000, 0.333392530000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.382296440000000, 0.333392530000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 36 coordinates: [ 0.882296440000000, 0.333392530000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 37 coordinates: [ 0.117703560000000, 0.666607470000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.617703560000000, 0.666607470000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.117703560000000, 0.666607470000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 40 coordinates: [ 0.617703560000000, 0.666607470000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 41 coordinates: [ 0.367703560000000, 0.833392530000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.867703560000000, 0.833392530000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 43 coordinates: [ 0.367703560000000, 0.833392530000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 44 coordinates: [ 0.867703560000000, 0.833392530000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 45 coordinates: [ 0.132296440000000, 0.166607470000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 46 coordinates: [ 0.632296440000000, 0.166607470000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 47 coordinates: [ 0.132296440000000, 0.166607470000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 48 coordinates: [ 0.632296440000000, 0.166607470000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.151361610000000, 0.097336490000000, 0.358546920000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.651361610000000, 0.097336490000000, 0.358546920000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.151361610000000, 0.097336490000000, 0.858546920000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.651361610000000, 0.097336490000000, 0.858546920000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.098638390000000, 0.597336490000000, 0.108546920000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.598638390000000, 0.597336490000000, 0.108546920000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.098638390000000, 0.597336490000000, 0.608546920000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.598638390000000, 0.597336490000000, 0.608546920000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.095720425000000, 0.305268030000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.595720425000000, 0.305268030000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.095720425000000, 0.305268030000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.595720425000000, 0.305268030000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.348638390000000, 0.902663510000000, 0.358546920000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.848638390000000, 0.902663510000000, 0.358546920000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.348638390000000, 0.902663510000000, 0.858546920000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.848638390000000, 0.902663510000000, 0.858546920000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.151361610000000, 0.097336490000000, 0.141453080000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.651361610000000, 0.097336490000000, 0.141453080000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.151361610000000, 0.097336490000000, 0.641453080000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.651361610000000, 0.097336490000000, 0.641453080000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.401361610000000, 0.402663510000000, 0.108546920000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.901361610000000, 0.402663510000000, 0.108546920000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.401361610000000, 0.402663510000000, 0.608546920000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.901361610000000, 0.402663510000000, 0.608546920000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.098638390000000, 0.597336490000000, 0.391453080000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.598638390000000, 0.597336490000000, 0.391453080000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.098638390000000, 0.597336490000000, 0.891453080000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.598638390000000, 0.597336490000000, 0.891453080000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.348638390000000, 0.902663510000000, 0.141453080000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.848638390000000, 0.902663510000000, 0.141453080000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.348638390000000, 0.902663510000000, 0.641453080000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.848638390000000, 0.902663510000000, 0.641453080000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.401361610000000, 0.402663510000000, 0.391453080000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.901361610000000, 0.402663510000000, 0.391453080000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.401361610000000, 0.402663510000000, 0.891453080000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.901361610000000, 0.402663510000000, 0.891453080000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.154279575000000, 0.805268030000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.654279575000000, 0.805268030000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.154279575000000, 0.805268030000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.654279575000000, 0.805268030000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.345720425000000, 0.194731970000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.845720425000000, 0.194731970000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.345720425000000, 0.194731970000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.845720425000000, 0.194731970000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.404279575000000, 0.694731970000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.904279575000000, 0.694731970000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.404279575000000, 0.694731970000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.904279575000000, 0.694731970000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 93born_effective_charge:- # 1 (K) - [ 1.042501070000000, -0.168881920000000, 0.000000000000000 ] - [ -0.130286220000000, 1.215363920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.222153980000000 ]- # 2 (K) - [ 1.042501070000000, -0.168881920000000, 0.000000000000000 ] - [ -0.130286220000000, 1.215363920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.222153980000000 ]- # 3 (K) - [ 1.042501070000000, 0.168881920000000, 0.000000000000000 ] - [ 0.130286220000000, 1.215363920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.222153980000000 ]- # 4 (K) - [ 1.403336950000000, -0.022652240000000, 0.000000000000000 ] - [ -0.024300600000000, 1.112277780000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.044706270000000 ]- # 5 (K) - [ 1.042501070000000, 0.168881920000000, 0.000000000000000 ] - [ 0.130286220000000, 1.215363920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.222153980000000 ]- # 6 (K) - [ 1.403336950000000, 0.022652240000000, 0.000000000000000 ] - [ 0.024300600000000, 1.112277780000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.044706270000000 ]- # 7 (Y) - [ 3.922745970000000, 0.212977440000000, 0.000000000000000 ] - [ 0.034712920000000, 4.148028250000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.144791620000000 ]- # 8 (Y) - [ 3.922745970000000, -0.212977440000000, 0.000000000000000 ] - [ -0.034712920000000, 4.148028250000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.144791620000000 ]- # 9 (B) - 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