# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6618fcc2-8096-485c-95ef-98e5b3be82e0/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 HoAlO3 / Pnma (62) / materials id 4891](https://mdr.nims.go.jp/datasets/176346bb-4c81-4cab-822a-851b92d0182c) ## 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: - [ 5.325090730000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.339930950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.134479830000000 ] # c points: - symbol: O # 1 coordinates: [ 0.296003980000000, 0.452644390000000, 0.703256940000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.203996020000000, 0.547355610000000, 0.203256940000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.796003980000000, 0.047355610000000, 0.796743060000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.703996020000000, 0.952644390000000, 0.296743060000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.703996020000000, 0.547355610000000, 0.296743060000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.796003980000000, 0.452644390000000, 0.796743060000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.203996020000000, 0.952644390000000, 0.203256940000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.296003980000000, 0.047355610000000, 0.703256940000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.475439650000000, 0.250000000000000, 0.090174820000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.024560350000000, 0.750000000000000, 0.590174820000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.975439650000000, 0.250000000000000, 0.409825180000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.524560350000000, 0.750000000000000, 0.909825180000000 ] mass: 15.999400 - symbol: Al # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 15 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Ho # 17 coordinates: [ 0.941622700000000, 0.750000000000000, 0.014564380000000 ] mass: 164.930320 - symbol: Ho # 18 coordinates: [ 0.558377300000000, 0.250000000000000, 0.514564380000000 ] mass: 164.930320 - symbol: Ho # 19 coordinates: [ 0.441622700000000, 0.750000000000000, 0.485435620000000 ] mass: 164.930320 - symbol: Ho # 20 coordinates: [ 0.058377300000000, 0.250000000000000, 0.985435620000000 ] mass: 164.930320 reciprocal_lattice: # without 2pi - [ 0.187790227566695, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.136241063684666, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.194761696045069 ] # c*unit_cell: lattice: - [ 5.325090730000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.339930950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.134479830000000 ] # c points: - symbol: O # 1 coordinates: [ 0.296003980000000, 0.452644390000000, 0.703256940000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.203996020000000, 0.547355610000000, 0.203256940000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.796003980000000, 0.047355610000000, 0.796743060000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.703996020000000, 0.952644390000000, 0.296743060000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.703996020000000, 0.547355610000000, 0.296743060000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.796003980000000, 0.452644390000000, 0.796743060000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.203996020000000, 0.952644390000000, 0.203256940000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.296003980000000, 0.047355610000000, 0.703256940000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.475439650000000, 0.250000000000000, 0.090174820000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.024560350000000, 0.750000000000000, 0.590174820000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.975439650000000, 0.250000000000000, 0.409825180000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.524560350000000, 0.750000000000000, 0.909825180000000 ] mass: 15.999400 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 16 - symbol: Ho # 17 coordinates: [ 0.941622700000000, 0.750000000000000, 0.014564380000000 ] mass: 164.930320 reduced_to: 17 - symbol: Ho # 18 coordinates: [ 0.558377300000000, 0.250000000000000, 0.514564380000000 ] mass: 164.930320 reduced_to: 18 - symbol: Ho # 19 coordinates: [ 0.441622700000000, 0.750000000000000, 0.485435620000000 ] mass: 164.930320 reduced_to: 19 - symbol: Ho # 20 coordinates: [ 0.058377300000000, 0.250000000000000, 0.985435620000000 ] mass: 164.930320 reduced_to: 20supercell: lattice: - [ 10.650181460000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.339930950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.268959660000000 ] # c points: - symbol: O # 1 coordinates: [ 0.148001990000000, 0.452644390000000, 0.351628470000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.648001990000000, 0.452644390000000, 0.351628470000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.148001990000000, 0.452644390000000, 0.851628470000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.648001990000000, 0.452644390000000, 0.851628470000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.101998010000000, 0.547355610000000, 0.101628470000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.601998010000000, 0.547355610000000, 0.101628470000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.101998010000000, 0.547355610000000, 0.601628470000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.601998010000000, 0.547355610000000, 0.601628470000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.398001990000000, 0.047355610000000, 0.398371530000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.898001990000000, 0.047355610000000, 0.398371530000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.398001990000000, 0.047355610000000, 0.898371530000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.898001990000000, 0.047355610000000, 0.898371530000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.351998010000000, 0.952644390000000, 0.148371530000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.851998010000000, 0.952644390000000, 0.148371530000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.351998010000000, 0.952644390000000, 0.648371530000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.851998010000000, 0.952644390000000, 0.648371530000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.351998010000000, 0.547355610000000, 0.148371530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.851998010000000, 0.547355610000000, 0.148371530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.351998010000000, 0.547355610000000, 0.648371530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.851998010000000, 0.547355610000000, 0.648371530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.398001990000000, 0.452644390000000, 0.398371530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.898001990000000, 0.452644390000000, 0.398371530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.398001990000000, 0.452644390000000, 0.898371530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.898001990000000, 0.452644390000000, 0.898371530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.101998010000000, 0.952644390000000, 0.101628470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.601998010000000, 0.952644390000000, 0.101628470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.101998010000000, 0.952644390000000, 0.601628470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.601998010000000, 0.952644390000000, 0.601628470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.148001990000000, 0.047355610000000, 0.351628470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.648001990000000, 0.047355610000000, 0.351628470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.148001990000000, 0.047355610000000, 0.851628470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.648001990000000, 0.047355610000000, 0.851628470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.237719825000000, 0.250000000000000, 0.045087410000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.737719825000000, 0.250000000000000, 0.045087410000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.237719825000000, 0.250000000000000, 0.545087410000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.737719825000000, 0.250000000000000, 0.545087410000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.012280175000000, 0.750000000000000, 0.295087410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.512280175000000, 0.750000000000000, 0.295087410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.012280175000000, 0.750000000000000, 0.795087410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.512280175000000, 0.750000000000000, 0.795087410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.487719825000000, 0.250000000000000, 0.204912590000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.987719825000000, 0.250000000000000, 0.204912590000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.487719825000000, 0.250000000000000, 0.704912590000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.987719825000000, 0.250000000000000, 0.704912590000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.262280175000000, 0.750000000000000, 0.454912590000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.762280175000000, 0.750000000000000, 0.454912590000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.262280175000000, 0.750000000000000, 0.954912590000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.762280175000000, 0.750000000000000, 0.954912590000000 ] mass: 15.999400 reduced_to: 45 - symbol: Al # 49 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 50 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 51 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 52 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 53 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 53 - symbol: Al # 54 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 53 - symbol: Al # 55 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 53 - symbol: Al # 56 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 53 - symbol: Al # 57 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 58 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 59 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 60 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 61 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 63 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 64 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 61 - symbol: Ho # 65 coordinates: [ 0.470811350000000, 0.750000000000000, 0.007282190000000 ] mass: 164.930320 reduced_to: 65 - symbol: Ho # 66 coordinates: [ 0.970811350000000, 0.750000000000000, 0.007282190000000 ] mass: 164.930320 reduced_to: 65 - symbol: Ho # 67 coordinates: [ 0.470811350000000, 0.750000000000000, 0.507282190000000 ] mass: 164.930320 reduced_to: 65 - symbol: Ho # 68 coordinates: [ 0.970811350000000, 0.750000000000000, 0.507282190000000 ] mass: 164.930320 reduced_to: 65 - symbol: Ho # 69 coordinates: [ 0.279188650000000, 0.250000000000000, 0.257282190000000 ] mass: 164.930320 reduced_to: 69 - symbol: Ho # 70 coordinates: [ 0.779188650000000, 0.250000000000000, 0.257282190000000 ] mass: 164.930320 reduced_to: 69 - symbol: Ho # 71 coordinates: [ 0.279188650000000, 0.250000000000000, 0.757282190000000 ] mass: 164.930320 reduced_to: 69 - symbol: Ho # 72 coordinates: [ 0.779188650000000, 0.250000000000000, 0.757282190000000 ] mass: 164.930320 reduced_to: 69 - symbol: Ho # 73 coordinates: [ 0.220811350000000, 0.750000000000000, 0.242717810000000 ] mass: 164.930320 reduced_to: 73 - symbol: Ho # 74 coordinates: [ 0.720811350000000, 0.750000000000000, 0.242717810000000 ] mass: 164.930320 reduced_to: 73 - symbol: Ho # 75 coordinates: [ 0.220811350000000, 0.750000000000000, 0.742717810000000 ] mass: 164.930320 reduced_to: 73 - symbol: Ho # 76 coordinates: [ 0.720811350000000, 0.750000000000000, 0.742717810000000 ] mass: 164.930320 reduced_to: 73 - symbol: Ho # 77 coordinates: [ 0.029188650000000, 0.250000000000000, 0.492717810000000 ] mass: 164.930320 reduced_to: 77 - symbol: Ho # 78 coordinates: [ 0.529188650000000, 0.250000000000000, 0.492717810000000 ] mass: 164.930320 reduced_to: 77 - symbol: Ho # 79 coordinates: [ 0.029188650000000, 0.250000000000000, 0.992717810000000 ] mass: 164.930320 reduced_to: 77 - symbol: Ho # 80 coordinates: [ 0.529188650000000, 0.250000000000000, 0.992717810000000 ] mass: 164.930320 reduced_to: 77born_effective_charge:- # 1 (O) - [ -2.350017810000000, 0.065058930000000, -0.034100180000000 ] - [ 0.087119170000000, -2.174770770000000, 0.125244550000000 ] - [ -0.001925530000000, 0.163408370000000, -2.264061770000000 ]- # 2 (O) - [ -2.350017810000000, 0.065058930000000, 0.034100180000000 ] - [ 0.087119170000000, -2.174770770000000, -0.125244550000000 ] - [ 0.001925530000000, -0.163408370000000, -2.264061770000000 ]- # 3 (O) - [ -2.350017810000000, -0.065058930000000, 0.034100180000000 ] - [ -0.087119170000000, -2.174770770000000, 0.125244550000000 ] - [ 0.001925530000000, 0.163408370000000, -2.264061770000000 ]- # 4 (O) - [ -2.350017810000000, -0.065058930000000, -0.034100180000000 ] - [ -0.087119170000000, -2.174770770000000, -0.125244550000000 ] - [ -0.001925530000000, -0.163408370000000, -2.264061770000000 ]- # 5 (O) - [ -2.350017810000000, 0.065058930000000, -0.034100180000000 ] - [ 0.087119170000000, -2.174770770000000, 0.125244550000000 ] - [ -0.001925530000000, 0.163408370000000, -2.264061770000000 ]- # 6 (O) - [ -2.350017810000000, 0.065058930000000, 0.034100180000000 ] - [ 0.087119170000000, -2.174770770000000, -0.125244550000000 ] - [ 0.001925530000000, -0.163408370000000, -2.264061770000000 ]- # 7 (O) - [ -2.350017810000000, -0.065058930000000, 0.034100180000000 ] - [ -0.087119170000000, -2.174770770000000, 0.125244550000000 ] - [ 0.001925530000000, 0.163408370000000, -2.264061770000000 ]- # 8 (O) - [ -2.350017810000000, -0.065058930000000, -0.034100180000000 ] - [ -0.087119170000000, -2.174770770000000, -0.125244550000000 ] - [ -0.001925530000000, -0.163408370000000, -2.264061770000000 ]- # 9 (O) - [ -2.138107490000000, 0.000000000000000, -0.246527870000000 ] - [ 0.000000000000000, -2.274322600000000, 0.000000000000000 ] - [ -0.352260680000000, 0.000000000000000, -2.411975140000000 ]- # 10 (O) - [ -2.138107490000000, 0.000000000000000, 0.246527870000000 ] - [ 0.000000000000000, -2.274322600000000, 0.000000000000000 ] - [ 0.352260680000000, 0.000000000000000, -2.411975140000000 ]- # 11 (O) - [ -2.138107490000000, 0.000000000000000, 0.246527870000000 ] - [ 0.000000000000000, -2.274322600000000, 0.000000000000000 ] - [ 0.352260680000000, 0.000000000000000, -2.411975140000000 ]- # 12 (O) - [ -2.138107490000000, 0.000000000000000, -0.246527870000000 ] - [ 0.000000000000000, -2.274322600000000, 0.000000000000000 ] - [ -0.352260680000000, 0.000000000000000, -2.411975140000000 ]- # 13 (Al) - [ 2.962542380000000, 0.078728320000000, 0.208563730000000 ] - [ -0.004600590000000, 2.941971690000000, -0.177536490000000 ] - [ 0.021068950000000, 0.042086110000000, 2.916431870000000 ]- # 14 (Al) - [ 2.962542380000000, 0.078728320000000, -0.208563730000000 ] - [ -0.004600590000000, 2.941971690000000, 0.177536490000000 ] - [ -0.021068950000000, -0.042086110000000, 2.916431870000000 ]- # 15 (Al) - [ 2.962542380000000, -0.078728320000000, -0.208563730000000 ] - [ 0.004600590000000, 2.941971690000000, -0.177536490000000 ] - [ -0.021068950000000, 0.042086110000000, 2.916431870000000 ]- # 16 (Al) - [ 2.962542380000000, -0.078728320000000, 0.208563730000000 ] - [ 0.004600590000000, 2.941971690000000, 0.177536490000000 ] - [ 0.021068950000000, -0.042086110000000, 2.916431870000000 ]- # 17 (Ho) - [ 3.875600720000000, 0.000000000000000, -0.027452560000000 ] - [ 0.000000000000000, 3.681892450000000, 0.000000000000000 ] - [ 0.188781110000000, 0.000000000000000, 4.023666800000000 ]- # 18 (Ho) - [ 3.875600720000000, 0.000000000000000, 0.027452560000000 ] - [ 0.000000000000000, 3.681892450000001, 0.000000000000000 ] - [ -0.188781110000000, 0.000000000000000, 4.023666800000000 ]- # 19 (Ho) - [ 3.875600720000000, 0.000000000000000, 0.027452560000000 ] - [ 0.000000000000000, 3.681892450000001, 0.000000000000000 ] - [ -0.188781110000000, 0.000000000000000, 4.023666800000000 ]- # 20 (Ho) - [ 3.875600720000000, 0.000000000000000, -0.027452560000000 ] - [ 0.000000000000000, 3.681892450000001, 0.000000000000000 ] - [ 0.188781110000000, 0.000000000000000, 4.023666800000000 ]dielectric_constant: - 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