# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/90ec1e24-4bac-41d8-8ac5-237450f2afdc/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 SrSm2O4 / Pnma (62) / materials id 754414](https://mdr.nims.go.jp/datasets/1060fb41-6e52-4445-9158-c8e051a4e3a7) ## 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:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.020153750000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.502416360000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.068215430000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.253706870000000, 0.750000000000000, 0.648760590000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.246293130000000, 0.250000000000000, 0.148760590000000 ] mass: 87.620000 - symbol: Sr # 3 coordinates: [ 0.753706870000000, 0.750000000000000, 0.851239410000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.746293130000000, 0.250000000000000, 0.351239410000000 ] mass: 87.620000 - symbol: Sm # 5 coordinates: [ 0.091101500000000, 0.750000000000000, 0.891351490000000 ] mass: 150.360000 - symbol: Sm # 6 coordinates: [ 0.069211050000000, 0.750000000000000, 0.384976490000000 ] mass: 150.360000 - symbol: Sm # 7 coordinates: [ 0.430788950000000, 0.250000000000000, 0.884976490000000 ] mass: 150.360000 - symbol: Sm # 8 coordinates: [ 0.408898500000000, 0.250000000000000, 0.391351490000000 ] mass: 150.360000 - symbol: Sm # 9 coordinates: [ 0.591101500000000, 0.750000000000000, 0.608648510000000 ] mass: 150.360000 - symbol: Sm # 10 coordinates: [ 0.569211050000000, 0.750000000000000, 0.115023510000000 ] mass: 150.360000 - symbol: Sm # 11 coordinates: [ 0.930788950000000, 0.250000000000000, 0.615023510000000 ] mass: 150.360000 - symbol: Sm # 12 coordinates: [ 0.908898500000000, 0.250000000000000, 0.108648510000000 ] mass: 150.360000 - symbol: O # 13 coordinates: [ 0.000663450000000, 0.250000000000000, 0.283996930000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.067752330000000, 0.750000000000000, 0.081997310000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.137010330000000, 0.250000000000000, 0.514152300000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.219358560000000, 0.250000000000000, 0.814955990000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.280641440000000, 0.750000000000000, 0.314955990000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.362989670000000, 0.750000000000000, 0.014152300000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.432247670000000, 0.250000000000000, 0.581997310000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.499336550000000, 0.750000000000000, 0.783996930000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.500663450000000, 0.250000000000000, 0.216003070000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.567752330000000, 0.750000000000000, 0.418002690000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.637010330000000, 0.250000000000000, 0.985847700000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.719358560000000, 0.250000000000000, 0.685044010000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.780641440000000, 0.750000000000000, 0.185044010000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.862989670000000, 0.750000000000000, 0.485847700000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.932247670000000, 0.250000000000000, 0.918002690000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.999336550000000, 0.750000000000000, 0.716003070000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.099798867856693, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.285517167924604, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.082862292755740 ] # c*unit_cell: lattice: - [ 10.020153750000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.502416360000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.068215430000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.253706870000000, 0.750000000000000, 0.648760590000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.246293130000000, 0.250000000000000, 0.148760590000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.753706870000000, 0.750000000000000, 0.851239410000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.746293130000000, 0.250000000000000, 0.351239410000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sm # 5 coordinates: [ 0.091101500000000, 0.750000000000000, 0.891351490000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 6 coordinates: [ 0.069211050000000, 0.750000000000000, 0.384976490000000 ] mass: 150.360000 reduced_to: 6 - symbol: Sm # 7 coordinates: [ 0.430788950000000, 0.250000000000000, 0.884976490000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 8 coordinates: [ 0.408898500000000, 0.250000000000000, 0.391351490000000 ] mass: 150.360000 reduced_to: 8 - symbol: Sm # 9 coordinates: [ 0.591101500000000, 0.750000000000000, 0.608648510000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 10 coordinates: [ 0.569211050000000, 0.750000000000000, 0.115023510000000 ] mass: 150.360000 reduced_to: 10 - symbol: Sm # 11 coordinates: [ 0.930788950000000, 0.250000000000000, 0.615023510000000 ] mass: 150.360000 reduced_to: 11 - symbol: Sm # 12 coordinates: [ 0.908898500000000, 0.250000000000000, 0.108648510000000 ] mass: 150.360000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.000663450000000, 0.250000000000000, 0.283996930000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.067752330000000, 0.750000000000000, 0.081997310000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.137010330000000, 0.250000000000000, 0.514152300000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.219358560000000, 0.250000000000000, 0.814955990000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.280641440000000, 0.750000000000000, 0.314955990000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.362989670000000, 0.750000000000000, 0.014152300000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.432247670000000, 0.250000000000000, 0.581997310000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.499336550000000, 0.750000000000000, 0.783996930000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.500663450000000, 0.250000000000000, 0.216003070000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.567752330000000, 0.750000000000000, 0.418002690000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.637010330000000, 0.250000000000000, 0.985847700000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.719358560000000, 0.250000000000000, 0.685044010000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.780641440000000, 0.750000000000000, 0.185044010000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.862989670000000, 0.750000000000000, 0.485847700000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.932247670000000, 0.250000000000000, 0.918002690000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.999336550000000, 0.750000000000000, 0.716003070000000 ] mass: 15.999400 reduced_to: 28supercell: lattice: - [ 10.020153750000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.507249079999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.068215430000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.253706870000000, 0.250000000000000, 0.648760590000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.253706870000000, 0.583333333333333, 0.648760590000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.253706870000000, 0.916666666666667, 0.648760590000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.246293130000000, 0.083333333333333, 0.148760590000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.246293130000000, 0.416666666666667, 0.148760590000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 6 coordinates: [ 0.246293130000000, 0.750000000000000, 0.148760590000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 7 coordinates: [ 0.753706870000000, 0.250000000000000, 0.851239410000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.753706870000000, 0.583333333333333, 0.851239410000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 9 coordinates: [ 0.753706870000000, 0.916666666666667, 0.851239410000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 10 coordinates: [ 0.746293130000000, 0.083333333333333, 0.351239410000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.746293130000000, 0.416666666666667, 0.351239410000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 12 coordinates: [ 0.746293130000000, 0.750000000000000, 0.351239410000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sm # 13 coordinates: [ 0.091101500000000, 0.250000000000000, 0.891351490000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 14 coordinates: [ 0.091101500000000, 0.583333333333333, 0.891351490000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 15 coordinates: [ 0.091101500000000, 0.916666666666667, 0.891351490000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 16 coordinates: [ 0.069211050000000, 0.250000000000000, 0.384976490000000 ] mass: 150.360000 reduced_to: 16 - symbol: Sm # 17 coordinates: [ 0.069211050000000, 0.583333333333333, 0.384976490000000 ] mass: 150.360000 reduced_to: 16 - symbol: Sm # 18 coordinates: [ 0.069211050000000, 0.916666666666667, 0.384976490000000 ] mass: 150.360000 reduced_to: 16 - symbol: Sm # 19 coordinates: [ 0.430788950000000, 0.083333333333333, 0.884976490000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 20 coordinates: [ 0.430788950000000, 0.416666666666667, 0.884976490000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 21 coordinates: [ 0.430788950000000, 0.750000000000000, 0.884976490000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 22 coordinates: [ 0.408898500000000, 0.083333333333333, 0.391351490000000 ] mass: 150.360000 reduced_to: 22 - symbol: Sm # 23 coordinates: [ 0.408898500000000, 0.416666666666667, 0.391351490000000 ] mass: 150.360000 reduced_to: 22 - symbol: Sm # 24 coordinates: [ 0.408898500000000, 0.750000000000000, 0.391351490000000 ] mass: 150.360000 reduced_to: 22 - symbol: Sm # 25 coordinates: [ 0.591101500000000, 0.250000000000000, 0.608648510000000 ] mass: 150.360000 reduced_to: 25 - symbol: Sm # 26 coordinates: [ 0.591101500000000, 0.583333333333333, 0.608648510000000 ] mass: 150.360000 reduced_to: 25 - symbol: Sm # 27 coordinates: [ 0.591101500000000, 0.916666666666667, 0.608648510000000 ] mass: 150.360000 reduced_to: 25 - symbol: Sm # 28 coordinates: [ 0.569211050000000, 0.250000000000000, 0.115023510000000 ] mass: 150.360000 reduced_to: 28 - symbol: Sm # 29 coordinates: [ 0.569211050000000, 0.583333333333333, 0.115023510000000 ] mass: 150.360000 reduced_to: 28 - symbol: Sm # 30 coordinates: [ 0.569211050000000, 0.916666666666667, 0.115023510000000 ] mass: 150.360000 reduced_to: 28 - symbol: Sm # 31 coordinates: [ 0.930788950000000, 0.083333333333333, 0.615023510000000 ] mass: 150.360000 reduced_to: 31 - symbol: Sm # 32 coordinates: [ 0.930788950000000, 0.416666666666667, 0.615023510000000 ] mass: 150.360000 reduced_to: 31 - symbol: Sm # 33 coordinates: [ 0.930788950000000, 0.750000000000000, 0.615023510000000 ] mass: 150.360000 reduced_to: 31 - symbol: Sm # 34 coordinates: [ 0.908898500000000, 0.083333333333333, 0.108648510000000 ] mass: 150.360000 reduced_to: 34 - symbol: Sm # 35 coordinates: [ 0.908898500000000, 0.416666666666667, 0.108648510000000 ] mass: 150.360000 reduced_to: 34 - symbol: Sm # 36 coordinates: [ 0.908898500000000, 0.750000000000000, 0.108648510000000 ] mass: 150.360000 reduced_to: 34 - symbol: O # 37 coordinates: [ 0.000663450000000, 0.083333333333333, 0.283996930000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.000663450000000, 0.416666666666667, 0.283996930000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.000663450000000, 0.750000000000000, 0.283996930000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.067752330000000, 0.250000000000000, 0.081997310000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.067752330000000, 0.583333333333333, 0.081997310000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.067752330000000, 0.916666666666667, 0.081997310000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.137010330000000, 0.083333333333333, 0.514152300000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.137010330000000, 0.416666666666667, 0.514152300000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.137010330000000, 0.750000000000000, 0.514152300000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.219358560000000, 0.083333333333333, 0.814955990000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.219358560000000, 0.416666666666667, 0.814955990000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.219358560000000, 0.750000000000000, 0.814955990000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.280641440000000, 0.250000000000000, 0.314955990000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.280641440000000, 0.583333333333333, 0.314955990000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.280641440000000, 0.916666666666667, 0.314955990000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.362989670000000, 0.250000000000000, 0.014152300000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.362989670000000, 0.583333333333333, 0.014152300000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.362989670000000, 0.916666666666667, 0.014152300000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.432247670000000, 0.083333333333333, 0.581997310000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.432247670000000, 0.416666666666667, 0.581997310000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.432247670000000, 0.750000000000000, 0.581997310000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.499336550000000, 0.250000000000000, 0.783996930000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.499336550000000, 0.583333333333333, 0.783996930000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.499336550000000, 0.916666666666667, 0.783996930000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.500663450000000, 0.083333333333333, 0.216003070000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.500663450000000, 0.416666666666667, 0.216003070000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.500663450000000, 0.750000000000000, 0.216003070000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.567752330000000, 0.250000000000000, 0.418002690000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.567752330000000, 0.583333333333333, 0.418002690000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.567752330000000, 0.916666666666667, 0.418002690000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.637010330000000, 0.083333333333333, 0.985847700000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.637010330000000, 0.416666666666667, 0.985847700000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.637010330000000, 0.750000000000000, 0.985847700000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.719358560000000, 0.083333333333333, 0.685044010000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.719358560000000, 0.416666666666667, 0.685044010000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.719358560000000, 0.750000000000000, 0.685044010000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 73 coordinates: [ 0.780641440000000, 0.250000000000000, 0.185044010000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.780641440000000, 0.583333333333333, 0.185044010000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.780641440000000, 0.916666666666667, 0.185044010000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.862989670000000, 0.250000000000000, 0.485847700000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.862989670000000, 0.583333333333333, 0.485847700000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 78 coordinates: [ 0.862989670000000, 0.916666666666667, 0.485847700000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 79 coordinates: [ 0.932247670000000, 0.083333333333333, 0.918002690000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.932247670000000, 0.416666666666667, 0.918002690000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.932247670000000, 0.750000000000000, 0.918002690000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.999336550000000, 0.250000000000000, 0.716003070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.999336550000000, 0.583333333333333, 0.716003070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.999336550000000, 0.916666666666667, 0.716003070000000 ] mass: 15.999400 reduced_to: 82born_effective_charge:- # 1 (Sr) - [ 2.596855910000000, 0.000000000000000, 0.028842560000000 ] - [ 0.000000000000000, 2.421962160000000, 0.000000000000000 ] - [ -0.027308650000000, 0.000000000000000, 2.497586300000000 ]- # 2 (Sr) - [ 2.596855910000000, 0.000000000000000, -0.028842560000000 ] - [ 0.000000000000000, 2.421962160000000, 0.000000000000000 ] - [ 0.027308650000000, 0.000000000000000, 2.497586300000000 ]- # 3 (Sr) - [ 2.596855910000000, 0.000000000000000, -0.028842560000000 ] - [ 0.000000000000000, 2.421962160000000, 0.000000000000000 ] - [ 0.027308650000000, 0.000000000000000, 2.497586300000000 ]- # 4 (Sr) - [ 2.596855910000000, 0.000000000000000, 0.028842560000000 ] - [ 0.000000000000000, 2.421962160000000, 0.000000000000000 ] - [ -0.027308650000000, 0.000000000000000, 2.497586300000000 ]- # 5 (Sm) - [ 3.587390040000000, 0.000000000000000, -0.254766410000000 ] - [ 0.000000000000000, 4.061148520000000, 0.000000000000000 ] - [ -0.115305900000000, 0.000000000000000, 4.121254830000000 ]- # 6 (Sm) - [ 3.665729610000000, 0.000000000000000, -0.202141520000000 ] - [ 0.000000000000000, 4.413048460000000, 0.000000000000000 ] - [ -0.037396800000000, 0.000000000000000, 3.632543760000000 ]- # 7 (Sm) - [ 3.665729610000000, 0.000000000000000, 0.202141520000000 ] - [ 0.000000000000000, 4.413048460000000, 0.000000000000000 ] - [ 0.037396800000000, 0.000000000000000, 3.632543760000001 ]- # 8 (Sm) - [ 3.587390040000000, 0.000000000000000, 0.254766410000000 ] - [ 0.000000000000000, 4.061148520000000, 0.000000000000000 ] - [ 0.115305900000000, 0.000000000000000, 4.121254830000000 ]- # 9 (Sm) - [ 3.587390040000000, 0.000000000000000, 0.254766410000000 ] - [ 0.000000000000000, 4.061148520000000, 0.000000000000000 ] - [ 0.115305900000000, 0.000000000000000, 4.121254830000000 ]- # 10 (Sm) - [ 3.665729610000000, 0.000000000000000, 0.202141520000000 ] - [ 0.000000000000000, 4.413048460000000, 0.000000000000000 ] - [ 0.037396800000000, 0.000000000000000, 3.632543760000001 ]- # 11 (Sm) - [ 3.665729610000000, 0.000000000000000, -0.202141520000000 ] - [ 0.000000000000000, 4.413048460000000, 0.000000000000000 ] - 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