# Fileset [phonopy_training_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/246e7562-6aa1-40d7-b8a8-2d8e399585f8/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 [First-principles lattice thermal conductivity calculation for Ca4Mg4Fe3H22 / P-43m (215) / materials id 644264](https://mdr.nims.go.jp/datasets/22726f9e-89e2-4f5a-9e86-f017a8b64589) ## Fulltext phonopy: version: "2.24.2" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "P-43m" number: 215 Hall_symbol: "P -4 2 3"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 1.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.586813400000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.586813400000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.586813400000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.291018730000003, 0.291018730000003, 0.708981269999997 ] mass: 40.078000 - symbol: Ca # 2 coordinates: [ 0.291018730000003, 0.708981269999997, 0.291018730000003 ] mass: 40.078000 - symbol: Ca # 3 coordinates: [ 0.708981269999997, 0.291018730000003, 0.291018730000003 ] mass: 40.078000 - symbol: Ca # 4 coordinates: [ 0.708981269999997, 0.708981269999997, 0.708981269999997 ] mass: 40.078000 - symbol: Mg # 5 coordinates: [ 0.786399659999993, 0.786399659999993, 0.213600340000007 ] mass: 24.305000 - symbol: Mg # 6 coordinates: [ 0.786399659999993, 0.213600340000007, 0.786399659999993 ] mass: 24.305000 - symbol: Mg # 7 coordinates: [ 0.213600340000007, 0.786399659999993, 0.786399659999993 ] mass: 24.305000 - symbol: Mg # 8 coordinates: [ 0.213600340000007, 0.213600340000007, 0.213600340000007 ] mass: 24.305000 - symbol: Fe # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 55.845000 - symbol: Fe # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 55.845000 - symbol: Fe # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 55.845000 - symbol: H # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.238192550000005 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.500000000000000, 0.761807449999995, 0.000000000000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.761807449999995, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.000000000000000, 0.761807449999995, 0.500000000000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.238192550000005 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.761807449999995, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.000000000000000, 0.500000000000000, 0.761807449999995 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.500000000000000, 0.238192550000005, 0.000000000000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.000000000000000, 0.238192550000005, 0.500000000000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.761807449999995 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.238192550000005, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.238192550000005, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.262586530000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.000000000000000, 0.737413470000000, 0.000000000000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.737413470000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.737413470000000 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.000000000000000, 0.262586530000000, 0.000000000000000 ] mass: 1.007940 - symbol: H # 29 coordinates: [ 0.262586530000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 - symbol: H # 30 coordinates: [ 0.624325889999996, 0.624325889999996, 0.375674110000004 ] mass: 1.007940 - symbol: H # 31 coordinates: [ 0.624325889999996, 0.375674110000004, 0.624325889999996 ] mass: 1.007940 - symbol: H # 32 coordinates: [ 0.375674110000004, 0.624325889999996, 0.624325889999996 ] mass: 1.007940 - symbol: H # 33 coordinates: [ 0.375674110000004, 0.375674110000004, 0.375674110000004 ] mass: 1.007940 reciprocal_lattice: # without 2pi - [ 0.151818480238107, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.151818480238107, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.151818480238107 ] # c*unit_cell: lattice: - [ 6.586813400000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.586813400000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.586813400000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.291018730000003, 0.291018730000003, 0.708981269999997 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.291018730000003, 0.708981269999997, 0.291018730000003 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.708981269999997, 0.291018730000003, 0.291018730000003 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.708981269999997, 0.708981269999997, 0.708981269999997 ] mass: 40.078000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.786399659999993, 0.786399659999993, 0.213600340000007 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.786399659999993, 0.213600340000007, 0.786399659999993 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 7 coordinates: [ 0.213600340000007, 0.786399659999993, 0.786399659999993 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 8 coordinates: [ 0.213600340000007, 0.213600340000007, 0.213600340000007 ] mass: 24.305000 reduced_to: 8 - symbol: Fe # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 55.845000 reduced_to: 9 - symbol: Fe # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 55.845000 reduced_to: 10 - symbol: Fe # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 55.845000 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.238192550000005 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.500000000000000, 0.761807449999995, 0.000000000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.761807449999995, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.000000000000000, 0.761807449999995, 0.500000000000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.238192550000005 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.761807449999995, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.000000000000000, 0.500000000000000, 0.761807449999995 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.500000000000000, 0.238192550000005, 0.000000000000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.000000000000000, 0.238192550000005, 0.500000000000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.761807449999995 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.238192550000005, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.238192550000005, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.262586530000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.000000000000000, 0.737413470000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.737413470000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.737413470000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.000000000000000, 0.262586530000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.262586530000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.624325889999996, 0.624325889999996, 0.375674110000004 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.624325889999996, 0.375674110000004, 0.624325889999996 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.375674110000004, 0.624325889999996, 0.624325889999996 ] mass: 1.007940 reduced_to: 32 - symbol: H # 33 coordinates: [ 0.375674110000004, 0.375674110000004, 0.375674110000004 ] mass: 1.007940 reduced_to: 33supercell: lattice: - [ 6.586813400000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.586813400000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.586813400000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.291018730000003, 0.291018730000003, 0.708981269999997 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.291018730000003, 0.708981269999997, 0.291018730000003 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.708981269999997, 0.291018730000003, 0.291018730000003 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.708981269999997, 0.708981269999997, 0.708981269999997 ] mass: 40.078000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.786399659999993, 0.786399659999993, 0.213600340000007 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.786399659999993, 0.213600340000007, 0.786399659999993 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 7 coordinates: [ 0.213600340000007, 0.786399659999993, 0.786399659999993 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 8 coordinates: [ 0.213600340000007, 0.213600340000007, 0.213600340000007 ] mass: 24.305000 reduced_to: 8 - symbol: Fe # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 55.845000 reduced_to: 9 - symbol: Fe # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 55.845000 reduced_to: 10 - symbol: Fe # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 55.845000 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.238192550000005 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.500000000000000, 0.761807449999995, 0.000000000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.761807449999995, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.000000000000000, 0.761807449999995, 0.500000000000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.238192550000005 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.761807449999995, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.000000000000000, 0.500000000000000, 0.761807449999995 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.500000000000000, 0.238192550000005, 0.000000000000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.000000000000000, 0.238192550000005, 0.500000000000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.761807449999995 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.238192550000005, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.238192550000005, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.262586530000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.000000000000000, 0.737413470000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.737413470000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.737413470000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.000000000000000, 0.262586530000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.262586530000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.624325889999996, 0.624325889999996, 0.375674110000004 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.624325889999996, 0.375674110000004, 0.624325889999996 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.375674110000004, 0.624325889999996, 0.624325889999996 ] mass: 1.007940 reduced_to: 32 - symbol: H # 33 coordinates: [ 0.375674110000004, 0.375674110000004, 0.375674110000004 ] mass: 1.007940 reduced_to: 33nac: born_effective_charge: - # 1 (Ca) - [ 2.144171811212122, -0.014124040000000, 0.014124040000000 ] - [ -0.014124040000000, 2.144171811212122, 0.014124040000000 ] - [ 0.014124040000000, 0.014124040000000, 2.144171811212122 ] - # 2 (Ca) - [ 2.144171811212122, 0.014124040000000, -0.014124040000000 ] - [ 0.014124040000000, 2.144171811212122, 0.014124040000000 ] - [ -0.014124040000000, 0.014124040000000, 2.144171811212122 ] - # 3 (Ca) - [ 2.144171811212122, 0.014124040000000, 0.014124040000000 ] - [ 0.014124040000000, 2.144171811212122, -0.014124040000000 ] - [ 0.014124040000000, -0.014124040000000, 2.144171811212122 ] - # 4 (Ca) - [ 2.144171811212122, -0.014124040000000, -0.014124040000000 ] - [ -0.014124040000000, 2.144171811212122, -0.014124040000000 ] - [ -0.014124040000000, -0.014124040000000, 2.144171811212122 ] - # 5 (Mg) - [ 1.881207421212121, -0.265637390000000, 0.265637390000000 ] - [ -0.265637390000000, 1.881207421212121, 0.265637390000000 ] - [ 0.265637390000000, 0.265637390000000, 1.881207421212121 ] - # 6 (Mg) - [ 1.881207421212121, 0.265637390000000, -0.265637390000000 ] - [ 0.265637390000000, 1.881207421212121, 0.265637390000000 ] - [ -0.265637390000000, 0.265637390000000, 1.881207421212121 ] - # 7 (Mg) - [ 1.881207421212121, 0.265637390000000, 0.265637390000000 ] - [ 0.265637390000000, 1.881207421212121, -0.265637390000000 ] - [ 0.265637390000000, -0.265637390000000, 1.881207421212121 ] - # 8 (Mg) - [ 1.881207421212121, -0.265637390000000, -0.265637390000000 ] - [ -0.265637390000000, 1.881207421212121, -0.265637390000000 ] - [ -0.265637390000000, -0.265637390000000, 1.881207421212121 ] - # 9 (Fe) - [ -2.659494438787880, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.659494438787880, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.818569838787879 ] - # 10 (Fe) - [ -2.659494438787880, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.818569838787879, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.659494438787880 ] - # 11 (Fe) - [ -2.818569838787879, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.659494438787880, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.659494438787880 ] - # 12 (H) - [ 0.003639711212121, -0.063040740000000, 0.000000000000000 ] - [ -0.086372760000000, 0.032608111212121, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.789826728787879 ] - # 13 (H) - [ 0.032608111212121, 0.000000000000000, 0.086372760000000 ] - [ 0.000000000000000, -0.789826728787879, 0.000000000000000 ] - [ 0.063040740000000, 0.000000000000000, 0.003639711212121 ] - # 14 (H) - [ -0.789826728787879, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.003639711212121, 0.063040740000000 ] - [ 0.000000000000000, 0.086372760000000, 0.032608111212121 ] - # 15 (H) - [ 0.003639711212121, 0.000000000000000, 0.063040740000000 ] - [ 0.000000000000000, -0.789826728787879, 0.000000000000000 ] - [ 0.086372760000000, 0.000000000000000, 0.032608111212121 ] - # 16 (H) - [ 0.032608111212121, -0.086372760000000, 0.000000000000000 ] - [ -0.063040740000000, 0.003639711212121, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.789826728787879 ] - # 17 (H) - [ -0.789826728787879, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.032608111212121, 0.086372760000000 ] - [ 0.000000000000000, 0.063040740000000, 0.003639711212121 ] - # 18 (H) - [ 0.003639711212121, 0.063040740000000, 0.000000000000000 ] - [ 0.086372760000000, 0.032608111212121, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.789826728787879 ] - # 19 (H) - [ 0.032608111212121, 0.000000000000000, -0.086372760000000 ] - [ 0.000000000000000, -0.789826728787879, 0.000000000000000 ] - [ -0.063040740000000, 0.000000000000000, 0.003639711212121 ] - # 20 (H) - [ 0.003639711212121, 0.000000000000000, -0.063040740000000 ] - [ 0.000000000000000, -0.789826728787879, 0.000000000000000 ] - [ -0.086372760000000, 0.000000000000000, 0.032608111212121 ] - # 21 (H) - [ 0.032608111212121, 0.086372760000000, 0.000000000000000 ] - [ 0.063040740000000, 0.003639711212121, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.789826728787879 ] - # 22 (H) - [ -0.789826728787879, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.003639711212121, -0.063040740000000 ] - [ 0.000000000000000, -0.086372760000000, 0.032608111212121 ] - # 23 (H) - [ -0.789826728787879, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.032608111212121, -0.086372760000000 ] - [ 0.000000000000000, -0.063040740000000, 0.003639711212121 ] - # 24 (H) - [ 0.071026651212121, 0.012533430000000, 0.000000000000000 ] - [ 0.012533430000000, 0.071026651212121, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.809942158787879 ] - # 25 (H) - [ 0.071026651212121, 0.000000000000000, -0.012533430000000 ] - [ 0.000000000000000, -0.809942158787879, 0.000000000000000 ] - [ -0.012533430000000, 0.000000000000000, 0.071026651212121 ] - # 26 (H) - [ -0.809942158787879, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.071026651212121, -0.012533430000000 ] - [ 0.000000000000000, -0.012533430000000, 0.071026651212121 ] - # 27 (H) - [ 0.071026651212121, -0.012533430000000, 0.000000000000000 ] - [ -0.012533430000000, 0.071026651212121, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.809942158787879 ] - # 28 (H) - [ 0.071026651212121, 0.000000000000000, 0.012533430000000 ] - [ 0.000000000000000, -0.809942158787879, 0.000000000000000 ] - [ 0.012533430000000, 0.000000000000000, 0.071026651212121 ] - # 29 (H) - [ -0.809942158787879, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.071026651212121, 0.012533430000000 ] - [ 0.000000000000000, 0.012533430000000, 0.071026651212121 ] - # 30 (H) - [ -0.903466218787879, 0.029397260000000, -0.029397260000000 ] - [ 0.029397260000000, -0.903466218787879, -0.029397260000000 ] - [ -0.029397260000000, -0.029397260000000, -0.903466218787879 ] - # 31 (H) - [ -0.903466218787879, -0.029397260000000, 0.029397260000000 ] - [ -0.029397260000000, -0.903466218787879, -0.029397260000000 ] - [ 0.029397260000000, -0.029397260000000, -0.903466218787879 ] - # 32 (H) - [ -0.903466218787879, -0.029397260000000, -0.029397260000000 ] - [ -0.029397260000000, -0.903466218787879, 0.029397260000000 ] - [ -0.029397260000000, 0.029397260000000, -0.903466218787879 ] - # 33 (H) - [ -0.903466218787879, 0.029397260000000, 0.029397260000000 ] - [ 0.029397260000000, -0.903466218787879, 0.029397260000000 ] - [ 0.029397260000000, 0.029397260000000, -0.903466218787879 ] dielectric_constant: - [ 5.127067440000002, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.127067440000002, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.127067440000002 ] unit_conversion_factor: 14.399652dataset: displacements: - # 1 - [ -0.0279217555614928, 0.0086267317795106, 0.0067790165340282 ] - [ -0.0276080651514899, -0.0090839468395444, 0.0074348267234292 ] - [ 0.0274568217375920, -0.0095372869308584, 0.0074271864167106 ] - [ -0.0201205784840268, 0.0108466458073865, -0.0194296833787178 ] - [ 0.0151081572958398, 0.0094173844780088, -0.0241465619233364 ] - [ -0.0109834100081366, 0.0187815028503266, -0.0206547780253465 ] - [ -0.0054750961538764, 0.0032156900887085, -0.0293203454849903 ] - [ -0.0238564350340431, 0.0092670060767978, -0.0156522556150567 ] - [ -0.0270171674300078, -0.0028317963538148, 0.0127300272375769 ] - [ 0.0031313318705897, 0.0297534606715055, -0.0022195357139283 ] - [ -0.0171161809680829, 0.0175550153729226, 0.0172875037042451 ] - [ 0.0095597013416109, -0.0135500527919370, 0.0250001635913632 ] - [ 0.0125684764430642, -0.0000787729366924, 0.0272401761140523 ] - 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[ -0.0624342600000000, 0.0603304200000000, 0.1197648700000000 ] - [ 0.0437547900000000, 0.0300837000000000, -0.0277759300000000 ] - # 81 - [ 0.0564613700000000, 0.0699610800000000, -0.1754131900000000 ] - [ -0.2110717700000000, 0.1433973500000000, 0.1468342000000000 ] - [ 0.1100120200000000, -0.1169319100000000, 0.0362416300000000 ] - [ -0.0214506000000000, 0.0492892700000000, -0.1809002500000000 ] - [ 0.1256562200000000, -0.0458428500000000, 0.1107409800000000 ] - [ -0.1057755800000000, 0.1499055500000000, -0.1210607700000000 ] - [ 0.0957857500000000, 0.0476453500000000, -0.1056531100000000 ] - [ -0.1471544700000000, -0.2605399800000000, -0.0034391900000000 ] - [ 0.2942387100000000, 0.0677103000000000, 0.9470690199999999 ] - [ -0.2491511200000000, 0.1227281300000000, 1.0194817899999999 ] - [ 0.5360807299999999, -0.6926354500000000, -0.1054569700000000 ] - [ 0.0061092200000000, -0.0480028900000000, -0.1184648600000000 ] - [ -0.0491520800000000, -0.0043452300000000, 0.0187698500000000 ] - 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[ -0.0727109300000000, 0.0383715300000000, 0.0368125200000000 ] - [ 0.0761414100000000, 0.0801482300000000, -0.0815916000000000 ] - [ 0.0088261800000000, -0.0814011700000000, -0.0019310700000000 ] - [ -0.0066395500000000, -0.0763301600000000, -0.0182781300000000 ] - [ 0.0165835800000000, 0.0938116800000000, 0.1464563200000000 ] - # 82 - [ 0.1215023500000000, -0.0161995400000000, 0.2138101200000000 ] - [ 0.1723078400000000, -0.0066247300000000, -0.1702341800000000 ] - [ -0.1979167700000000, -0.0653976800000000, -0.1559690600000000 ] - [ -0.0532784200000000, -0.1551140900000000, 0.0357599900000000 ] - [ -0.0827350900000000, -0.0024398500000000, -0.2275468700000000 ] - [ -0.1415628600000000, 0.1939066100000000, 0.1386696700000000 ] - [ -0.0285813500000000, 0.1630615600000000, 0.2351148700000000 ] - [ 0.1646755600000000, -0.0661574600000000, -0.1921585800000000 ] - [ -0.2184400300000000, -0.6778122300000000, 0.2871688000000000 ] - [ -0.2358633500000000, 0.4587040700000000, 0.4402908500000000 ] - [ 0.5164505599999999, -0.5275287000000000, 0.7106049000000001 ] - [ -0.0235852600000000, -0.0186915200000000, 0.0038084700000000 ] - [ -0.0386189100000000, -0.1959534000000000, -0.0387842700000000 ] - [ -0.0154197900000000, -0.0074320000000000, 0.0130774800000000 ] - [ 0.0342569100000000, 0.3448907700000000, -0.0629867500000000 ] - [ -0.0619275800000000, 0.0651945800000000, -0.2609186200000000 ] - [ -0.1143224700000000, -0.0009423700000000, -0.0773663600000000 ] - [ 0.0241779200000000, -0.0171398200000000, -0.1072521600000000 ] - [ -0.0365597400000000, 0.4864186900000000, -0.0305206900000000 ] - [ 0.0516830400000000, -0.0415709100000000, 0.0095069600000000 ] - [ -0.0278257000000000, 0.0545212000000000, -0.3356475800000000 ] - [ 0.0454123100000000, 0.0946723700000000, 0.0347653900000000 ] - [ 0.2846406500000000, -0.1058931400000000, -0.0823277100000000 ] - [ 0.0735725600000000, 0.0833913100000000, 0.1556625300000000 ] - [ -0.0925560500000000, -0.1473987700000000, 0.0242356600000000 ] - [ -0.2216254000000000, -0.0154405600000000, 0.0103501200000000 ] - [ 0.0865836000000000, 0.0274175700000000, -0.4385265200000000 ] - [ 0.0101698600000000, 0.0352523900000000, -0.0631252900000000 ] - [ -0.0345467200000000, 0.0107723200000000, 0.0058347400000000 ] - [ 0.0323623800000000, 0.1180410300000000, 0.0454321600000000 ] - [ -0.0144445000000000, 0.0385852400000000, -0.0946349300000000 ] - [ 0.0565662000000000, -0.0875729200000000, -0.0585444100000000 ] - [ -0.0345517700000000, -0.0195200100000000, 0.0324512200000000 ] - # 83 - [ -0.1587629000000000, 0.0792314100000000, 0.1618809500000000 ] - [ 0.1700932300000000, 0.1430798600000000, 0.0137858700000000 ] - [ 0.1218344500000000, 0.0197309500000000, 0.0322557500000000 ] - [ -0.0998923300000000, -0.0873629200000000, 0.0996860900000000 ] - [ -0.1981455000000000, -0.0196151400000000, 0.0551212000000000 ] - [ -0.0169858100000000, 0.1561228100000000, -0.1031224000000000 ] - [ -0.2592914600000000, 0.2409298300000000, 0.2194341200000000 ] - 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[ -0.0323440300000000, -0.0788824900000000, -0.1045446000000000 ] - [ 0.0782606400000000, 0.1277427200000000, -0.2377988100000000 ] - [ 0.0493373900000000, 0.3235395300000000, -0.1161816200000000 ] - [ -0.2273261400000000, 0.0812380700000000, -0.0337657900000000 ] - [ 0.0361209100000000, -0.0292481000000000, 0.2751933300000000 ] - [ 0.0217070600000000, -0.2684167300000000, -0.0028335600000000 ] - [ 0.0283506200000000, 0.0912425100000000, 0.0891584000000000 ] - [ -0.0008079400000000, -0.0075891800000000, 0.0594227300000000 ] - [ 0.1236660600000000, -0.0561449200000000, 0.0741549500000000 ] - [ 0.1821649200000000, -0.1545900800000000, -0.2128899300000000 ] - [ -0.1067669100000000, -0.0402400100000000, -0.1186045500000000 ] - # 84 - [ -0.0168065200000000, -0.0033243800000000, 0.1053693900000000 ] - [ 0.1473382000000000, 0.0096892900000000, -0.2203656600000000 ] - [ 0.0312532500000000, 0.0385340400000000, -0.2011731600000000 ] - [ -0.0516559700000000, 0.0563602200000000, -0.1842882500000000 ] - 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[ 0.0265704800000000, -0.1571512300000000, -0.0861956700000000 ] - [ 0.0338480100000000, 0.0017653600000000, 0.3086869900000000 ] - [ -0.2794881900000000, 0.0827458700000000, -0.0166718500000000 ] - [ 0.3030337200000000, -0.0086420500000000, -0.0928767200000000 ] - [ 0.0899241300000000, 0.1394935000000000, -0.4247168200000001 ] - [ 0.1783727500000000, 0.0095416200000000, -0.1876244900000000 ] - [ -0.4025756800000000, 0.0860782900000000, -0.0622303100000000 ] - [ -0.1052660600000000, 0.1230201500000000, -0.0504851100000000 ] - [ -0.0487679800000000, -0.0542738000000000, -0.0977542100000000 ] - [ -0.0972081500000000, 0.0073226100000000, 0.0598485100000000 ] - [ 0.1557730000000000, 0.1205785500000000, -0.0936110600000000 ] - [ -0.0059079400000000, 0.0537626500000000, 0.1135239600000000 ] - [ -0.0106340600000000, -0.0524131200000000, 0.0561067600000000 ] - [ -0.0668990000000000, 0.0175056800000000, 0.0532578600000000 ] - # 85 - [ -0.1056995700000000, 0.1799106100000000, -0.0605903900000000 ] - 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# 86 - [ 0.1003566100000000, 0.0727118200000000, -0.0905778700000000 ] - [ -0.0278911300000000, -0.1259657600000000, 0.0008129100000000 ] - [ 0.0375627100000000, 0.0970009300000000, -0.0597210200000000 ] - [ 0.1347801800000000, -0.1828464900000000, 0.0021304500000000 ] - [ 0.1320543200000000, 0.1041147500000000, 0.0215438600000000 ] - [ -0.1521710300000000, 0.2020381200000000, 0.0228416400000000 ] - [ -0.1989588800000000, 0.1556518700000000, 0.2096420000000000 ] - [ -0.0210340400000000, -0.1052240900000000, -0.1504990700000000 ] - [ -0.0997878000000000, -0.6596742300000000, 0.3663580300000000 ] - [ -0.0148552100000000, 0.9695855299999999, 0.8260495600000001 ] - [ -0.1524461700000000, 1.0975392100000001, -0.5759912500000000 ] - [ 0.0571583200000000, -0.0369959400000000, -0.2307213300000000 ] - [ -0.0035589000000000, -0.3443288800000000, 0.0798247900000000 ] - [ 0.1681630900000000, 0.0363018800000000, -0.1038110200000000 ] - [ 0.0657223000000000, 0.1529927100000000, -0.1088269200000000 ] - 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[ 0.2892266500000000, -0.0552764400000000, -0.1125295200000000 ] - [ -0.0084387200000000, -0.0649535900000000, -0.1549125500000000 ] - [ 0.0374058100000000, 0.0335985600000000, -0.0063522100000000 ] - [ 0.1590717400000000, 0.0104260200000000, 0.0479717400000000 ] - [ -0.1111465000000000, 0.0450466400000000, 0.3512001900000000 ] - [ 0.1074140600000000, -0.1321538100000000, 0.0426493700000000 ] - [ -0.0582591500000000, -0.0907566700000000, -0.0064255600000000 ] - [ -0.0654236800000000, -0.1533372600000000, 0.1213304300000000 ] - [ 0.1130374800000000, -0.0793786500000000, 0.0474968900000000 ] - [ -0.1159866600000000, 0.0553528500000000, 0.0974714900000000 ] - [ 0.0189539400000000, -0.0674377000000000, -0.0542580600000000 ] - # 97 - [ -0.0518726400000000, -0.2126044000000000, -0.2048916700000000 ] - [ -0.1419587100000000, 0.1141176700000000, 0.1486510400000000 ] - [ -0.0388834800000000, 0.0045413300000000, 0.2948130300000000 ] - [ 0.1721642400000000, -0.0375082000000000, -0.0502502600000000 ] - [ -0.0206805200000000, 0.0404899000000000, 0.0190760100000000 ] - [ -0.0446720700000000, -0.0300998300000000, -0.2388814600000000 ] - [ -0.2978087800000000, 0.3109966300000000, 0.1279212700000000 ] - [ 0.0716225700000000, 0.0742742300000000, 0.2945572700000000 ] - [ 0.0710741600000000, 0.2759903100000000, 0.5362781500000000 ] - [ 0.9359354100000000, 0.3124161600000000, -0.0960987900000000 ] - [ 0.7569660300000000, 0.3213648500000000, -0.2411724700000000 ] - [ -0.0653819600000000, -0.0282264100000000, -0.2979193000000001 ] - [ 0.0012086400000000, 0.0839111800000000, -0.0275097000000000 ] - [ 0.0168595200000000, 0.0798739300000000, -0.0463681800000000 ] - [ 0.0620677600000000, -0.0411358900000000, -0.0484114800000000 ] - [ -0.0158891800000000, 0.0552804300000000, 0.1498473200000000 ] - [ -0.4516328900000000, 0.0231850800000000, -0.0465572300000000 ] - [ -0.1174082100000000, 0.0380921700000000, 0.2739232600000000 ] - [ -0.0254175500000000, -0.3991822100000000, 0.0186800400000000 ] - [ -0.0555005700000000, -0.3005789200000000, -0.0333923700000000 ] - [ -0.0441462600000000, -0.0096812400000000, -0.1470379400000000 ] - [ 0.1279983500000000, -0.0543986100000000, -0.0717803800000000 ] - [ -0.2415080300000000, 0.0225780000000000, 0.0866670800000000 ] - [ -0.0493849500000000, -0.0492870400000000, -0.1936935800000000 ] - [ 0.0383439700000000, -0.0959463900000000, -0.0479707300000000 ] - [ -0.1933829700000000, 0.0067696500000000, 0.0096076300000000 ] - [ -0.0165997700000000, -0.0238751200000000, 0.0612195800000000 ] - [ 0.0265896400000000, -0.1015843300000000, 0.0616579700000000 ] - [ -0.4611683700000000, -0.1069613900000000, -0.0814005500000000 ] - [ -0.0064473800000000, -0.1172001300000000, 0.0513053800000000 ] - [ -0.0631233200000000, 0.0535282800000000, -0.0438030700000000 ] - [ 0.1193318100000000, -0.0935784100000000, -0.1536119700000000 ] - [ 0.0027055300000000, -0.1155612800000000, -0.0634539400000000 ] - # 98 - [ 0.2414597600000000, 0.0271602100000000, -0.0971096100000000 ] - [ -0.0923431100000000, -0.1348566000000000, -0.0000787200000000 ] - [ -0.1608245300000000, -0.0528317200000000, 0.1628478200000000 ] - [ -0.0771478200000000, -0.1072176200000000, -0.1351944600000000 ] - [ 0.1650104700000000, 0.0237761300000000, 0.0126595100000000 ] - [ -0.1916874800000000, 0.1536129800000000, -0.3209551000000000 ] - [ 0.2213002900000000, -0.1995347400000000, -0.0988411900000000 ] - [ 0.0988556000000000, -0.0442961200000000, 0.0755319300000000 ] - [ -0.2966692900000000, 0.7836853000000000, 0.2755123900000000 ] - [ 0.6788079400000000, 0.5473384400000000, 0.7921044200000000 ] - [ 0.5039386899999999, -0.4503702500000000, 0.2059771500000000 ] - [ -0.0377896600000000, 0.0496027400000000, -0.4562436400000000 ] - [ -0.0639471600000000, 0.0553342900000000, 0.0147906200000000 ] - [ 0.1460487000000000, -0.0263312700000000, -0.0834673100000000 ] - [ -0.0544007500000000, -0.3366633400000000, -0.0400935900000000 ] - [ -0.0382198900000000, 0.0643726100000000, -0.1818528600000000 ] - [ -0.4577282900000000, 0.0009299300000000, 0.0041417800000000 ] - [ -0.0170209800000000, 0.0320963100000000, -0.1263372500000000 ] - [ -0.0373460000000000, 0.0993062200000000, 0.0473792800000000 ] - [ -0.0393350900000000, -0.2043965900000000, -0.0325869800000000 ] - [ -0.0040861400000000, 0.0296400700000000, -0.2130094500000000 ] - [ 0.0829145200000000, 0.0175436200000000, -0.0579744300000000 ] - [ -0.1192694100000000, 0.0563060800000000, -0.0711204900000000 ] - [ -0.0539381800000000, -0.1106259700000000, -0.0275350200000000 ] - [ -0.0680520300000000, -0.0001139900000000, 0.0507125200000000 ] - [ -0.1047193000000000, -0.0636997200000000, 0.0920219600000000 ] - [ -0.0764210100000000, 0.0562202300000000, 0.0406313400000000 ] - [ -0.0039358800000000, -0.4700931900000000, -0.0015008400000000 ] - [ -0.2442768800000000, 0.0442180200000000, 0.0718650200000000 ] - [ 0.0194101600000000, 0.0710794700000000, -0.0883348800000000 ] - [ 0.1008906700000000, -0.1056002100000000, 0.0370421000000000 ] - [ -0.0081072300000000, 0.0837423600000000, 0.1268279500000000 ] - [ -0.0113706700000000, 0.1106663300000000, 0.0221899500000000 ] - # 99 - [ -0.0893208800000000, 0.1430290000000000, -0.0003559400000000 ] - [ -0.0196196200000000, -0.1090568700000000, 0.1630655800000000 ] - [ -0.2633125600000000, 0.1068076000000000, -0.0839629000000000 ] - [ -0.2052944500000000, 0.1258072700000000, -0.0120547500000000 ] - [ -0.1192863600000000, -0.1539416300000000, 0.1632145200000000 ] - [ -0.1610911500000000, 0.0471552600000000, 0.0311604900000000 ] - [ 0.3208156000000000, -0.2144760500000000, -0.1956376300000000 ] - [ 0.2659790200000000, 0.1320005400000000, 0.1527472200000000 ] - [ 0.7198225400000000, 0.5124008799999999, 0.4462173500000000 ] - [ 0.1915913200000000, -1.0060239700000000, -0.0910315400000000 ] - [ 0.5109790200000000, -0.5291175000000000, 0.1541917300000000 ] - [ 0.0828468400000000, 0.1529104100000000, -0.0404776800000000 ] - [ -0.0076987900000000, 0.0703074400000000, 0.0181293600000000 ] - [ -0.2141577900000000, 0.0376339800000000, -0.0337355100000000 ] - [ -0.0036544900000000, -0.1978411100000000, -0.1031610000000000 ] - [ -0.0159367500000000, 0.1313683000000000, -0.0652275300000000 ] - [ -0.1329879000000000, 0.0593977800000000, -0.0545801600000000 ] - [ 0.0248850000000000, 0.0337868200000000, 0.1822954800000000 ] - [ -0.0318590800000000, 0.2005958700000000, 0.0613406500000000 ] - [ -0.0402150900000000, -0.1533955000000000, 0.0576156800000000 ] - [ -0.0703847000000000, 0.0686047600000000, -0.1714279100000000 ] - [ -0.1654268500000000, -0.0193709000000000, -0.0729160600000000 ] - [ -0.0756033200000000, -0.0099545900000000, 0.0080458700000000 ] - [ -0.1106247600000000, -0.1210612200000000, 0.0391292300000000 ] - [ -0.0962014200000000, 0.1580236300000000, 0.0935113600000000 ] - [ -0.0207359200000000, 0.1238467600000000, -0.0825621000000000 ] - [ -0.1352963100000000, 0.0915856200000000, -0.3592361600000000 ] - [ -0.0359819600000000, 0.4952109400000000, -0.0582799100000000 ] - [ -0.1773908600000000, 0.0362036300000000, -0.0428549800000000 ] - [ 0.0308770300000000, -0.0391600000000000, -0.0887803500000000 ] - [ 0.0961960500000000, -0.1695076900000000, 0.0296963800000000 ] - [ -0.0129694900000000, 0.1266626400000000, 0.0588073400000000 ] - [ -0.0389419000000000, -0.1304320900000000, -0.1028861900000000 ] - # 100 - [ -0.0433600400000000, 0.0511201000000000, 0.2587728700000000 ] - [ -0.1180982800000000, 0.1811786800000000, 0.1612138300000000 ] - [ 0.2122056400000000, 0.0661921100000000, -0.0202690100000000 ] - [ 0.0888951000000000, -0.1587632200000000, 0.1148496900000000 ] - [ 0.2316992300000000, 0.1871992600000000, -0.1586609900000000 ] - [ -0.0617829700000000, 0.0640632000000000, 0.1069525300000000 ] - [ -0.0243589000000000, 0.1921916300000000, -0.0154529400000000 ] - [ -0.1294985200000000, 0.0327913800000000, -0.1302201100000000 ] - [ 0.2126180300000000, -0.7339951500000000, -0.2570711600000000 ] - [ -0.5519824100000000, -1.1059607699999998, 0.1995869400000000 ] - [ 0.0985633100000000, -1.1204128799999999, 0.1167139200000000 ] - [ -0.0053936600000000, 0.0722457600000000, 0.0749121300000000 ] - [ 0.0278010000000000, 0.1885183600000000, -0.0963046100000000 ] - [ -0.2290054700000000, 0.0490911200000000, -0.0537405600000000 ] - [ 0.0462797300000000, 0.2557756100000000, 0.0476979900000000 ] - [ -0.0509231600000000, 0.0596619600000000, 0.1832112400000000 ] - [ 0.2112129000000000, 0.1196754600000000, -0.0504135000000000 ] - [ -0.0312946200000000, 0.0798654700000000, -0.1882108800000000 ] - [ -0.0552235100000000, 0.6014084000000000, -0.0633495600000000 ] - [ 0.0340394900000000, 0.2135227000000000, 0.0500794700000000 ] - [ -0.0750849600000000, 0.1191483800000000, -0.0785250700000000 ] - [ 0.0215531800000000, -0.0360120700000000, -0.0718530800000000 ] - [ 0.1770826300000000, -0.0638749800000000, -0.0515323100000000 ] - [ -0.0617097400000000, -0.0094243400000000, 0.3771924100000000 ] - [ -0.0702387400000000, 0.4931408900000000, 0.0513350800000000 ] - [ 0.0343847200000000, -0.0336971400000000, 0.0368115900000000 ] - [ 0.0798108700000000, -0.0540362400000000, -0.2251783800000000 ] - [ 0.0700410300000000, 0.4025213300000000, -0.0199456500000000 ] - [ 0.0382572900000000, -0.0350339600000000, -0.0873047900000000 ] - [ -0.1407800100000000, -0.0353008500000000, 0.0527754500000000 ] - [ 0.0579692700000000, 0.0494268100000000, -0.0750129900000000 ] - [ 0.0412682400000000, -0.0019416500000000, -0.1374138200000000 ] - [ -0.0349466500000000, -0.0902853400000000, -0.0516457700000000 ] - # 101 - [ -0.0332681400000000, 0.0665660200000000, -0.1162309000000000 ] - [ -0.0461947600000000, -0.1715713800000000, -0.0590196000000000 ] - [ 0.1421368600000000, -0.0600393500000000, -0.1734217300000000 ] - [ 0.1088672600000000, 0.0331861600000000, 0.0878241700000000 ] - [ -0.0391184600000000, 0.1408987400000000, -0.0025310200000000 ] - [ 0.0004772900000000, 0.1703072200000000, 0.0952371600000000 ] - [ -0.0071066100000000, -0.1017396200000000, -0.0312100400000000 ] - [ -0.1919636000000000, 0.0769716200000000, -0.0560528000000000 ] - [ 0.8371182400000000, 0.8716505500000000, 0.3810244100000000 ] - [ 0.4016298000000000, 0.3498793100000000, 0.2874679600000000 ] - [ -0.3497305700000000, -0.5886400200000000, -1.1308746200000002 ] - [ -0.0887093500000000, -0.0171385000000000, -0.1272466200000000 ] - [ -0.0186399100000000, 0.4120576000000000, 0.0589698600000000 ] - [ -0.3257291600000000, -0.0401878500000000, -0.0859629500000000 ] - [ -0.0864759600000000, -0.3813844200000000, -0.0298321400000000 ] - [ 0.0391544900000000, 0.0941897600000000, 0.3775137000000000 ] - [ -0.0656047100000000, -0.0147691700000000, 0.0475237800000000 ] - [ -0.0679881800000000, -0.0279185800000000, -0.2376759600000000 ] - [ 0.0279845300000000, -0.0022608700000000, 0.1340685400000000 ] - [ -0.0883500100000000, -0.1988633400000000, 0.0104382100000000 ] - [ 0.0001965600000000, 0.0130156200000000, 0.4024056200000000 ] - [ -0.3104579000000000, -0.0725113500000000, -0.0469388200000000 ] - [ -0.0363130900000000, -0.0631242700000000, 0.0099835800000000 ] - [ -0.0998360000000000, -0.1292373100000000, -0.2111934300000000 ] - [ 0.0077733000000000, 0.0586572300000000, -0.0591769600000000 ] - [ -0.0186253900000000, -0.0735200800000000, 0.1493813100000000 ] - [ 0.0302227800000000, -0.0651326100000000, 0.1468830300000000 ] - [ -0.0055640300000000, -0.2034658200000000, -0.0277857600000000 ] - [ 0.2375553400000000, 0.0218086100000000, 0.0660074700000000 ] - [ 0.0452367200000000, -0.0104487900000000, -0.0259159000000000 ] - [ 0.0392461600000000, -0.1291762200000000, 0.0389847800000000 ] - [ -0.0072639900000000, -0.0434765800000000, -0.0133006500000000 ] - [ -0.0306595100000000, 0.0854176900000000, 0.1406562700000000 ] - # 102 - [ 0.0419178500000000, 0.1843216400000000, -0.1525807300000000 ] - [ 0.0271211600000000, -0.0411451900000000, 0.1623145700000000 ] - [ -0.0046929200000000, 0.1872691100000000, 0.0689724500000000 ] - [ -0.0564235700000000, -0.0405075100000000, 0.0325416400000000 ] - [ 0.0937845000000000, -0.0738515700000000, -0.0125013200000000 ] - [ -0.0907434100000000, 0.0788735800000000, -0.0222445100000000 ] - [ 0.0265292100000000, -0.1119210600000000, 0.0499914600000000 ] - [ 0.0074666500000000, 0.1938046600000000, 0.1425850000000000 ] - [ -0.2149786600000000, 0.4419046200000000, -0.8279495800000001 ] - [ -0.0577441400000000, 0.3532224100000000, -0.7003751100000000 ] - [ -0.7461458900000001, -0.2646651200000000, 0.6112303800000001 ] - [ 0.0329026200000000, -0.0327648300000000, 0.1844541900000000 ] - [ 0.0325196900000000, 0.2064328200000000, 0.0164507300000000 ] - [ 0.2959653200000000, -0.0287250400000000, 0.0854838400000000 ] - [ 0.0009239400000000, -0.0913330200000000, 0.0146792900000000 ] - [ -0.0296661100000000, -0.0061887900000000, -0.2752347200000000 ] - [ -0.1625469600000000, -0.0042862200000000, 0.0200727200000000 ] - [ -0.0054840400000000, 0.0127559100000000, 0.1563920200000000 ] - [ 0.0753170900000000, -0.1661080200000000, -0.0138463400000000 ] - [ 0.0017608300000000, -0.2585492000000000, 0.1039101300000000 ] - [ -0.0171896000000000, 0.0659701800000000, -0.1410184500000000 ] - [ -0.1583422300000000, -0.0761163000000000, 0.0238881000000000 ] - [ 0.0464849900000000, -0.0573460500000000, -0.0238423300000000 ] - [ 0.0644375200000000, -0.0057405800000000, 0.3535471300000000 ] - [ -0.0254485200000000, -0.2422121700000000, 0.0909658000000000 ] - [ 0.4891370200000000, 0.0118003400000000, -0.0087621200000000 ] - [ 0.0356299000000000, -0.0037167600000000, 0.1257932300000000 ] - [ 0.0574528300000000, -0.0369378500000000, 0.1249270500000000 ] - [ 0.2093135100000000, -0.0699333100000000, -0.1363060800000000 ] - [ 0.0273836800000000, -0.0815944400000000, 0.0124242600000000 ] - [ -0.0274929400000000, 0.0632184800000000, -0.0689766100000000 ] - [ -0.0052740900000000, -0.0742000100000000, -0.0772005500000000 ] - [ 0.0361247900000000, -0.0317306900000000, 0.0802144000000000 ] - # 103 - [ -0.1469033000000000, -0.1242943300000000, 0.0086668000000000 ] - [ -0.0092698300000000, 0.1423635500000000, 0.1993569200000000 ] - [ 0.1933525700000000, 0.0125345300000000, -0.1158094200000000 ] - [ 0.1428645800000000, -0.1532660700000000, -0.0012114500000000 ] - [ -0.0774144200000000, -0.1197069500000000, -0.0283767800000000 ] - [ 0.2723608800000000, -0.0449331600000000, 0.0798623400000000 ] - [ -0.0204996700000000, -0.0279636300000000, -0.1537194200000000 ] - [ -0.2240444100000000, -0.0843925300000000, 0.0674842300000000 ] - [ -0.4114236900000000, 0.5793395200000000, 0.5499418899999999 ] - [ 0.3878319100000000, 0.0408061200000000, -0.3913605600000000 ] - [ -0.3976543700000000, -0.0930221100000000, -0.6935870100000000 ] - [ 0.0027176700000000, -0.0428616800000000, 0.0531386300000000 ] - [ 0.0107283700000000, -0.2513592000000000, 0.0009988100000000 ] - [ 0.2601844200000000, -0.0048437500000000, -0.0190007300000000 ] - [ -0.0114275300000000, 0.0712190700000000, -0.0350176000000000 ] - [ 0.0811269100000000, 0.0578016500000000, 0.2030811400000000 ] - [ -0.2305998200000000, -0.0099382700000000, 0.0567437000000000 ] - [ -0.0237251600000000, 0.0319993100000000, 0.0858271600000000 ] - [ 0.0399637500000000, 0.3910610800000000, 0.0596315900000000 ] - [ 0.0469415900000000, -0.4727501500000000, 0.0078826300000000 ] - [ 0.0898302300000000, 0.0006225100000000, 0.2847567900000000 ] - [ 0.2997007300000000, 0.0127710000000000, -0.0386474100000000 ] - [ 0.0814406400000000, -0.0845303800000000, -0.0275838100000000 ] - [ 0.1193112400000000, 0.0594284500000000, 0.1744862200000000 ] - [ -0.0790659900000000, 0.1096535300000000, 0.0443591000000000 ] - [ -0.1155074700000000, -0.0066257200000000, 0.0169755800000000 ] - [ -0.0425095800000000, 0.0182441400000000, -0.4332425500000000 ] - [ -0.0283508300000000, 0.0793871600000000, 0.0414278400000000 ] - [ 0.1350442300000000, -0.0751745400000000, -0.0077381400000000 ] - [ -0.0365853100000000, -0.0907870400000000, 0.0175566400000000 ] - [ -0.1449538800000000, 0.1160135000000000, -0.0377001700000000 ] - [ -0.0975505300000000, 0.0063108500000000, 0.0744533100000000 ] - [ -0.0659139400000000, -0.0431064300000000, -0.0436362600000000 ] - # 104 - [ -0.0882163600000000, -0.0241660300000000, 0.0624779000000000 ] - [ -0.0685095700000000, -0.1384574800000000, -0.0001424800000000 ] - [ -0.1709613100000000, -0.0695534200000000, 0.0856627700000000 ] - 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