# Fileset [phonopy_training_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/5cef4b8c-4707-4784-b098-bce79f264d44/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 Sr5Nb4O15 / P-3c1 (165) / materials id 761057](https://mdr.nims.go.jp/datasets/b0615495-ab70-40bf-8e16-99d5535a3568) ## Fulltext phonopy: version: "2.24.2" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "P-3c1" number: 165 Hall_symbol: "-P 3 2\"c"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: - 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symbol: Sr # 9 coordinates: [ 0.333333333333333, 0.666666666666667, 0.529125109999998 ] mass: 87.620000 - symbol: Sr # 10 coordinates: [ 0.333333333333333, 0.666666666666667, 0.859405280000000 ] mass: 87.620000 - symbol: Nb # 11 coordinates: [ 0.666666666666667, 0.333333333333333, 0.302804030000002 ] mass: 92.906380 - symbol: Nb # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.090532359999998 ] mass: 92.906380 - symbol: Nb # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.409467640000002 ] mass: 92.906380 - symbol: Nb # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.590532359999998 ] mass: 92.906380 - symbol: Nb # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.909467640000002 ] mass: 92.906380 - symbol: Nb # 16 coordinates: [ 0.666666666666667, 0.333333333333333, 0.802804030000002 ] mass: 92.906380 - symbol: Nb # 17 coordinates: [ 0.333333333333333, 0.666666666666667, 0.197195969999998 ] mass: 92.906380 - symbol: Nb # 18 coordinates: [ 0.333333333333333, 0.666666666666667, 0.697195969999998 ] mass: 92.906380 - symbol: O # 19 coordinates: [ 0.335009560000007, 0.097726510000006, 0.555134420000003 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.329455120000005, 0.113053620000006, 0.346318469999998 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.451423194999998, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.548576805000002, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.329455120000005, 0.216401499999999, 0.846318469999998 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.335009560000007, 0.237283050000001, 0.055134420000003 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.762716949999999, 0.097726510000006, 0.055134420000003 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.783598500000001, 0.113053620000006, 0.846318469999998 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.886946379999994, 0.216401499999999, 0.346318469999998 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.902273489999994, 0.237283050000001, 0.555134420000003 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.097726510000006, 0.335009560000007, 0.944865579999997 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.762716949999999, 0.664990439999993, 0.555134420000003 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.783598500000001, 0.670544879999995, 0.346318469999998 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.113053620000006, 0.329455120000005, 0.153681530000002 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.451423194999998, 0.750000000000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.548576805000002, 0.250000000000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.886946379999994, 0.670544879999995, 0.846318469999998 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.216401499999999, 0.329455120000005, 0.653681530000002 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.237283050000001, 0.335009560000007, 0.444865579999997 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.902273489999994, 0.664990439999993, 0.055134420000003 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.097726510000006, 0.762716949999999, 0.444865579999997 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.113053620000006, 0.783598500000001, 0.653681530000002 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.451423194999998, 0.451423194999998, 0.250000000000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.548576805000002, 0.548576805000002, 0.750000000000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.216401499999999, 0.886946379999994, 0.153681530000002 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.237283050000001, 0.902273489999994, 0.944865579999997 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.664990439999993, 0.762716949999999, 0.944865579999997 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.670544879999995, 0.783598500000001, 0.153681530000002 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.670544879999995, 0.886946379999994, 0.653681530000002 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.664990439999993, 0.902273489999994, 0.444865579999997 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.176107024174488, 0.101675437813324, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.203350875626649, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.043589749728075 ] # c*unit_cell: lattice: - [ 5.678365213923525, 0.000000000000000, 0.000000000000000 ] # a - [ -2.839182606961762, 4.917608527223631, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.941173240000001 ] # c points: - symbol: Sr # 1 coordinates: [ 0.666666666666667, 0.333333333333333, 0.140594720000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.666666666666667, 0.333333333333333, 0.470874890000002 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.666666666666667, 0.333333333333333, 0.640594720000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.666666666666667, 0.333333333333333, 0.970874890000002 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.333333333333333, 0.666666666666667, 0.029125109999998 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.333333333333333, 0.666666666666667, 0.359405280000000 ] mass: 87.620000 reduced_to: 8 - symbol: Sr # 9 coordinates: [ 0.333333333333333, 0.666666666666667, 0.529125109999998 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.333333333333333, 0.666666666666667, 0.859405280000000 ] mass: 87.620000 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.666666666666667, 0.333333333333333, 0.302804030000002 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.090532359999998 ] mass: 92.906380 reduced_to: 12 - symbol: Nb # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.409467640000002 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.590532359999998 ] mass: 92.906380 reduced_to: 14 - symbol: Nb # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.909467640000002 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 16 coordinates: [ 0.666666666666667, 0.333333333333333, 0.802804030000002 ] mass: 92.906380 reduced_to: 16 - symbol: Nb # 17 coordinates: [ 0.333333333333333, 0.666666666666667, 0.197195969999998 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 18 coordinates: [ 0.333333333333333, 0.666666666666667, 0.697195969999998 ] mass: 92.906380 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.335009560000007, 0.097726510000006, 0.555134420000003 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.329455120000005, 0.113053620000006, 0.346318469999998 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.451423194999998, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.548576805000002, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.329455120000005, 0.216401499999999, 0.846318469999998 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.335009560000007, 0.237283050000001, 0.055134420000003 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.762716949999999, 0.097726510000006, 0.055134420000003 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.783598500000001, 0.113053620000006, 0.846318469999998 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.886946379999994, 0.216401499999999, 0.346318469999998 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.902273489999994, 0.237283050000001, 0.555134420000003 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.097726510000006, 0.335009560000007, 0.944865579999997 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.762716949999999, 0.664990439999993, 0.555134420000003 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.783598500000001, 0.670544879999995, 0.346318469999998 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.113053620000006, 0.329455120000005, 0.153681530000002 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.451423194999998, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.548576805000002, 0.250000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.886946379999994, 0.670544879999995, 0.846318469999998 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.216401499999999, 0.329455120000005, 0.653681530000002 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.237283050000001, 0.335009560000007, 0.444865579999997 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.902273489999994, 0.664990439999993, 0.055134420000003 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.097726510000006, 0.762716949999999, 0.444865579999997 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.113053620000006, 0.783598500000001, 0.653681530000002 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.451423194999998, 0.451423194999998, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.548576805000002, 0.548576805000002, 0.750000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.216401499999999, 0.886946379999994, 0.153681530000002 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.237283050000001, 0.902273489999994, 0.944865579999997 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.664990439999993, 0.762716949999999, 0.944865579999997 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.670544879999995, 0.783598500000001, 0.153681530000002 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.670544879999995, 0.886946379999994, 0.653681530000002 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.664990439999993, 0.902273489999994, 0.444865579999997 ] mass: 15.999400 reduced_to: 48supercell: lattice: - [ 5.678365213923525, 0.000000000000000, 0.000000000000000 ] # a - [ -2.839182606961762, 4.917608527223631, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.941173240000001 ] # c points: - symbol: Sr # 1 coordinates: [ 0.666666666666667, 0.333333333333333, 0.140594720000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.666666666666667, 0.333333333333333, 0.470874890000002 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.666666666666667, 0.333333333333333, 0.640594720000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.666666666666667, 0.333333333333333, 0.970874890000002 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.333333333333333, 0.666666666666667, 0.029125109999998 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.333333333333333, 0.666666666666667, 0.359405280000000 ] mass: 87.620000 reduced_to: 8 - symbol: Sr # 9 coordinates: [ 0.333333333333333, 0.666666666666667, 0.529125109999998 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.333333333333333, 0.666666666666667, 0.859405280000000 ] mass: 87.620000 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.666666666666667, 0.333333333333333, 0.302804030000002 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.090532359999998 ] mass: 92.906380 reduced_to: 12 - symbol: Nb # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.409467640000002 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.590532359999998 ] mass: 92.906380 reduced_to: 14 - symbol: Nb # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.909467640000002 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 16 coordinates: [ 0.666666666666667, 0.333333333333333, 0.802804030000002 ] mass: 92.906380 reduced_to: 16 - symbol: Nb # 17 coordinates: [ 0.333333333333333, 0.666666666666667, 0.197195969999998 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 18 coordinates: [ 0.333333333333333, 0.666666666666667, 0.697195969999998 ] mass: 92.906380 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.335009560000007, 0.097726510000006, 0.555134420000003 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.329455120000005, 0.113053620000006, 0.346318469999998 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.451423194999998, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.548576805000002, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.329455120000005, 0.216401499999999, 0.846318469999998 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.335009560000007, 0.237283050000001, 0.055134420000003 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.762716949999999, 0.097726510000006, 0.055134420000003 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.783598500000001, 0.113053620000006, 0.846318469999998 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.886946379999994, 0.216401499999999, 0.346318469999998 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.902273489999994, 0.237283050000001, 0.555134420000003 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.097726510000006, 0.335009560000007, 0.944865579999997 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.762716949999999, 0.664990439999993, 0.555134420000003 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.783598500000001, 0.670544879999995, 0.346318469999998 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.113053620000006, 0.329455120000005, 0.153681530000002 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.451423194999998, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.548576805000002, 0.250000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.886946379999994, 0.670544879999995, 0.846318469999998 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.216401499999999, 0.329455120000005, 0.653681530000002 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.237283050000001, 0.335009560000007, 0.444865579999997 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.902273489999994, 0.664990439999993, 0.055134420000003 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.097726510000006, 0.762716949999999, 0.444865579999997 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.113053620000006, 0.783598500000001, 0.653681530000002 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.451423194999998, 0.451423194999998, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.548576805000002, 0.548576805000002, 0.750000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.216401499999999, 0.886946379999994, 0.153681530000002 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.237283050000001, 0.902273489999994, 0.944865579999997 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.664990439999993, 0.762716949999999, 0.944865579999997 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.670544879999995, 0.783598500000001, 0.153681530000002 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.670544879999995, 0.886946379999994, 0.653681530000002 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.664990439999993, 0.902273489999994, 0.444865579999997 ] mass: 15.999400 reduced_to: 48nac: born_effective_charge: - # 1 (Sr) - [ 2.745228819791664, -0.218430980000000, 0.000000000000000 ] - [ 0.218430980000000, 2.745228819791669, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 2.055273831666667 ] - # 2 (Sr) - [ 2.797989209791666, -0.091955540000000, 0.000000000000000 ] - [ 0.091955540000000, 2.797989209791667, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.453859581666666 ] - # 3 (Sr) - [ 2.700779879791666, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.700779879791666, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.716220521666666 ] - # 4 (Sr) - [ 2.700779879791666, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.700779879791666, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.716220521666666 ] - # 5 (Sr) - [ 2.745228819791669, 0.218430980000000, 0.000000000000000 ] - [ -0.218430980000000, 2.745228819791664, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 2.055273831666667 ] - # 6 (Sr) - [ 2.797989209791667, 0.091955540000000, 0.000000000000000 ] - [ -0.091955540000000, 2.797989209791666, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.453859581666666 ] - # 7 (Sr) - [ 2.797989209791667, 0.091955540000000, 0.000000000000000 ] - [ -0.091955540000000, 2.797989209791666, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.453859581666666 ] - # 8 (Sr) - [ 2.745228819791669, 0.218430980000000, 0.000000000000000 ] - [ -0.218430980000000, 2.745228819791664, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 2.055273831666667 ] - # 9 (Sr) - [ 2.797989209791666, -0.091955540000000, 0.000000000000000 ] - [ 0.091955540000000, 2.797989209791667, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.453859581666666 ] - # 10 (Sr) - [ 2.745228819791664, -0.218430980000000, 0.000000000000000 ] - [ 0.218430980000000, 2.745228819791669, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 2.055273831666667 ] - # 11 (Nb) - [ 8.264556029791674, 0.551507360000001, 0.000000000000000 ] - [ -0.551507359999999, 8.264556029791661, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.922610721666667 ] - # 12 (Nb) - [ 6.443291469791670, 0.304563040000000, 0.000000000000000 ] - [ -0.304563039999999, 6.443291469791663, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.093504141666666 ] - # 13 (Nb) - [ 6.443291469791663, -0.304563040000001, 0.000000000000000 ] - [ 0.304563039999999, 6.443291469791670, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.093504141666666 ] - # 14 (Nb) - [ 6.443291469791663, -0.304563040000001, 0.000000000000000 ] - [ 0.304563039999999, 6.443291469791670, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.093504141666666 ] - # 15 (Nb) - [ 6.443291469791670, 0.304563040000000, 0.000000000000000 ] - [ -0.304563039999999, 6.443291469791663, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.093504141666666 ] - # 16 (Nb) - [ 8.264556029791661, -0.551507360000001, 0.000000000000000 ] - [ 0.551507359999999, 8.264556029791674, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.922610721666667 ] - # 17 (Nb) - [ 8.264556029791661, -0.551507360000001, 0.000000000000000 ] - [ 0.551507359999999, 8.264556029791674, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.922610721666667 ] - # 18 (Nb) - [ 8.264556029791674, 0.551507360000001, 0.000000000000000 ] - [ -0.551507359999999, 8.264556029791661, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.922610721666667 ] - # 19 (O) - [ -3.288026397434891, -0.428999316886040, 0.649581802519542 ] - [ -0.507105050219356, -1.722364376315108, 0.154188642119902 ] - [ 0.978677946060348, 0.126855279951404, -2.188238268333333 ] - # 20 (O) - [ -3.504787127156068, -1.215280489952330, 1.381035817889042 ] - [ -1.096493646618983, -2.588163606593932, 0.865534401010754 ] - [ 1.223058700277375, 0.870265027687594, -2.357401458333333 ] - # 21 (O) - [ -1.922113671157126, 0.000000000000028, 0.000000000000021 ] - [ -0.000000000000000, -4.673143939259541, -2.049778266055502 ] - [ -0.000000000000000, -1.640224379430399, -2.497626238333333 ] - # 22 (O) - [ -1.922113671157126, 0.000000000000028, 0.000000000000021 ] - [ -0.000000000000000, -4.673143939259541, -2.049778266055502 ] - [ -0.000000000000000, -1.640224379430399, -2.497626238333333 ] - # 23 (O) - [ -3.818347051775744, -0.915459739732755, 1.440092688069179 ] - [ -1.034246583066069, -2.274603681974257, 0.763244901322759 ] - [ 1.365200972141300, 0.624067390916009, -2.357401458333333 ] - # 24 (O) - [ -2.519124962848449, -0.951030500458128, 0.458322182310630 ] - [ -0.872924767124792, -2.491265810901550, 0.485460021758060 ] - [ 0.599198868072268, 0.784132323436148, -2.188238268333333 ] - # 25 (O) - [ -3.288026397434901, 0.428999316886008, -0.649581802519546 ] - [ 0.507105050219356, -1.722364376315098, 0.154188642119902 ] - [ -0.978677946060348, 0.126855279951384, -2.188238268333333 ] - # 26 (O) - [ -3.504787127156089, 1.215280489952312, -1.381035817889060 ] - [ 1.096493646618984, -2.588163606593910, 0.865534401010754 ] - [ -1.223058700277375, 0.870265027687570, -2.357401458333333 ] - # 27 (O) - [ -3.818347051775764, 0.915459739732724, -1.440092688069195 ] - [ 1.034246583066069, -2.274603681974236, 0.763244901322759 ] - [ -1.365200972141300, 0.624067390915981, -2.357401458333333 ] - # 28 (O) - [ -2.519124962848467, 0.951030500458128, -0.458322182310640 ] - [ 0.872924767124792, -2.491265810901532, 0.485460021758060 ] - [ -0.599198868072268, 0.784132323436136, -2.188238268333333 ] - # 29 (O) - [ -1.708434800341650, 0.404872583572120, 0.191259620208916 ] - [ 0.482978316905436, -3.301955973408351, -0.639648663877962 ] - [ 0.379479077988080, -0.910987603387532, -2.188238268333333 ] - # 30 (O) - [ -1.708434800341639, -0.404872583572087, -0.191259620208903 ] - [ -0.482978316905436, -3.301955973408360, -0.639648663877962 ] - [ -0.379479077988080, -0.910987603387540, -2.188238268333333 ] - # 31 (O) - [ -1.816291921693170, 0.121640485219607, 0.059056870180153 ] - [ 0.240427328552914, -4.276658812056829, -1.628779302333512 ] - [ 0.142142271863925, -1.494332418603576, -2.357401458333333 ] - # 32 (O) - [ -1.816291921693165, -0.121640485219556, -0.059056870180120 ] - [ -0.240427328552914, -4.276658812056835, -1.628779302333512 ] - [ -0.142142271863925, -1.494332418603579, -2.357401458333333 ] - # 33 (O) - [ -3.985386372233924, -1.191231049378319, 1.775160050529274 ] - [ -1.191231049378301, -2.609871238182742, 1.024889133027750 ] - [ 1.420475980493289, 0.820112189715214, -2.497626238333333 ] - # 34 (O) - [ -3.985386372233924, -1.191231049378319, 1.775160050529274 ] - [ -1.191231049378301, -2.609871238182742, 1.024889133027750 ] - [ 1.420475980493289, 0.820112189715214, -2.497626238333333 ] - # 35 (O) - [ -1.816291921693165, -0.121640485219556, -0.059056870180120 ] - [ -0.240427328552914, -4.276658812056835, -1.628779302333512 ] - [ -0.142142271863925, -1.494332418603579, -2.357401458333333 ] - # 36 (O) - [ -1.816291921693170, 0.121640485219607, 0.059056870180153 ] - [ 0.240427328552914, -4.276658812056829, -1.628779302333512 ] - [ 0.142142271863925, -1.494332418603576, -2.357401458333333 ] - # 37 (O) - [ -1.708434800341639, -0.404872583572087, -0.191259620208903 ] - [ -0.482978316905436, -3.301955973408360, -0.639648663877962 ] - [ -0.379479077988080, -0.910987603387540, -2.188238268333333 ] - # 38 (O) - [ -1.708434800341650, 0.404872583572120, 0.191259620208916 ] - [ 0.482978316905436, -3.301955973408351, -0.639648663877962 ] - [ 0.379479077988080, -0.910987603387532, -2.188238268333333 ] - # 39 (O) - [ -2.519124962848467, 0.951030500458128, -0.458322182310640 ] - [ 0.872924767124792, -2.491265810901532, 0.485460021758060 ] - [ -0.599198868072268, 0.784132323436136, -2.188238268333333 ] - # 40 (O) - [ -3.818347051775764, 0.915459739732724, -1.440092688069195 ] - [ 1.034246583066069, -2.274603681974236, 0.763244901322759 ] - [ -1.365200972141300, 0.624067390915981, -2.357401458333333 ] - # 41 (O) - [ -3.985386372233949, 1.191231049378291, -1.775160050529295 ] - [ 1.191231049378301, -2.609871238182718, 1.024889133027751 ] - [ -1.420475980493289, 0.820112189715185, -2.497626238333333 ] - # 42 (O) - [ -3.985386372233949, 1.191231049378291, -1.775160050529295 ] - [ 1.191231049378301, -2.609871238182718, 1.024889133027751 ] - [ -1.420475980493289, 0.820112189715185, -2.497626238333333 ] - # 43 (O) - [ -3.504787127156089, 1.215280489952312, -1.381035817889060 ] - [ 1.096493646618984, -2.588163606593910, 0.865534401010754 ] - [ -1.223058700277375, 0.870265027687570, -2.357401458333333 ] - # 44 (O) - [ -3.288026397434901, 0.428999316886008, -0.649581802519546 ] - [ 0.507105050219356, -1.722364376315098, 0.154188642119902 ] - [ -0.978677946060348, 0.126855279951384, -2.188238268333333 ] - # 45 (O) - [ -2.519124962848449, -0.951030500458128, 0.458322182310630 ] - [ -0.872924767124792, -2.491265810901550, 0.485460021758060 ] - [ 0.599198868072268, 0.784132323436148, -2.188238268333333 ] - # 46 (O) - [ -3.818347051775744, -0.915459739732755, 1.440092688069179 ] - [ -1.034246583066069, -2.274603681974257, 0.763244901322759 ] - [ 1.365200972141300, 0.624067390916009, -2.357401458333333 ] - # 47 (O) - [ -3.504787127156068, -1.215280489952330, 1.381035817889042 ] - [ -1.096493646618983, -2.588163606593932, 0.865534401010754 ] - [ 1.223058700277375, 0.870265027687594, -2.357401458333333 ] - # 48 (O) - [ -3.288026397434891, -0.428999316886040, 0.649581802519542 ] - [ -0.507105050219356, -1.722364376315108, 0.154188642119902 ] - [ 0.978677946060348, 0.126855279951404, -2.188238268333333 ] dielectric_constant: - [ 5.358659170000002, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.358659170000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.602985860000001 ] unit_conversion_factor: 14.399652dataset: displacements: - # 1 - [ 0.0279933401517257, -0.0102500424880806, -0.0033629653792931 ] - [ -0.0164315003194048, -0.0234914045070177, -0.0088407981280577 ] - [ 0.0203380664638307, 0.0220460256827818, 0.0005794860713851 ] - [ 0.0265558647509950, -0.0137837037647004, -0.0021898762188410 ] - [ -0.0241567040992101, -0.0048671608823642, -0.0171103592016179 ] - [ 0.0096754893161647, -0.0117496390329108, 0.0258520964157471 ] - [ 0.0138813348789998, -0.0252273110056564, -0.0084196984150828 ] - [ 0.0184768906957123, -0.0086632100554265, -0.0219898454236099 ] - [ -0.0257865248924727, 0.0148053125387756, -0.0039821921850984 ] - [ 0.0029920213855614, 0.0036140877435149, -0.0296308315409898 ] - [ 0.0197438691352676, 0.0197274458879811, 0.0110003413722576 ] - [ 0.0267727026764251, -0.0132921485899157, 0.0025575725333491 ] - [ -0.0065702021746431, 0.0240678711695390, 0.0166604327900204 ] - [ 0.0143098102163988, 0.0253971076029772, 0.0070863429901075 ] - [ 0.0087055270193157, -0.0118585504579985, -0.0261455269664061 ] - [ -0.0285490183799785, -0.0064557345533883, -0.0065785287804980 ] - [ 0.0128052828742395, -0.0269658993707950, 0.0029774152607362 ] - [ 0.0154110580462066, 0.0250616078282052, 0.0058664386949574 ] - [ 0.0149233421977257, 0.0083874500508279, -0.0246362444235002 ] - [ 0.0207677210219603, 0.0135613353728018, -0.0168757798771026 ] - [ -0.0024255876156837, -0.0229306239360882, 0.0191912222284132 ] - [ -0.0031041486157579, -0.0292902706598051, 0.0056959903481876 ] - [ -0.0128367703622585, -0.0226569896680402, 0.0148955747069042 ] - [ -0.0049598985344142, -0.0290350360130427, 0.0056891203405824 ] - [ 0.0115886030399398, 0.0197897991074102, -0.0193408410073359 ] - [ 0.0042630888997868, 0.0126771728997989, -0.0268535911993372 ] - [ 0.0189817956230371, -0.0138859161363198, -0.0186245206107524 ] - [ -0.0168880035339659, 0.0174992682051418, -0.0175661876604250 ] - [ -0.0121569311228425, -0.0026485419848981, 0.0272982462995097 ] - [ 0.0183195808909030, -0.0021828609701941, 0.0236564594554313 ] - [ 0.0009222011446955, 0.0071995098694226, 0.0291087032120775 ] - [ 0.0233526408063313, -0.0173767945803850, 0.0072595576643189 ] - [ -0.0112889504671319, 0.0277673438945167, -0.0012386324694137 ] - [ 0.0063567645975176, 0.0219054493447140, 0.0194869913752204 ] - [ 0.0200864793875405, 0.0123009216865094, 0.0185801149478758 ] - [ 0.0062159807717008, -0.0044838460896487, 0.0290044256500657 ] - [ 0.0265299949402455, -0.0102819241180462, 0.0095100686065499 ] - [ -0.0087003103496479, -0.0161099147907457, -0.0237650004261461 ] - [ 0.0219025199928307, 0.0001332990224506, 0.0205002890061156 ] - [ -0.0291605534083786, -0.0069420388814385, -0.0012125267360735 ] - [ -0.0044248587013086, 0.0292130448531844, 0.0051979453517029 ] - [ 0.0287068413015648, -0.0018893219543382, -0.0085057465891965 ] - [ -0.0259911156343599, -0.0051943325347585, -0.0140527868268070 ] - [ 0.0159698628204340, -0.0096994845720926, -0.0234709071092759 ] - [ 0.0045715741240104, -0.0225549001984252, 0.0192451860751659 ] - [ 0.0127792978363445, -0.0269809261202773, -0.0029528244956550 ] - [ -0.0017507500289063, 0.0023547567700833, 0.0298561550587150 ] - [ -0.0242201163254528, 0.0009153192594457, -0.0176790315298894 ] - # 2 - [ 0.0245325728647331, 0.0004652667488115, 0.0172608341481231 ] - [ -0.0157683613070534, -0.0140233746260796, 0.0213237835710938 ] - [ 0.0133619774132396, -0.0205366289892619, -0.0173119735837796 ] - [ 0.0242618605950340, 0.0176043396363467, 0.0012038880493158 ] - [ 0.0261647158140228, 0.0131167207607130, 0.0065847765988607 ] - [ 0.0175419882686379, 0.0137431442015306, -0.0200849355248880 ] - [ -0.0229679671835558, -0.0192066283291709, 0.0018915368566840 ] - [ 0.0086756645897739, 0.0035099084628765, -0.0285028662858312 ] - [ 0.0126490596521187, -0.0201750049652519, 0.0182474783071306 ] - [ 0.0225693732596022, -0.0151898698600582, -0.0126448109635238 ] - [ 0.0046871756121011, -0.0220841848900576, -0.0197564967168544 ] - [ 0.0219520286459635, -0.0185632360249625, 0.0085740717636566 ] - [ 0.0198466602099256, 0.0202682038657980, -0.0097626835740081 ] - [ -0.0265412992681589, 0.0138170363476402, -0.0021561400061258 ] - [ 0.0115672820848030, 0.0205327904040674, 0.0185634722881585 ] - [ -0.0178450725624826, -0.0240966569417745, -0.0009510570278175 ] - [ -0.0184368794523199, -0.0209734560459920, 0.0109633761929191 ] - [ -0.0237596854926259, 0.0147955121131937, 0.0107967664881594 ] - [ -0.0208528132778162, 0.0011905453881007, 0.0215346878333400 ] - [ 0.0079655168439845, -0.0280873350597644, -0.0069030537190964 ] - [ 0.0268084649310753, -0.0130790316425353, 0.0032008029200292 ] - [ -0.0058700703847478, 0.0095565578307244, 0.0278247098117146 ] - [ 0.0291976008138788, -0.0067739603692857, 0.0012702628187632 ] - [ 0.0088365677178589, -0.0248698551903534, -0.0142620255846969 ] - [ -0.0241279629129383, 0.0177295402751427, -0.0018721130585423 ] - [ 0.0051312226456255, 0.0098723723234440, 0.0278604884894059 ] - [ 0.0048071193964737, -0.0281299486313888, -0.0092518967300480 ] - [ 0.0069483535848868, -0.0044375904811851, 0.0288448985642294 ] - [ -0.0159785925136316, -0.0241649685358697, -0.0077935150570037 ] - [ -0.0191520961693621, -0.0081552037974764, 0.0216030058867078 ] - 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# 95 - [ 0.1203583400000000, -0.0420826600000000, -0.0289340200000000 ] - [ 0.1094676600000000, 0.0690752800000000, 0.2801491300000000 ] - [ -0.0662273700000000, 0.0868310900000000, 0.1708886100000000 ] - [ -0.0823250700000000, -0.0897681500000000, -0.0969187400000000 ] - [ 0.1513048100000000, 0.1634869300000000, 0.0318396200000000 ] - [ 0.1063074200000000, -0.0945342100000000, -0.0572645200000000 ] - [ 0.0919122600000000, 0.0784974200000000, 0.1118588200000000 ] - [ -0.1377207600000000, -0.1739246600000000, -0.0058765700000000 ] - [ -0.1674860600000000, 0.2022740100000000, 0.2303372100000000 ] - [ 0.2257227900000000, 0.1226136200000000, -0.0180834400000000 ] - [ 0.2289175000000000, 0.8164903700000000, 0.3945178600000000 ] - [ -0.6606798000000000, -0.8346301800000000, -0.4588075800000000 ] - [ 0.5450687700000000, -0.6151419900000000, -0.5361133800000000 ] - [ 1.0279224700000000, -0.8378647899999999, -0.0325162500000000 ] - [ -1.8987528800000000, 0.0238190800000000, -0.1546360600000000 ] - [ 0.2761069800000000, -0.4556420100000000, -0.6630711700000000 ] - [ 0.2438930800000000, -0.3664524700000000, 0.4314907900000000 ] - [ -0.8862892300000000, 0.2466414400000000, -0.3379602500000000 ] - [ -0.1229377800000000, 0.0364665100000000, -0.1343608300000000 ] - [ 0.2845435900000000, 0.1637725300000000, -0.2608533200000000 ] - [ 0.1522957000000000, -0.3589195900000000, -0.2205139000000000 ] - [ 0.0189556500000000, 0.4932070600000000, 0.1896290000000000 ] - [ -0.1995545900000000, 0.0655889100000000, 0.3067672900000000 ] - [ 0.2300125600000000, 0.1277812500000000, 0.0366856100000000 ] - [ 0.3438662900000000, -0.0968500000000000, 0.0614260200000000 ] - [ -0.2152810100000000, 0.1999039100000000, -0.1653729600000000 ] - [ -0.4821266700000000, 0.1172287700000000, -0.2850548800000000 ] - [ -0.6434970099999999, 0.5881151400000000, -0.3627108400000000 ] - [ 0.1127921400000000, -0.1281060800000000, -0.2221400200000000 ] - [ -0.1037540400000000, -0.2087621500000000, -0.2547023700000000 ] - [ 0.1761345200000000, -0.6735509600000000, -0.4965960400000000 ] - 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[ -0.7009214400000000, -0.1694444100000000, 0.2610998200000000 ] - # 96 - [ 0.0136733200000000, 0.0553074300000000, 0.0971083700000000 ] - [ -0.0661341400000000, 0.2006363600000000, 0.0383626100000000 ] - [ -0.0290350800000000, -0.0125011100000000, -0.0256568200000000 ] - [ -0.2134365700000000, -0.0606193900000000, 0.0186748300000000 ] - [ 0.0150994200000000, 0.1847394000000000, -0.2297612800000000 ] - [ 0.0849962500000000, 0.0904065500000000, -0.1136041100000000 ] - [ 0.0764372100000000, -0.1722459100000000, -0.2309087400000000 ] - [ -0.1801854500000000, 0.1188392900000000, 0.0753222500000000 ] - [ 0.1844414000000000, 0.1919969300000000, 0.1197240000000000 ] - [ 0.1368606800000000, -0.1021461500000000, -0.0087733400000000 ] - [ 0.2757808900000000, 0.0708468400000000, 0.2081842700000000 ] - [ -0.9777419600000000, 1.1285746800000001, 0.6222326000000000 ] - [ -0.2540743400000000, -0.5071001500000000, 0.4444934800000001 ] - [ -0.8745791700000000, -1.2452515099999999, 0.0884051600000000 ] - 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[ -0.4667855900000000, -0.2842431200000000, 0.5755390900000000 ] - [ 0.5369640500000000, 0.0008724200000000, -0.2252082900000000 ] - # 97 - [ -0.1887542100000000, -0.1766464400000000, 0.3418655900000000 ] - [ -0.0234452100000000, -0.0049771500000000, 0.1169498300000000 ] - [ 0.0945416900000000, 0.1124316000000000, -0.0217124600000000 ] - [ 0.0602963100000000, 0.0574589400000000, -0.3552562400000000 ] - [ -0.0696551600000000, -0.0591545600000000, -0.0650403300000000 ] - [ 0.0062576000000000, -0.2552276500000000, 0.1235984200000000 ] - [ 0.1375504800000000, -0.0725997500000000, 0.1953299600000000 ] - [ 0.1421822900000000, -0.2368405200000000, -0.0652793800000000 ] - [ -0.0096552700000000, -0.1461424200000000, -0.0733788100000000 ] - [ 0.1261254200000000, 0.0212461400000000, -0.2596769900000000 ] - [ 0.5912291200000001, 0.3844193500000000, -0.8750580400000000 ] - [ 0.3502165200000000, 0.3700197700000000, 0.6936404700000001 ] - [ -0.2325442000000000, 0.1450121200000000, 0.6408102999999999 ] - 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[ 0.6698885200000000, 0.4425444900000000, -0.5645345200000000 ] - [ -0.0590584300000000, -0.1454252000000000, 0.1594214400000000 ] - [ 0.0573909900000000, 0.0126734600000000, 0.0284527700000000 ] - # 98 - [ -0.2391252000000000, 0.1401595200000000, -0.1209027000000000 ] - [ 0.0198120200000000, -0.1577638200000000, -0.0940196900000000 ] - [ -0.1142841000000000, 0.0332737400000000, 0.0641627700000000 ] - [ -0.1189093400000000, -0.1791614100000000, -0.0731730400000000 ] - [ 0.1604385100000000, -0.1362219000000000, 0.0363744400000000 ] - [ -0.2241357300000000, 0.1233992200000000, 0.0425811900000000 ] - [ 0.0550643800000000, -0.1651754900000000, 0.0444482300000000 ] - [ 0.1246459900000000, -0.1110468800000000, 0.0230231900000000 ] - [ 0.0183885500000000, 0.1402752700000000, -0.0606748700000000 ] - [ 0.1704860700000000, 0.0847151700000000, 0.0405965900000000 ] - [ -0.7951867699999999, 0.7152514900000000, 0.3366656800000000 ] - [ 0.7115259100000000, 0.4489137500000000, -0.1885330400000000 ] - 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[ -0.0139185500000000, -0.0189163000000000, 0.1532697700000000 ] - [ -0.2078929100000000, -0.0514029900000000, -0.0690578900000000 ] - [ 0.0809095000000000, 0.0516157400000000, -0.1707050300000000 ] - [ -0.0958372700000000, 0.0166809400000000, 0.0064301100000000 ] - [ 0.0043871800000000, -0.0463113500000000, 0.1883956400000000 ] - [ 0.1739801600000000, -0.0585044000000000, 0.4228730100000000 ] - [ -0.0066581400000000, 0.1357819400000000, -0.2705546400000000 ] - [ 0.0120718700000000, -0.2223605900000000, -0.0603862900000000 ] - [ -0.0262588900000000, 0.1672474000000000, 1.7834449100000000 ] - [ -0.4609914000000000, 0.3579723700000000, 0.1073990700000000 ] - [ -0.2540735700000000, 0.4519486500000000, 0.7992891500000000 ] - [ 0.6754006600000000, 0.1299725900000000, -0.6729729900000000 ] - [ -1.3773979199999999, 0.2857344700000000, -0.9147923600000000 ] - [ 0.8195802599999999, 0.3330819600000000, 0.3703797600000000 ] - [ -0.0414733300000000, -0.6930647500000000, -0.1831179000000000 ] - [ -0.2987957800000000, -0.3211603900000000, -1.3078354900000000 ] - 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[ 0.1225637900000000, -0.0474410500000000, -0.3175186200000000 ] - [ -0.1656922300000000, 0.2178428200000000, 0.1496746500000000 ] - [ 0.0773930100000000, -0.0177927800000000, 0.3277729700000000 ] - [ 0.2666592900000000, -0.1687906500000000, 0.2094477600000000 ] - [ 0.0363991100000000, 0.1578567500000000, 0.0869658200000000 ] - [ 0.1363465900000000, 0.1542808400000000, 0.1824318600000000 ] - [ -0.1690356200000000, 0.0713081600000000, -0.3117153700000000 ] - [ -0.1791661200000000, -0.1408292200000000, 0.0625455300000000 ] - [ 0.2746974400000000, -0.1429067000000000, -0.2094245900000000 ] - [ -0.2412112700000000, -0.7225878300000000, 0.2309619900000000 ] - [ -1.6938047199999999, -0.3498991800000000, 0.2205948700000000 ] - [ 1.1899186300000002, -0.0644222100000000, -1.3868619599999998 ] - [ -1.2511198000000001, 0.5421625600000001, 0.1709938300000000 ] - [ -1.2928672800000001, -0.0565003000000000, -0.8884923800000000 ] - [ -0.3673081100000000, 0.0576438700000000, 0.1828701400000000 ] - [ 0.8052713200000000, -0.0383758100000000, 0.1114005900000000 ] - 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[ -0.1097632500000000, 0.0132177600000000, -0.1304501700000000 ] - [ 0.0734393800000000, -0.1331379500000000, 0.0592154600000000 ] - [ -0.1481739200000000, -0.0855577900000000, 0.2396602000000000 ] - [ 0.1425192800000000, -0.0981875400000000, -0.1565374900000000 ] - [ -0.0860650200000000, 0.1453208300000000, -0.0156869000000000 ] - [ -0.0441523300000000, 0.2160916100000000, -0.0751465800000000 ] - [ 0.0831147400000000, -0.0021636000000000, 0.0382353500000000 ] - [ 0.0110397400000000, -0.1699164600000000, 0.2182531700000000 ] - [ -0.2615247200000000, 0.1116623000000000, 0.1363025900000000 ] - [ 0.1687704300000000, 0.0517227600000000, -0.2337185700000000 ] - [ -0.0530633600000000, 0.0105373500000000, 1.2082484600000001 ] - [ 0.5632236800000000, -1.4481001800000000, -0.1574402600000000 ] - [ 0.9357604400000000, -0.4657774200000000, 0.1969890800000000 ] - [ 1.1533641500000000, -1.3947383899999999, -0.0024560800000000 ] - [ -0.7779137699999999, 0.0809407200000000, -0.7248376800000000 ] - [ -0.3501014400000000, 0.6031204600000000, -0.5263858900000000 ] - 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# 109 - [ 0.0249651700000000, 0.0215393600000000, 0.1440432300000000 ] - [ 0.0878409800000000, -0.2227562400000000, -0.0472694400000000 ] - [ 0.0522750000000000, 0.2518793400000000, 0.0534417600000000 ] - [ -0.0689331800000000, -0.0569353600000000, -0.0331496900000000 ] - [ -0.0486087000000000, -0.0736884000000000, 0.2211830300000000 ] - [ -0.2168694700000000, -0.1937617900000000, -0.0855828500000000 ] - [ -0.0139177300000000, 0.1517710400000000, -0.0103549500000000 ] - [ -0.0338988800000000, 0.1671165300000000, -0.0367732600000000 ] - [ -0.2297759700000000, -0.0783092000000000, 0.0755923900000000 ] - [ -0.1791262500000000, -0.2541558900000000, -0.1437288200000000 ] - [ 0.0444043400000000, -0.9202025800000000, 0.1545958100000000 ] - [ -0.0443724200000000, 1.2742766400000001, 0.6202478300000001 ] - [ 1.2172510100000000, 0.8310029700000000, 0.2894229100000000 ] - [ 0.3916209600000000, 1.5674036900000001, 0.7211778500000000 ] - [ 0.5991061200000001, 0.1213375200000000, -0.5347616700000000 ] - 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[ -0.2227094100000000, -0.2110709100000000, 0.2021315500000000 ] - [ -0.3568617400000000, -0.0370993900000000, 0.3378209200000000 ] - # 110 - [ 0.1587517700000000, 0.1880285700000000, -0.0582520600000000 ] - [ -0.0242461800000000, 0.0486477500000000, -0.2292489300000000 ] - [ 0.2195593400000000, -0.1190824400000000, -0.1444289900000000 ] - [ -0.0497375500000000, 0.2633696400000000, 0.0970617400000000 ] - [ 0.2343900100000000, -0.0518107300000000, -0.0998989900000000 ] - [ -0.0722256200000000, -0.1152780200000000, 0.0650175800000000 ] - [ 0.0077589300000000, 0.1765072700000000, 0.1746228500000000 ] - [ 0.1998005700000000, -0.0852659400000000, 0.2474817000000000 ] - [ -0.0111060200000000, 0.0423829500000000, -0.4384980400000000 ] - [ -0.1427676000000000, -0.0964241300000000, 0.1659226300000000 ] - [ -0.7431546999999999, 0.2928531700000000, -0.1564847600000000 ] - [ -1.1972785499999998, 0.4962916300000000, 0.4133699800000000 ] - [ 0.3951127400000000, -0.5479408100000001, 1.0706069400000000 ] - 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