# Fileset [phonopy_training_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/834e0ed4-96b0-474c-b6d7-08208e82d6f0/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 Zn4B6SeO12 / I-43m (217) / materials id 14921](https://mdr.nims.go.jp/datasets/567d5544-ba6d-4158-a957-7aaa66251250) ## Fulltext phonopy: version: "2.24.2" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "I-43m" number: 217 Hall_symbol: "I -4 2 3"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -3.840987655000001, 3.840987655000001, 3.840987655000001 ] # a - [ 3.840987655000001, -3.840987655000001, 3.840987655000001 ] # b - [ 3.840987655000001, 3.840987655000001, -3.840987655000001 ] # c points: - symbol: B # 1 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 10.811000 - symbol: B # 2 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 10.811000 - symbol: B # 5 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 10.811000 - symbol: O # 7 coordinates: [ 0.287448339999988, 0.715929829999997, 0.715929829999997 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.000000000000000, 0.571518509999991, 0.284070170000003 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.284070170000003, 0.571518509999991 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.428481490000009, 0.428481490000009, 0.712551660000012 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.284070170000003, 0.571518509999991, 0.000000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.284070170000003, 0.000000000000000, 0.571518509999991 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.428481490000009, 0.712551660000012, 0.428481490000009 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.715929829999997, 0.287448339999988, 0.715929829999997 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.715929829999997, 0.715929829999997, 0.287448339999988 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.571518509999991, 0.284070170000003, 0.000000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.571518509999991, 0.000000000000000, 0.284070170000003 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.712551660000012, 0.428481490000009, 0.428481490000009 ] mass: 15.999400 - symbol: Zn # 19 coordinates: [ 0.353763859999988, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 20 coordinates: [ 0.000000000000000, 0.353763859999988, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.353763859999988 ] mass: 65.380000 - symbol: Zn # 22 coordinates: [ 0.646236140000012, 0.646236140000012, 0.646236140000012 ] mass: 65.380000 - symbol: Se # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.130174852124069, 0.130174852124069 ] # a* - [ 0.130174852124069, 0.000000000000000, 0.130174852124069 ] # b* - [ 0.130174852124069, 0.130174852124069, 0.000000000000000 ] # c*unit_cell: lattice: - [ 7.681975310000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.681975310000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.681975310000001 ] # c points: - symbol: B # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 8 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 9 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 10 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 11 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.572205660000003, 0.143724169999994, 0.143724169999994 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.927794339999997, 0.356275830000006, 0.643724169999994 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.427794339999997, 0.143724169999994, 0.856275830000006 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.356275830000006, 0.356275830000006, 0.072205660000003 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.143724169999994, 0.856275830000006, 0.427794339999997 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.143724169999994, 0.427794339999997, 0.856275830000006 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.856275830000006, 0.572205660000003, 0.856275830000006 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.143724169999994, 0.572205660000003, 0.143724169999994 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.143724169999994, 0.143724169999994, 0.572205660000003 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.856275830000006, 0.143724169999994, 0.427794339999997 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.356275830000006, 0.927794339999997, 0.643724169999994 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.572205660000003, 0.856275830000006, 0.856275830000006 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.072205660000003, 0.643724169999994, 0.643724169999994 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.427794339999997, 0.856275830000006, 0.143724169999994 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.927794339999997, 0.643724169999994, 0.356275830000006 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.856275830000006, 0.856275830000006, 0.572205660000003 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.643724169999994, 0.356275830000006, 0.927794339999997 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.643724169999994, 0.927794339999997, 0.356275830000006 ] mass: 15.999400 reduced_to: 18 - symbol: O # 31 coordinates: [ 0.356275830000006, 0.072205660000003, 0.356275830000006 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.643724169999994, 0.072205660000003, 0.643724169999994 ] mass: 15.999400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.643724169999994, 0.643724169999994, 0.072205660000003 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.356275830000006, 0.643724169999994, 0.927794339999997 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.856275830000006, 0.427794339999997, 0.143724169999994 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.072205660000003, 0.356275830000006, 0.356275830000006 ] mass: 15.999400 reduced_to: 24 - symbol: Zn # 37 coordinates: [ 0.323118070000006, 0.676881929999994, 0.676881929999994 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 38 coordinates: [ 0.676881929999994, 0.323118070000006, 0.676881929999994 ] mass: 65.380000 reduced_to: 38 - symbol: Zn # 39 coordinates: [ 0.176881929999994, 0.176881929999994, 0.823118070000006 ] mass: 65.380000 reduced_to: 39 - symbol: Zn # 40 coordinates: [ 0.323118070000006, 0.323118070000006, 0.323118070000006 ] mass: 65.380000 reduced_to: 40 - symbol: Zn # 41 coordinates: [ 0.823118070000006, 0.176881929999994, 0.176881929999994 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 42 coordinates: [ 0.176881929999994, 0.823118070000006, 0.176881929999994 ] mass: 65.380000 reduced_to: 38 - symbol: Zn # 43 coordinates: [ 0.676881929999994, 0.676881929999994, 0.323118070000006 ] mass: 65.380000 reduced_to: 39 - symbol: Zn # 44 coordinates: [ 0.823118070000006, 0.823118070000006, 0.823118070000006 ] mass: 65.380000 reduced_to: 40 - symbol: Se # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 45supercell: lattice: - [ 7.681975310000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.681975310000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.681975310000001 ] # c points: - symbol: B # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 8 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 9 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 10 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 11 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.572205660000003, 0.143724169999994, 0.143724169999994 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.927794339999997, 0.356275830000006, 0.643724169999994 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.427794339999997, 0.143724169999994, 0.856275830000006 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.356275830000006, 0.356275830000006, 0.072205660000003 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.143724169999994, 0.856275830000006, 0.427794339999997 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.143724169999994, 0.427794339999997, 0.856275830000006 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.856275830000006, 0.572205660000003, 0.856275830000006 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.143724169999994, 0.572205660000003, 0.143724169999994 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.143724169999994, 0.143724169999994, 0.572205660000003 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.856275830000006, 0.143724169999994, 0.427794339999997 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.356275830000006, 0.927794339999997, 0.643724169999994 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.572205660000003, 0.856275830000006, 0.856275830000006 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.072205660000003, 0.643724169999994, 0.643724169999994 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.427794339999997, 0.856275830000006, 0.143724169999994 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.927794339999997, 0.643724169999994, 0.356275830000006 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.856275830000006, 0.856275830000006, 0.572205660000003 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.643724169999994, 0.356275830000006, 0.927794339999997 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.643724169999994, 0.927794339999997, 0.356275830000006 ] mass: 15.999400 reduced_to: 18 - symbol: O # 31 coordinates: [ 0.356275830000006, 0.072205660000003, 0.356275830000006 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.643724169999994, 0.072205660000003, 0.643724169999994 ] mass: 15.999400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.643724169999994, 0.643724169999994, 0.072205660000003 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.356275830000006, 0.643724169999994, 0.927794339999997 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.856275830000006, 0.427794339999997, 0.143724169999994 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.072205660000003, 0.356275830000006, 0.356275830000006 ] mass: 15.999400 reduced_to: 24 - symbol: Zn # 37 coordinates: [ 0.323118070000006, 0.676881929999994, 0.676881929999994 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 38 coordinates: [ 0.676881929999994, 0.323118070000006, 0.676881929999994 ] mass: 65.380000 reduced_to: 38 - symbol: Zn # 39 coordinates: [ 0.176881929999994, 0.176881929999994, 0.823118070000006 ] mass: 65.380000 reduced_to: 39 - symbol: Zn # 40 coordinates: [ 0.323118070000006, 0.323118070000006, 0.323118070000006 ] mass: 65.380000 reduced_to: 40 - symbol: Zn # 41 coordinates: [ 0.823118070000006, 0.176881929999994, 0.176881929999994 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 42 coordinates: [ 0.176881929999994, 0.823118070000006, 0.176881929999994 ] mass: 65.380000 reduced_to: 38 - symbol: Zn # 43 coordinates: [ 0.676881929999994, 0.676881929999994, 0.323118070000006 ] mass: 65.380000 reduced_to: 39 - symbol: Zn # 44 coordinates: [ 0.823118070000006, 0.823118070000006, 0.823118070000006 ] mass: 65.380000 reduced_to: 40 - symbol: Se # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 45nac: born_effective_charge: - # 1 (B) - [ 2.561545560434781, -0.158089460000000, -0.000000000000000 ] - [ 0.158089460000000, 2.561545560434781, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 2.552314580434782 ] - # 2 (B) - [ 2.561545560434781, 0.000000000000000, 0.158089460000000 ] - [ -0.000000000000000, 2.552314580434782, 0.000000000000000 ] - [ -0.158089460000000, 0.000000000000000, 2.561545560434781 ] - # 3 (B) - [ 2.561545560434781, 0.000000000000000, -0.158089460000000 ] - [ -0.000000000000000, 2.552314580434782, 0.000000000000000 ] - [ 0.158089460000000, 0.000000000000000, 2.561545560434781 ] - # 4 (B) - [ 2.552314580434782, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.561545560434781, -0.158089460000000 ] - [ -0.000000000000000, 0.158089460000000, 2.561545560434781 ] - # 5 (B) - [ 2.552314580434782, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.561545560434781, 0.158089460000000 ] - [ -0.000000000000000, -0.158089460000000, 2.561545560434781 ] - # 6 (B) - [ 2.561545560434781, 0.158089460000000, -0.000000000000000 ] - [ -0.158089460000000, 2.561545560434781, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 2.552314580434782 ] - # 7 (O) - [ -1.883105189565218, -0.041823980000000, -0.041823980000000 ] - [ 0.028602860000000, -1.891500329565218, 0.695413910000000 ] - [ 0.028602860000000, 0.695413910000000, -1.891500329565218 ] - # 8 (O) - [ -1.883105189565218, -0.041823980000000, 0.041823980000000 ] - [ 0.028602860000000, -1.891500329565218, -0.695413910000000 ] - [ -0.028602860000000, -0.695413910000000, -1.891500329565218 ] - # 9 (O) - [ -1.883105189565218, 0.041823980000000, -0.041823980000000 ] - [ -0.028602860000000, -1.891500329565218, -0.695413910000000 ] - [ 0.028602860000000, -0.695413910000000, -1.891500329565218 ] - # 10 (O) - [ -1.891500329565218, 0.695413910000000, -0.028602860000000 ] - [ 0.695413910000000, -1.891500329565218, -0.028602860000000 ] - [ 0.041823980000000, 0.041823980000000, -1.883105189565217 ] - # 11 (O) - [ -1.891500329565218, -0.695413910000000, -0.028602860000000 ] - [ -0.695413910000000, -1.891500329565218, 0.028602860000000 ] - [ 0.041823980000000, -0.041823980000000, -1.883105189565217 ] - # 12 (O) - [ -1.891500329565218, -0.028602860000000, -0.695413910000000 ] - [ 0.041823980000000, -1.883105189565217, -0.041823980000000 ] - [ -0.695413910000000, 0.028602860000000, -1.891500329565218 ] - # 13 (O) - [ -1.891500329565218, -0.028602860000000, 0.695413910000000 ] - [ 0.041823980000000, -1.883105189565217, 0.041823980000000 ] - [ 0.695413910000000, -0.028602860000000, -1.891500329565218 ] - # 14 (O) - [ -1.891500329565218, 0.028602860000000, 0.695413910000000 ] - [ -0.041823980000000, -1.883105189565217, -0.041823980000000 ] - [ 0.695413910000000, 0.028602860000000, -1.891500329565218 ] - # 15 (O) - [ -1.891500329565218, 0.695413910000000, 0.028602860000000 ] - [ 0.695413910000000, -1.891500329565218, 0.028602860000000 ] - [ -0.041823980000000, -0.041823980000000, -1.883105189565217 ] - # 16 (O) - [ -1.891500329565218, -0.695413910000000, 0.028602860000000 ] - [ -0.695413910000000, -1.891500329565218, -0.028602860000000 ] - [ -0.041823980000000, 0.041823980000000, -1.883105189565217 ] - # 17 (O) - [ -1.891500329565218, 0.028602860000000, -0.695413910000000 ] - [ -0.041823980000000, -1.883105189565217, 0.041823980000000 ] - [ -0.695413910000000, -0.028602860000000, -1.891500329565218 ] - # 18 (O) - [ -1.883105189565218, 0.041823980000000, 0.041823980000000 ] - [ -0.028602860000000, -1.891500329565218, 0.695413910000000 ] - [ -0.028602860000000, 0.695413910000000, -1.891500329565218 ] - # 19 (Zn) - [ 2.074058250434784, -0.105597270000000, -0.105597270000000 ] - [ -0.105597270000000, 2.074058250434784, 0.105597270000000 ] - [ -0.105597270000000, 0.105597270000000, 2.074058250434784 ] - # 20 (Zn) - [ 2.074058250434784, -0.105597270000000, 0.105597270000000 ] - [ -0.105597270000000, 2.074058250434784, -0.105597270000000 ] - [ 0.105597270000000, -0.105597270000000, 2.074058250434784 ] - # 21 (Zn) - [ 2.074058250434784, 0.105597270000000, -0.105597270000000 ] - [ 0.105597270000000, 2.074058250434784, -0.105597270000000 ] - [ -0.105597270000000, -0.105597270000000, 2.074058250434784 ] - # 22 (Zn) - [ 2.074058250434784, 0.105597270000000, 0.105597270000000 ] - [ 0.105597270000000, 2.074058250434784, 0.105597270000000 ] - [ 0.105597270000000, 0.105597270000000, 2.074058250434784 ] - # 23 (Se) - [ -0.982621009565219, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -0.982621009565219, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -0.982621009565219 ] dielectric_constant: - [ 3.542145710000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.542145710000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.542145710000000 ] unit_conversion_factor: 14.399652dataset: displacements: - # 1 - [ 0.0110611477074607, -0.0074667741218434, 0.0268681650956500 ] - [ -0.0045528601776617, -0.0289800246904564, 0.0062793019630529 ] - [ 0.0209467151492772, -0.0192330066432573, 0.0095564941226092 ] - [ -0.0095270093041312, -0.0153640242744996, 0.0239412374745247 ] - [ -0.0128837472528071, -0.0269990878361523, -0.0022490693056276 ] - [ -0.0246858589477056, -0.0088594632382641, -0.0145642809346644 ] - [ -0.0280870786097779, 0.0088661068153560, -0.0057015932077669 ] - [ 0.0065707403060651, -0.0281307834113335, 0.0080922429829370 ] - [ -0.0256355510534445, 0.0079968292530770, -0.0133742006895130 ] - [ 0.0105294810115176, 0.0124822160142721, 0.0251659355677698 ] - [ 0.0210548894935365, -0.0197006240873946, -0.0082811254659094 ] - [ 0.0057573271661476, 0.0279027953946692, -0.0093961264926120 ] - [ 0.0112174598143742, 0.0141471651540042, 0.0239588462455568 ] - 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[ -0.4197998100000000, 0.5306028399999999, -0.0995651900000000 ] - [ -0.5170016900000000, 0.5847397400000001, 0.4193596800000000 ] - [ 0.1758245800000000, 0.4134295700000000, -0.6642926500000000 ] - [ -0.4733955500000000, 0.1919617400000000, -0.4657210300000000 ] - [ 0.4734734900000000, 0.5621837900000000, -0.0156573100000000 ] - [ -0.4447352000000000, -0.3277120800000000, -0.5660919000000000 ] - [ 0.6411235600000000, 0.5879687200000000, -0.5980275800000000 ] - [ 0.3673637700000000, 0.2354590300000000, 0.0896348400000000 ] - [ 0.4110384100000000, -0.0411622400000000, -0.2266708300000000 ] - [ -0.3592463300000000, 0.0586931500000000, -0.1844769100000000 ] - [ -0.0278349700000000, -0.5064546099999999, -0.3554282700000000 ] - [ 0.0331071500000000, 0.0374236200000000, 0.1036456000000000 ] - [ -0.0220714400000000, 0.2210449900000000, 0.3984522400000000 ] - [ 0.1055794400000000, 0.1756102300000000, 0.5410891900000000 ] - [ -0.2146308500000000, 0.2314111700000000, 0.0396483700000000 ] - [ -0.0135100100000000, 0.0211423700000000, -0.1790885000000000 ] - 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[ 0.4874525000000000, -0.1289966800000000, 0.1914624100000000 ] - [ -0.2402088600000000, -0.5398137199999999, 0.6362700300000000 ] - [ -0.6380584200000000, -0.3057475500000000, -0.4340815000000000 ] - [ -0.1329906900000000, -0.5192374900000000, -0.0892161600000000 ] - [ 1.0878549399999999, -0.0860618800000000, -1.1444577499999999 ] - [ 0.8838677100000000, 0.2308380700000000, -0.7165686900000000 ] - [ 0.7429486900000001, -0.6654457500000001, -0.1440900100000000 ] - [ 0.6530765399999999, 0.6622430699999999, -0.7894654000000000 ] - [ 0.4206396900000000, 0.6345495100000000, -0.0339043800000000 ] - [ 0.6044466599999999, 0.2605496000000000, -0.6453913800000000 ] - [ -0.4918873900000000, -0.1197392100000000, 0.5138716300000000 ] - [ 0.5399697900000000, 0.4475714900000000, 0.5496303600000000 ] - [ 0.4718957700000000, 0.2377977900000000, -0.0081061200000000 ] - [ 0.7484588300000000, -0.8831381900000000, 0.2063358100000000 ] - [ 0.5331007300000000, 0.2144092800000000, -0.2297272200000000 ] - [ -0.7244862599999999, 0.5856285299999999, -0.0876942500000000 ] - [ -0.0908665000000000, -0.4850613300000000, 0.4262609900000000 ] - [ -1.2826892800000000, -0.4491301700000000, 0.7498170999999999 ] - [ 0.4133866000000000, -0.4820116000000000, 0.2306203900000000 ] - [ -0.2725842200000000, 0.0972285000000000, 0.1933885700000000 ] - [ -0.5533723500000000, 0.1777242800000000, -0.5069537900000001 ] - [ 0.5721635500000001, 0.0702445600000000, -0.7043739700000000 ] - [ 0.2816732700000000, -0.1219821300000000, -0.2621257700000000 ] - [ -0.0456111500000000, 0.3874789700000000, -0.1168551700000000 ] - [ -0.3797289400000000, 0.2890693700000000, 0.1162236200000000 ] - [ -0.1506984700000000, 0.2453809000000000, -0.5159888200000000 ] - [ 0.2345379500000000, -0.0835662600000000, 0.5387212900000000 ] - [ -0.2539694800000000, 0.1398850600000000, -0.1694001600000000 ] - [ -0.2083688100000000, -0.2333788100000000, 0.2810540800000000 ] - [ -0.3685829000000000, 0.4587547700000000, -0.0859713300000000 ] - [ 0.2712765800000000, -0.0907801000000000, 0.1687186700000000 ] - [ 0.4674583000000000, 0.2515732100000000, 0.1693954400000000 ] - # 12 - [ 0.6085848200000000, 0.5541158900000001, 0.1750038500000000 ] - [ -0.6820054200000000, -1.0110365099999998, 0.2444204000000000 ] - [ 0.9245260400000000, -0.2232960500000000, -0.3870408400000000 ] - [ 0.1215521500000000, 0.9966140800000000, -0.1444092700000000 ] - [ 0.1584923700000000, -0.1384743500000000, -0.4592397100000000 ] - [ -0.0314544800000000, 0.5683101300000000, 0.7320166400000000 ] - [ 0.1895557900000000, 0.8125244100000000, -0.9824672600000000 ] - [ -0.7711217400000000, 0.2564166700000000, -0.7124414500000000 ] - [ 0.3733281200000000, 0.0400426700000000, 0.4706227700000000 ] - [ 0.7613582000000000, 0.2869196300000000, -0.3922532000000000 ] - [ -0.4437713500000000, 1.0653500800000000, -0.2477365800000000 ] - [ -0.1724094200000000, -0.7792543100000000, -0.7379768000000000 ] - [ -0.2109290400000000, 0.2096370900000000, 0.0418914900000000 ] - [ -0.0158645100000000, -0.1402130500000000, -0.3691290900000000 ] - [ 0.4513568500000000, 0.3410498100000000, 0.5746780200000000 ] - 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# 13 - [ 0.7340129600000000, -0.7536441600000000, 0.1739803800000000 ] - [ 1.4028153699999999, 0.2471676500000000, -0.4511974800000000 ] - [ -0.5181698000000000, 0.9892774200000001, -0.2051435200000000 ] - [ 0.0979862600000000, 0.9690331100000000, -0.2507229900000000 ] - [ -0.1069572400000000, 0.7931382100000000, -0.4930256200000000 ] - [ -0.5971338000000000, 1.1611938500000001, -0.4259815200000000 ] - [ 0.2609121100000000, -0.9990560700000000, 0.2329955500000000 ] - [ 0.7137881400000000, 0.0810232000000000, -0.2746476900000000 ] - [ -0.0126280100000000, -0.2587925300000000, 0.6057195799999999 ] - [ -0.7105225500000000, 0.5526937500000000, -0.5481518299999999 ] - [ -0.0094051700000000, -0.4134408100000000, -1.0751025200000000 ] - [ -0.2536644900000000, -0.6405030399999999, -1.1409951400000000 ] - [ -0.1003572300000000, -0.1425384100000000, 0.2698775700000000 ] - [ -0.0767884900000000, -0.4574766500000000, -0.1290092200000000 ] - [ 0.6025105600000000, -0.1869363900000000, -0.0946466600000000 ] - 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# 83 - [ 0.5920811700000000, -0.1314766700000000, 0.3969817300000000 ] - [ 0.2617689600000000, -0.3600659400000000, -0.6480168300000000 ] - [ -0.2076187100000000, 0.7113106800000000, 1.1957834800000000 ] - [ -0.2715417899999999, -0.5662083400000000, 0.0291118600000000 ] - [ -0.6229601100000001, -0.4175792300000000, -0.1771881500000000 ] - [ 0.4687605500000000, -0.5989784500000001, 0.1518379400000000 ] - [ -0.4818683300000000, 0.6553627900000000, -0.6763538400000000 ] - [ 0.4715765200000000, -0.6540173100000000, 0.1364299900000000 ] - [ 0.3486920100000000, 0.7854880700000000, 0.6599302600000000 ] - [ -1.0489569500000000, 0.6742935000000000, -0.2557331000000000 ] - [ 0.1154058100000000, -0.5374682200000001, 0.7852655600000000 ] - [ -0.7173941800000000, -0.4028702800000000, -0.3859588500000000 ] - [ 0.3596875300000000, 0.2756115700000000, -0.1191991900000000 ] - [ -0.5649145800000001, -0.4377363100000000, -0.4525552600000000 ] - [ -0.7271581899999999, 0.2271472400000000, 0.4836808200000000 ] - [ -0.2801242800000000, 0.4651347100000000, 0.5297979400000000 ] - [ 0.1573631900000000, 0.7941551099999999, -0.2532513600000000 ] - [ 0.2835579700000000, 0.8572366000000000, 0.1662851400000000 ] - [ 0.3971953300000000, 0.1495973900000000, -0.6356188700000001 ] - [ 0.2243806400000000, -0.5539879999999999, 0.2283940700000000 ] - [ 0.2748426300000000, -0.4955851000000000, 0.3402934300000000 ] - [ 0.1640404000000000, 0.1777779800000000, -0.3345742800000000 ] - [ 0.2293859400000000, 0.0746835900000000, 0.2199517900000000 ] - [ -0.0363864800000000, 0.6752961900000001, -0.6470280400000000 ] - [ -0.7748803600000000, 0.0237102700000000, 0.0054679500000000 ] - [ 0.3828897000000000, 0.5128897100000001, 0.2019120600000000 ] - [ 0.5743291200000000, -0.2104057900000000, 0.4631767200000000 ] - [ -0.1165076700000000, 0.6152411799999999, -0.1196454700000000 ] - [ 0.4123306000000000, 0.2190604200000000, -0.2130824300000000 ] - [ -0.3735485100000000, 0.8211857400000000, 0.0694805000000000 ] - [ 0.0195913700000000, -0.0033630100000000, -0.0990354000000000 ] - [ 0.3771446000000000, -0.7147363700000000, -0.8261411700000001 ] - [ 0.4728699800000000, -0.8040241299999999, -0.3043115800000000 ] - [ -0.9673230000000000, -1.1023264600000000, -0.2826210700000000 ] - [ 0.9574586900000001, -0.8154489399999999, 1.1950468100000000 ] - [ -0.6169499300000000, 0.4876962200000000, -0.8349031900000000 ] - [ -0.0636339600000000, -0.1569462200000000, 0.0052028900000000 ] - [ 0.2311917700000000, 0.4121914400000000, 0.3729614800000000 ] - [ 0.1137045300000000, 0.1130380900000000, -0.1810009400000000 ] - [ 0.5682513200000000, -0.0748602100000000, -0.1065618100000000 ] - [ -0.0671338600000000, -0.0423705500000000, -0.2760845300000000 ] - [ -0.1947834100000000, 0.1332096000000000, -0.0492846500000000 ] - [ -0.1877931100000000, -0.5320243499999999, -0.0092801600000000 ] - [ -0.0176913600000000, 0.1072431100000000, 0.4711373800000000 ] - [ -0.1621055200000000, -0.2152108800000000, -0.0895565400000000 ] - [ 0.0427739900000000, -0.1408704200000000, -0.1311430800000000 ] - # 84 - [ 0.0825251200000000, -1.0194055600000000, -0.3688262200000000 ] - [ 0.6950393000000000, -0.1383020900000000, 1.0844228200000001 ] - [ -0.5815926200000000, 0.2641125900000000, 1.3553956700000001 ] - [ 0.1360660700000000, -0.5652190000000000, -0.4588324700000000 ] - [ -1.1092324899999999, -0.1405645300000000, -0.1262473200000000 ] - [ 0.3790549400000000, -0.7800384600000000, -0.1961491300000000 ] - [ -0.3630025500000000, 0.5853732300000001, -0.5408412100000000 ] - [ 0.3367107500000000, 0.9680937900000001, 0.3547779800000000 ] - [ 0.7443454400000000, 0.7320951000000000, 0.2641581300000000 ] - [ -0.6198082300000000, 0.0619074700000000, 0.6662639100000001 ] - [ 0.0542218000000000, -0.0259836000000000, -0.9769711800000001 ] - [ -0.1010617300000000, 0.1036711600000000, -1.0248189400000001 ] - [ -0.3876522900000000, 0.7830720300000000, -0.7889495900000000 ] - [ -0.3594747800000000, -0.2698844200000000, -0.6320083400000001 ] - [ -0.3550026500000000, 1.1132371599999999, 0.7682243900000000 ] - [ 0.4299464900000000, -0.9424706100000000, 0.0688652800000000 ] - [ -0.2416104200000000, -0.1260729500000000, 1.0371942599999999 ] - [ 0.6769248900000000, -0.1671487500000000, 0.8553286299999999 ] - [ -0.2429497900000000, -0.2312289800000000, 0.5656589700000000 ] - [ -0.1419181800000000, -0.7571839299999999, 0.1132219700000000 ] - [ 0.6080682900000001, -0.5822915600000000, -0.3335581000000000 ] - [ 0.0186619500000000, -0.1172835600000000, -0.4737500900000000 ] - [ -0.3812116600000000, -0.0960749200000000, -0.1585151600000000 ] - [ -0.5114104200000000, 0.0982654100000000, 0.0206595800000000 ] - [ 0.2484565900000000, 1.2235003900000001, -0.8421112900000000 ] - [ -0.3351024500000001, -0.3589690700000000, -0.0087606800000000 ] - [ -0.3132120300000000, -0.8947756400000000, -0.5262698100000001 ] - [ 0.5297196300000000, -0.5954108300000001, 0.5933101400000000 ] - [ -0.5064321800000000, -0.5412264100000000, -0.7103924500000000 ] - [ 0.7007527100000001, 0.1544734000000000, 1.1204471600000001 ] - [ -0.5411440400000000, 0.4604944300000000, 0.8008735100000000 ] - [ -0.3263061300000000, -0.6111121700000000, 0.2081252000000000 ] - [ 0.3880527400000000, -0.1204547000000000, -0.3942750900000000 ] - [ -0.0665765700000000, 0.3186678900000000, -0.9776548400000000 ] - [ 0.8950082400000000, 0.8801721100000001, 0.1933405500000000 ] - [ -0.2633843600000000, 0.1253105200000000, -0.3193513000000000 ] - [ -0.1930706900000000, 0.0723122000000000, 0.0451496800000000 ] - [ 0.4873514700000000, 0.5275747900000000, 0.1290984600000000 ] - [ 0.0189324500000000, 0.1878583000000000, 0.0555034400000000 ] - [ 0.3979903900000000, -0.0226866500000000, -0.3168796200000000 ] - [ -0.3288449300000000, -0.5234822299999999, 0.0073289600000000 ] - [ 0.3273493600000000, 0.3815306200000000, -0.1322715700000000 ] - [ -0.0602741700000000, -0.0011727000000000, 0.2665567400000000 ] - [ -0.0739278500000000, 0.1220849300000000, -0.4470916500000000 ] - [ 0.2879302300000000, 0.2039127800000000, 0.2558793000000000 ] - [ -0.0389056400000000, 0.2607230500000000, -0.0752587000000000 ] - # 85 - [ 0.5494430600000001, -0.1834862600000000, -0.1972651800000000 ] - [ -0.5355908400000000, -0.6023003400000001, -0.4706339200000000 ] - [ 0.2279315400000000, -0.2835929599999999, -0.7766202700000000 ] - [ 0.0807884000000000, 0.5613100700000000, 0.7400016600000000 ] - [ 0.1573904900000000, 0.1430530000000000, 0.5877271600000000 ] - [ 0.5110562700000000, 0.9654212500000000, -0.5672961099999999 ] - [ -0.2481260700000000, -0.4522596700000000, 0.7097764600000001 ] - [ 0.1405537000000000, 0.1554463800000000, 1.0526624600000001 ] - [ -0.1978629000000000, 1.1717082100000000, 0.4084742400000000 ] - [ -0.1247367400000000, 0.0368236700000000, 1.1853385999999999 ] - [ -0.3503611900000000, 0.3227368700000000, 0.9427040799999999 ] - [ -1.1323457099999998, 0.1104124700000000, 0.2898069000000000 ] - [ 0.4688957500000000, -0.1073226500000000, 0.5017974900000000 ] - [ -0.7409103700000000, -0.0402442000000000, 0.0473818300000000 ] - [ -0.7395726400000000, 0.7044689400000000, 0.3547801900000000 ] - [ 0.1231433000000000, 0.2187293500000000, 0.1651575100000000 ] - [ 0.0630537200000000, -0.1060630800000000, -0.4041145200000000 ] - [ 0.2505052900000000, -0.3018412500000000, 0.2840730700000000 ] - [ 0.2938705900000000, 0.6155002300000000, -0.3960935900000000 ] - [ 0.0809790800000000, -0.6947080900000000, -0.3492001600000000 ] - [ 0.2252835000000000, -0.6192206200000000, 0.4624591200000000 ] - [ 0.2708899500000000, 0.4112074900000000, -0.5192988200000000 ] - [ -0.3686100200000000, -0.5052134700000001, 0.1578534600000000 ] - [ 0.0056132800000000, -0.6724570900000000, 0.3826731900000000 ] - [ -0.6754304300000000, 0.0326191300000000, -0.0390012900000000 ] - [ -0.4789161500000000, -0.2773303600000000, -0.4444483100000000 ] - [ 0.0043716100000000, -0.6419766500000000, -0.4113420000000000 ] - [ 0.5070806600000001, -0.6006857500000000, -0.0121957700000000 ] - [ -0.1920047200000000, 0.0963782000000000, 0.0019564200000000 ] - [ 0.2458837500000000, 0.7354909599999999, 0.2610393600000000 ] - [ 0.8993583100000000, 0.3227064300000000, -1.1174218700000000 ] - [ 0.1904939800000000, 0.2204625600000000, -0.7259117800000000 ] - [ 0.9097117400000000, -0.8686373999999999, 0.2524286600000000 ] - [ -0.6188527300000000, -0.5369348600000000, -0.6203529700000000 ] - [ -0.3174392400000000, 0.6929616700000001, -0.6565773600000000 ] - [ -0.3145064400000000, 0.8958887700000000, -0.4101760700000000 ] - [ -0.3718736100000000, 0.4881397900000000, 0.2359484000000000 ] - [ 0.0481542600000000, -0.4477452400000000, -0.3242506500000000 ] - [ 0.4070943100000000, -0.1677906200000000, -0.2735247300000000 ] - [ -0.1097535900000000, -0.4223575800000000, -0.0460624900000000 ] - [ 0.2702529700000000, -0.1738292600000000, 0.2890776400000000 ] - [ 0.4810137000000000, 0.5486912500000000, 0.0502327200000000 ] - [ -0.1560563500000000, -0.4726469900000000, -0.2996547900000000 ] - [ 0.0456014200000000, -0.0755304700000000, -0.2348287900000000 ] - [ -0.1668183600000000, -0.0528885500000000, 0.2605049200000000 ] - [ 0.3813534500000000, -0.1430932400000000, -0.3275840800000000 ] - # 86 - [ -0.2950734100000000, -0.3335552300000000, -0.6125561300000000 ] - [ -0.6557795599999999, 0.3166740200000000, 0.8417007599999999 ] - [ -0.0458631000000000, -0.6582024100000000, -0.3761933900000000 ] - [ 0.9155875100000000, 0.3007754900000000, -0.3156865800000000 ] - [ 0.0606270500000000, 0.2594955500000000, 1.0277186300000001 ] - [ -0.0340355800000000, 0.9900058500000000, 1.0920590999999999 ] - [ 0.1935100900000000, 1.2395813299999998, -0.0044637500000000 ] - [ 0.8365792200000000, -0.4527015700000000, 0.4794132000000000 ] - [ 1.0965918200000000, 0.2769183200000000, 0.5657193699999999 ] - [ -0.3045245300000000, 0.1674959800000000, -0.5026199099999999 ] - [ 0.1619191900000000, 0.2194071000000000, 0.7648315999999999 ] - [ -1.0200539899999999, 1.0826627000000000, -0.7066627200000000 ] - [ 0.6781091200000000, -0.9004756400000000, 0.6695059000000000 ] - [ 0.1726470700000000, -0.9350793599999999, -0.8264433100000000 ] - [ 0.3702193600000001, -0.7653301900000000, -0.5406151800000000 ] - [ -0.6651271599999999, 0.9080303500000000, -0.7359512300000000 ] - [ -0.9331487199999999, -0.4948892400000000, 0.5342763600000000 ] - [ 0.2261979100000000, -0.5386101700000000, -0.4197655700000000 ] - [ -0.3115805600000000, -0.7177995600000000, 0.5096445399999999 ] - [ 0.6196955300000000, -0.1141058400000000, -0.3423292700000000 ] - [ -0.6735110900000000, 0.7911664600000000, -0.2752021700000000 ] - [ 0.3975219100000000, 0.6190039800000000, -0.6471457200000000 ] - [ 0.1212837000000000, 0.0027041400000000, -0.0282053900000000 ] - [ -0.5786904500000001, 0.6803679600000000, -0.0704950400000000 ] - [ 0.3708671100000000, 0.8330067700000000, -0.8406736400000000 ] - [ -0.7389485200000000, 0.0197806700000000, 0.0600554300000000 ] - [ -0.5334147400000000, -0.1990771900000000, -0.1018357200000000 ] - [ 0.0480599700000000, 0.0610546700000000, -0.8805703300000000 ] - [ 0.8664942700000000, 0.6747634299999999, -0.4453671300000000 ] - [ 0.9779485600000001, -0.4736396100000000, 0.5683332700000000 ] - [ 0.1144111300000000, -0.3328193000000000, 0.3770520900000000 ] - [ -0.3823340900000000, 0.5481727000000000, 0.5917051999999999 ] - [ 0.1794665800000000, -0.1179045000000000, -0.0991511900000000 ] - [ -1.0310445300000000, -1.1169400000000000, -0.3237373100000000 ] - [ -0.2110657000000000, -0.4473697100000000, -0.2345422400000000 ] - [ -0.3626807800000000, -0.7971052199999999, 0.9468557200000000 ] - [ -0.2818841800000000, 0.1280807200000000, -0.1076718900000000 ] - [ -0.2108792200000000, -0.3293515200000000, -0.0796006100000000 ] - [ 0.0687480000000000, 0.1979843400000000, 0.2344571300000000 ] - [ -0.0551546800000000, -0.3733271500000000, -0.1388923000000000 ] - [ -0.0703559800000000, -0.1256221600000000, 0.2749962300000000 ] - [ 0.3506095200000000, -0.3163486500000000, -0.0596732600000000 ] - [ 0.2361657800000000, -0.0912690200000000, -0.2728162000000000 ] - [ 0.2530836700000000, -0.2289979400000000, -0.0367170400000000 ] - [ -0.0315773100000000, 0.3653376200000000, 0.1509656000000000 ] - [ 0.1103838100000000, 0.1780510500000000, 0.3362940500000000 ] - # 87 - [ -0.1103495500000000, 0.7885094200000000, -0.7372444200000000 ] - [ -0.0314390600000000, 0.0753431500000000, 0.2790760300000000 ] - [ -0.4910849300000000, 0.0701417000000000, -0.7992028300000000 ] - [ -0.6798282099999999, 0.0840802600000000, 0.2421011700000000 ] - [ -0.6331087600000000, -0.4661465700000000, -0.0575313300000000 ] - [ 0.5797520399999999, 0.0814551600000000, -0.3119554200000000 ] - [ 0.3377258400000000, -0.8140022200000000, -0.1566001300000000 ] - [ 0.5804446000000000, -0.9527769800000000, 0.0492327400000000 ] - [ 1.0285788000000000, -0.4429390000000000, -0.1705566900000000 ] - [ -0.4876611000000000, 0.4579587600000000, -0.7215726600000000 ] - [ -0.0127552000000000, 0.7193365799999999, 0.4791169100000000 ] - [ 0.4070435800000000, -0.9742417799999999, -0.3054134400000000 ] - [ 0.1960230300000000, 0.8031286500000000, -0.6371953000000000 ] - [ 0.3722012300000000, -0.1570774900000000, 0.0037038500000000 ] - [ 0.2525594000000000, 0.5750728500000001, 0.4024095300000000 ] - [ -0.0914457600000000, 0.1964624400000000, 0.3436586100000000 ] - [ 0.5514231000000001, 0.7402578000000000, 0.4842514600000000 ] - [ 0.0649554200000000, 0.1820449900000000, 0.2378011400000000 ] - [ 0.1612236300000000, 0.4376576700000000, -0.3857743600000000 ] - [ 0.5263375500000000, 0.5885835500000001, -0.1082612000000000 ] - [ 0.5470818400000000, -0.1191103300000000, 0.4870623300000000 ] - [ -0.3045479700000000, -0.1052941300000000, -0.5900668200000000 ] - [ -0.1608314700000000, -0.3886048500000000, -0.4931570200000000 ] - [ 0.8994393100000000, -0.4793952600000000, 0.2407431000000000 ] - [ -0.8175355800000000, -0.0878435300000000, 0.2282327300000000 ] - [ -0.7503838500000001, 0.8576851900000000, 0.9336402000000000 ] - [ -0.1616855400000000, 0.1432948700000000, -0.2352896900000000 ] - [ -0.6977833600000000, 0.6460397300000000, -0.2941621000000000 ] - [ -0.4894837200000000, -1.0265035999999998, -0.2708903300000000 ] - [ 0.4685548100000000, -0.2193538200000000, 0.6100687899999999 ] - [ -0.2961777000000000, -0.0287559200000000, -0.1394109500000000 ] - [ -0.1621890400000000, -0.8565400900000000, 0.1367376600000000 ] - [ -0.3693825000000000, 0.7358579700000001, -0.0745420700000000 ] - [ -0.6975089700000000, -0.4560426500000000, 0.0428867200000000 ] - [ 0.5670502300000000, -0.3288613300000000, 1.1646999900000001 ] - [ 0.4597869300000000, 0.0730428600000000, 0.0014034900000000 ] - [ 0.1707310100000000, 0.2409390400000000, -0.0045980100000000 ] - [ -0.1678070400000000, -0.2822846400000000, 0.1053534400000000 ] - [ 0.1897407700000000, 0.2190695400000000, -0.0242397100000000 ] - [ -0.4861267500000000, 0.0148244400000000, -0.1821428800000000 ] - [ 0.1262586800000000, -0.0841860700000000, 0.4704215700000000 ] - [ 0.0279288300000000, -0.2380550600000000, -0.5712185200000000 ] - [ -0.4538568300000000, -0.0126538200000000, 0.1348441800000000 ] - [ -0.3085587300000000, -0.3627657100000000, 0.1328534700000000 ] - [ 0.1112503200000000, -0.0976799600000000, 0.3999486900000000 ] - [ 0.2354406500000000, 0.2503282000000000, -0.3392219100000000 ] - # 88 - [ -0.6370113900000000, 0.1727565500000000, -0.1802328100000000 ] - [ -0.6752372900000000, -0.2175693600000000, 0.3295319300000000 ] - [ -0.4682691200000000, 0.3454255800000000, 1.6467646999999999 ] - [ 0.3303073700000000, -0.9123609700000000, 0.2783381400000000 ] - [ -0.5059084400000000, 0.0568728500000000, 0.7581409800000001 ] - [ -0.6443462900000001, -0.7586254600000000, 0.4485533500000000 ] - [ -0.5639839700000000, 0.8832527900000000, 0.3646527100000000 ] - [ -0.4567641300000000, 0.0324522800000000, 0.6544918900000000 ] - [ 0.0657183400000000, 0.4339567300000000, 1.4209084600000002 ] - [ 0.2200277500000000, -0.4525538500000000, -0.6917746699999999 ] - [ -0.3969332900000000, -1.3014690499999999, 0.2204852100000000 ] - [ 0.6702632599999999, -0.8931291699999999, 0.1042039000000000 ] - [ -0.0925804500000000, 0.7485292500000000, -0.2964701800000000 ] - [ 0.5628734999999999, -0.6475148700000000, -0.7447649600000000 ] - [ 1.0208532000000001, -0.1943747600000000, 0.0929968300000000 ] - [ 0.8269885300000001, -0.2206625100000000, 0.3695311200000000 ] - [ 0.2478146200000000, 0.1226583700000000, -0.2355920100000000 ] - [ -0.0725116400000000, -0.0381078300000000, -0.5959544200000001 ] - [ -0.5917218700000000, 0.5981718600000000, 1.0247135700000001 ] - [ 1.0128565800000000, 0.2368000800000000, -0.8188519100000000 ] - [ 0.3206170300000000, 0.1384042000000000, -0.3623346900000000 ] - [ -0.3033276100000000, 0.0625298800000000, -0.8532934000000000 ] - [ -0.5006033200000000, -0.0665491500000000, -0.3976623000000000 ] - [ 0.2523330200000000, 0.2926517700000000, -0.4154088400000000 ] - [ 0.5849890500000000, 0.8327644399999999, -0.8843930200000000 ] - [ -0.1500030100000000, -0.7836529500000000, -0.6988383400000000 ] - [ 0.5745614700000000, -0.7713491200000000, -0.2808324100000000 ] - [ -0.4678068800000000, 0.7158387800000000, 0.4657232700000000 ] - [ -0.1370564300000000, 0.2588470200000000, 1.0179150900000000 ] - [ 0.0493515200000000, 1.1540748000000001, 0.2465709700000000 ] - [ -0.5450314800000000, 0.7440766500000000, 0.6868638900000000 ] - [ 0.8733809800000000, -0.0991662400000000, -0.4880794000000000 ] - 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