# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2a94e05a-54c9-4b69-8545-479362d7854a/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for Nd2Ti2O7 / Fd-3m (227) / materials id 555785](https://mdr.nims.go.jp/datasets/2c38d9e2-85db-4e6e-a553-8974aba6d489) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Fd-3m" number: 227 Hall_symbol: "F 4d 2 3 -1d"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 0.000000000000000, 5.137137605000000, 5.137137605000000 ] # a - [ 5.137137605000000, 0.000000000000000, 5.137137605000000 ] # b - [ 5.137137605000000, 5.137137605000000, 0.000000000000000 ] # c points: - symbol: Nd # 1 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 144.242000 - symbol: Nd # 2 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 144.242000 - symbol: Nd # 3 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 144.242000 - symbol: Nd # 4 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 144.242000 - symbol: Ti # 5 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 47.867000 - symbol: Ti # 6 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 47.867000 - symbol: Ti # 7 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 47.867000 - symbol: Ti # 8 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 47.867000 - symbol: O # 9 coordinates: [ 0.799437700000000, 0.200562300000000, 0.200562300000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.200562300000000, 0.799437700000000, 0.799437700000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.799437700000000, 0.799437700000000, 0.200562300000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.450562300000000, 0.450562300000000, 0.049437700000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.049437700000000, 0.450562300000000, 0.450562300000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.200562300000000, 0.200562300000000, 0.799437700000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.450562300000000, 0.049437700000000, 0.049437700000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.799437700000000, 0.200562300000000, 0.799437700000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.049437700000000, 0.450562300000000, 0.049437700000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.049437700000000, 0.049437700000000, 0.450562300000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.450562300000000, 0.049437700000000, 0.450562300000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.200562300000000, 0.799437700000000, 0.200562300000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.097330466583832, 0.097330466583832, 0.097330466583832 ] # a* - [ 0.097330466583832, -0.097330466583832, 0.097330466583832 ] # b* - [ 0.097330466583832, 0.097330466583832, -0.097330466583832 ] # c*unit_cell: lattice: - [ 10.274275210000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.274275210000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.274275210000001 ] # c points: - symbol: Nd # 1 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 2 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 3 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 4 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 5 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 6 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 7 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 8 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 9 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 10 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 11 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 12 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 13 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 14 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 15 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 16 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 4 - symbol: Ti # 17 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 18 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 18 - symbol: Ti # 19 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 20 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 20 - symbol: Ti # 21 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 22 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 18 - symbol: Ti # 23 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 24 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 20 - symbol: Ti # 25 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 26 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 18 - symbol: Ti # 27 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 28 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 20 - symbol: Ti # 29 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 30 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 18 - symbol: Ti # 31 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 32 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.200562300000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.799437700000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.799437700000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.750000000000000, 0.250000000000000, 0.950562300000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.450562300000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.500000000000000, 0.200562300000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.049437700000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.799437700000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.750000000000000, 0.549437700000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.750000000000000, 0.250000000000000, 0.549437700000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.750000000000000, 0.950562300000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.200562300000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.200562300000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.799437700000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.000000000000000, 0.299437700000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 50 coordinates: [ 0.750000000000000, 0.750000000000000, 0.450562300000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 51 coordinates: [ 0.450562300000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.000000000000000, 0.700562300000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 53 coordinates: [ 0.049437700000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.299437700000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 55 coordinates: [ 0.750000000000000, 0.049437700000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 56 coordinates: [ 0.750000000000000, 0.750000000000000, 0.049437700000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 57 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 59 coordinates: [ 0.750000000000000, 0.450562300000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.700562300000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 61 coordinates: [ 0.700562300000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 62 coordinates: [ 0.299437700000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.299437700000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 64 coordinates: [ 0.250000000000000, 0.250000000000000, 0.450562300000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 65 coordinates: [ 0.950562300000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 66 coordinates: [ 0.000000000000000, 0.500000000000000, 0.700562300000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 67 coordinates: [ 0.549437700000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.799437700000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 69 coordinates: [ 0.250000000000000, 0.549437700000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 70 coordinates: [ 0.250000000000000, 0.250000000000000, 0.049437700000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 71 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 73 coordinates: [ 0.250000000000000, 0.950562300000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.200562300000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.700562300000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 76 coordinates: [ 0.299437700000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.799437700000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 78 coordinates: [ 0.250000000000000, 0.750000000000000, 0.950562300000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 79 coordinates: [ 0.950562300000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.000000000000000, 0.200562300000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 81 coordinates: [ 0.549437700000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 82 coordinates: [ 0.000000000000000, 0.299437700000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 83 coordinates: [ 0.250000000000000, 0.049437700000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 84 coordinates: [ 0.250000000000000, 0.750000000000000, 0.549437700000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 85 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 86 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 87 coordinates: [ 0.250000000000000, 0.450562300000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.700562300000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46supercell: lattice: - [ 10.274275210000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.274275210000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.274275210000001 ] # c points: - symbol: Nd # 1 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 2 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 3 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 4 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 5 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 6 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 7 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 8 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 9 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 10 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 11 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 12 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 13 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 14 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 15 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 16 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 4 - symbol: Ti # 17 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 18 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 18 - symbol: Ti # 19 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 20 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 20 - symbol: Ti # 21 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 22 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 18 - symbol: Ti # 23 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 24 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 20 - symbol: Ti # 25 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 26 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 18 - symbol: Ti # 27 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 28 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 20 - symbol: Ti # 29 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 30 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 18 - symbol: Ti # 31 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 32 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.200562300000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.799437700000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.799437700000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.750000000000000, 0.250000000000000, 0.950562300000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.450562300000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.500000000000000, 0.200562300000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.049437700000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.799437700000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.750000000000000, 0.549437700000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.750000000000000, 0.250000000000000, 0.549437700000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.750000000000000, 0.950562300000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.200562300000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.200562300000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.799437700000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.000000000000000, 0.299437700000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 50 coordinates: [ 0.750000000000000, 0.750000000000000, 0.450562300000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 51 coordinates: [ 0.450562300000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.000000000000000, 0.700562300000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 53 coordinates: [ 0.049437700000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.299437700000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 55 coordinates: [ 0.750000000000000, 0.049437700000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 56 coordinates: [ 0.750000000000000, 0.750000000000000, 0.049437700000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 57 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 59 coordinates: [ 0.750000000000000, 0.450562300000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.700562300000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 61 coordinates: [ 0.700562300000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 62 coordinates: [ 0.299437700000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.299437700000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 64 coordinates: [ 0.250000000000000, 0.250000000000000, 0.450562300000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 65 coordinates: [ 0.950562300000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 66 coordinates: [ 0.000000000000000, 0.500000000000000, 0.700562300000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 67 coordinates: [ 0.549437700000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.799437700000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 69 coordinates: [ 0.250000000000000, 0.549437700000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 70 coordinates: [ 0.250000000000000, 0.250000000000000, 0.049437700000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 71 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 73 coordinates: [ 0.250000000000000, 0.950562300000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.200562300000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.700562300000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 76 coordinates: [ 0.299437700000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.799437700000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 78 coordinates: [ 0.250000000000000, 0.750000000000000, 0.950562300000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 79 coordinates: [ 0.950562300000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.000000000000000, 0.200562300000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 81 coordinates: [ 0.549437700000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 82 coordinates: [ 0.000000000000000, 0.299437700000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 83 coordinates: [ 0.250000000000000, 0.049437700000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 84 coordinates: [ 0.250000000000000, 0.750000000000000, 0.549437700000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 85 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 86 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 87 coordinates: [ 0.250000000000000, 0.450562300000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.700562300000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1320649800000000, 0.0780300600000000, 0.0780300600000000 ] - [ 0.0168316500000000, -0.0212762000000000, 0.0044209400000000 ] - [ 0.0168949300000000, 0.0044087800000000, -0.0214747100000000 ] - [ -0.0161537900000000, -0.0044487100000000, -0.0044487100000000 ] - [ -0.0010861600000000, -0.0007523000000000, -0.0007523000000000 ] - [ -0.0004541500000000, 0.0017335200000000, -0.0002899300000000 ] - [ -0.0004645200000000, -0.0002905000000000, 0.0017378400000000 ] - [ -0.0161535900000000, -0.0043803900000000, -0.0043803900000000 ] - [ 0.0040054300000000, -0.0007525300000000, 0.0000912800000000 ] - [ -0.0004645200000000, 0.0017378400000000, -0.0002905000000000 ] - [ 0.0168316500000000, 0.0044209400000000, -0.0212762000000000 ] - [ 0.0046963000000000, 0.0002985300000000, 0.0002819100000000 ] - [ 0.0040054300000000, 0.0000912800000000, -0.0007525300000000 ] - [ 0.0168949300000000, -0.0214747100000000, 0.0044087800000000 ] - [ -0.0004541500000000, -0.0002899300000000, 0.0017335200000000 ] - [ 0.0046963000000000, 0.0002819100000000, 0.0002985300000000 ] - [ 0.0151117200000000, 0.0001825300000000, 0.0001825300000000 ] - [ 0.0070389300000000, -0.0004141000000000, -0.0004141000000000 ] - [ 0.0000056400000000, 0.0001647200000000, -0.0023419000000000 ] - [ 0.0129861300000000, 0.0182469300000000, -0.0025018600000000 ] - [ 0.0024514700000000, 0.0000992400000000, 0.0000992400000000 ] - [ 0.0070489700000000, -0.0004295200000000, -0.0004295200000000 ] - [ 0.0129863600000000, -0.0024891200000000, 0.0181114200000000 ] - [ -0.0000126200000000, -0.0023534300000000, 0.0001574400000000 ] - [ -0.0081272000000000, -0.0010863900000000, 0.0003435700000000 ] - [ -0.0219551200000000, -0.0022447600000000, -0.0021804700000000 ] - [ -0.0000126200000000, 0.0001574400000000, -0.0023534300000000 ] - [ 0.0000056400000000, -0.0023419000000000, 0.0001647200000000 ] - [ -0.0081272000000000, 0.0003435700000000, -0.0010863900000000 ] - [ -0.0219551200000000, -0.0021804700000000, -0.0022447600000000 ] - [ 0.0129861300000000, -0.0025018600000000, 0.0182469300000000 ] - [ 0.0129863600000000, 0.0181114200000000, -0.0024891200000000 ] - [ -0.0053302000000000, 0.0003775700000000, 0.0003775700000000 ] - [ 0.0024695000000000, -0.0032457800000000, -0.0032457800000000 ] - [ 0.0017357600000000, 0.0000060000000000, 0.0026986600000000 ] - [ 0.0017386200000000, 0.0000115700000000, 0.0026886200000000 ] - [ 0.0019928300000000, -0.0035068700000000, -0.0035068700000000 ] - [ 0.0100336600000000, 0.0054612000000000, -0.0085001100000000 ] - [ -0.0053336500000000, 0.0003921600000000, 0.0003921600000000 ] - [ 0.0017357600000000, 0.0026986600000000, 0.0000060000000000 ] - [ 0.0102659100000000, -0.0082809000000000, 0.0053499800000000 ] - [ 0.0102659100000000, 0.0053499800000000, -0.0082809000000000 ] - [ 0.0275620300000000, -0.0233991900000000, -0.0233991900000000 ] - [ 0.0270348800000000, -0.0225378300000000, -0.0225378300000000 ] - [ 0.0017386200000000, 0.0026886200000000, 0.0000115700000000 ] - [ 0.0100336600000000, -0.0085001100000000, 0.0054612000000000 ] - [ -0.0010054700000000, -0.0001887600000000, -0.0001887600000000 ] - [ 0.0003809600000000, 0.0003927100000000, 0.0003927100000000 ] - [ 0.0037404800000000, -0.0044105600000000, -0.0009620700000000 ] - [ 0.0037525700000000, -0.0044230400000000, -0.0009720200000000 ] - [ 0.0003695600000000, 0.0003916000000000, 0.0003916000000000 ] - [ 0.0020832700000000, 0.0005657500000000, 0.0003807400000000 ] - [ -0.0009913600000000, -0.0001883700000000, -0.0001883700000000 ] - [ 0.0037404800000000, -0.0009620700000000, -0.0044105600000000 ] - [ 0.0020912900000000, 0.0003831600000000, 0.0005788400000000 ] - [ 0.0020912900000000, 0.0005788400000000, 0.0003831600000000 ] - [ 0.0028195600000000, 0.0015566700000000, 0.0015566700000000 ] - [ 0.0028135700000000, 0.0015520200000000, 0.0015520200000000 ] - [ 0.0037525700000000, -0.0009720200000000, -0.0044230400000000 ] - [ 0.0020832700000000, 0.0003807400000000, 0.0005657500000000 ] - [ 0.0034234100000000, -0.0004375400000000, 0.0015652600000000 ] - [ -0.0021838900000000, 0.0024509900000000, -0.0028554300000000 ] - [ -0.0067821000000000, 0.0005208000000000, 0.0001455400000000 ] - [ -0.0067725100000000, 0.0005593100000000, 0.0001348700000000 ] - [ -0.0021810600000000, 0.0024561800000000, -0.0028595600000000 ] - [ -0.0038431400000000, -0.0023941800000000, -0.0017164800000000 ] - [ 0.0034247200000000, -0.0004316300000000, 0.0015713900000000 ] - [ -0.0010092600000000, 0.0000152600000000, 0.0007835000000000 ] - [ -0.0022873100000000, 0.0012162700000000, 0.0000169400000000 ] - [ -0.0038533200000000, -0.0023974000000000, -0.0017138700000000 ] - [ -0.0034779900000000, -0.0023088100000000, 0.0025893700000000 ] - [ -0.0034764500000000, -0.0023125100000000, 0.0025991300000000 ] - [ -0.0010175700000000, 0.0000029200000000, 0.0007868900000000 ] - [ -0.0022853200000000, 0.0012152600000000, 0.0000239100000000 ] - [ 0.0034234100000000, 0.0015652600000000, -0.0004375400000000 ] - [ -0.0021838900000000, -0.0028554300000000, 0.0024509900000000 ] - [ -0.0010092600000000, 0.0007835000000000, 0.0000152600000000 ] - [ -0.0010175700000000, 0.0007868900000000, 0.0000029200000000 ] - [ -0.0021810600000000, -0.0028595600000000, 0.0024561800000000 ] - [ -0.0022853200000000, 0.0000239100000000, 0.0012152600000000 ] - [ 0.0034247200000000, 0.0015713900000000, -0.0004316300000000 ] - [ -0.0067821000000000, 0.0001455400000000, 0.0005208000000000 ] - [ -0.0038533200000000, -0.0017138700000000, -0.0023974000000000 ] - [ -0.0022873100000000, 0.0000169400000000, 0.0012162700000000 ] - [ -0.0034779900000000, 0.0025893700000000, -0.0023088100000000 ] - [ -0.0034764500000000, 0.0025991300000000, -0.0023125100000000 ] - [ -0.0067725100000000, 0.0001348700000000, 0.0005593100000000 ] - [ -0.0038431400000000, -0.0017164800000000, -0.0023941800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0151113700000000, 0.0003427700000000, 0.0003427700000000 ] - [ 0.0130129600000000, 0.0182558200000000, 0.0022247700000000 ] - [ 0.0129564400000000, 0.0021996900000000, 0.0180981300000000 ] - [ 0.0070431800000000, -0.0001564400000000, -0.0001564400000000 ] - [ 0.0024489200000000, 0.0000982600000000, 0.0000982600000000 ] - [ -0.0000066100000000, -0.0023528900000000, 0.0004213700000000 ] - [ -0.0000016300000000, 0.0004236000000000, -0.0023441800000000 ] - [ 0.0070440100000000, -0.0001650700000000, -0.0001650700000000 ] - [ -0.0081268500000000, -0.0010865800000000, 0.0001838800000000 ] - [ -0.0000016300000000, -0.0023441800000000, 0.0004236000000000 ] - [ 0.0130129600000000, 0.0022247700000000, 0.0182558200000000 ] - [ -0.0219537500000000, 0.0025203600000000, 0.0024689500000000 ] - [ -0.0081268500000000, 0.0001838800000000, -0.0010865800000000 ] - [ 0.0129564400000000, 0.0180981300000000, 0.0021996900000000 ] - [ -0.0000066100000000, 0.0004213700000000, -0.0023528900000000 ] - [ -0.0219537500000000, 0.0024689500000000, 0.0025203600000000 ] - [ -0.1532389100000000, -0.0085754000000000, -0.0085754000000000 ] - [ -0.0231031900000000, 0.0151524500000000, 0.0151524500000000 ] - [ 0.0034317000000000, -0.0004368000000000, 0.0055373900000000 ] - [ 0.0257453500000000, -0.0350248300000000, -0.0151585800000000 ] - [ -0.0019918800000000, 0.0028827000000000, 0.0028827000000000 ] - [ -0.0231189900000000, 0.0151904300000000, 0.0151904300000000 ] - [ 0.0258049100000000, -0.0151848500000000, -0.0351455900000000 ] - [ 0.0034441600000000, 0.0055275600000000, -0.0004417700000000 ] - [ 0.0116108300000000, 0.0028822600000000, -0.0036088900000000 ] - [ 0.0124753800000000, 0.0004533700000000, 0.0004252200000000 ] - [ 0.0034441600000000, -0.0004417700000000, 0.0055275600000000 ] - [ 0.0034317000000000, 0.0055373900000000, -0.0004368000000000 ] - [ 0.0116108300000000, -0.0036088900000000, 0.0028822600000000 ] - [ 0.0124753800000000, 0.0004252200000000, 0.0004533700000000 ] - [ 0.0257453500000000, -0.0151585800000000, -0.0350248300000000 ] - [ 0.0258049100000000, -0.0351455900000000, -0.0151848500000000 ] - [ 0.0194134700000000, -0.0020323500000000, -0.0020323500000000 ] - [ -0.0080081500000000, 0.0032672000000000, 0.0032672000000000 ] - [ -0.0042443800000000, -0.0003710100000000, -0.0014652500000000 ] - [ -0.0042480200000000, -0.0003672400000000, -0.0014653300000000 ] - [ -0.0079851100000000, 0.0032672500000000, 0.0032672500000000 ] - [ -0.0112192700000000, -0.0047760800000000, 0.0018858700000000 ] - [ 0.0193029800000000, -0.0021380000000000, -0.0021380000000000 ] - [ -0.0042443800000000, -0.0014652500000000, -0.0003710100000000 ] - [ -0.0111930900000000, 0.0018693000000000, -0.0047679300000000 ] - [ -0.0111930900000000, -0.0047679300000000, 0.0018693000000000 ] - [ -0.0077142200000000, -0.0009833000000000, -0.0009833000000000 ] - [ -0.0077212700000000, -0.0009937500000000, -0.0009937500000000 ] - [ -0.0042480200000000, -0.0014653300000000, -0.0003672400000000 ] - [ -0.0112192700000000, 0.0018858700000000, -0.0047760800000000 ] - [ 0.0036868300000000, -0.0034040200000000, -0.0034040200000000 ] - [ -0.0018631700000000, -0.0000928100000000, -0.0000928100000000 ] - [ -0.0078268900000000, 0.0080877100000000, 0.0028395200000000 ] - [ -0.0078204700000000, 0.0080817600000000, 0.0028300400000000 ] - [ -0.0018639400000000, -0.0000940900000000, -0.0000940900000000 ] - [ -0.0027089200000000, -0.0012814500000000, -0.0005091200000000 ] - [ 0.0036779700000000, -0.0033875100000000, -0.0033875100000000 ] - [ -0.0078268900000000, 0.0028395200000000, 0.0080877100000000 ] - [ -0.0027149800000000, -0.0005001300000000, -0.0012893900000000 ] - [ -0.0027149800000000, -0.0012893900000000, -0.0005001300000000 ] - [ -0.0013694400000000, 0.0001271100000000, 0.0001271100000000 ] - [ -0.0013667900000000, 0.0001298600000000, 0.0001298600000000 ] - [ -0.0078204700000000, 0.0028300400000000, 0.0080817600000000 ] - [ -0.0027089200000000, -0.0005091200000000, -0.0012814500000000 ] - [ -0.0038131200000000, 0.0006760600000000, -0.0005859400000000 ] - [ 0.0005992100000000, -0.0043541300000000, 0.0086776300000000 ] - [ 0.0156510400000000, 0.0018653600000000, 0.0063110300000000 ] - [ 0.0166352300000000, 0.0007385600000000, 0.0071127800000000 ] - [ 0.0005954000000000, -0.0043535600000000, 0.0086869900000000 ] - [ 0.0076838700000000, 0.0074115000000000, 0.0018437700000000 ] - [ -0.0038025500000000, 0.0006704000000000, -0.0005943400000000 ] - [ 0.0022375300000000, -0.0011366000000000, -0.0016933600000000 ] - [ 0.0007046100000000, -0.0017613700000000, -0.0039566800000000 ] - [ 0.0077010400000000, 0.0074266800000000, 0.0018478300000000 ] - [ 0.0036374800000000, 0.0019088100000000, -0.0040824300000000 ] - [ 0.0036308400000000, 0.0019050800000000, -0.0040754700000000 ] - [ 0.0022431200000000, -0.0011445800000000, -0.0016963000000000 ] - [ 0.0006875900000000, -0.0017619500000000, -0.0039597200000000 ] - [ -0.0038131200000000, -0.0005859400000000, 0.0006760600000000 ] - [ 0.0005992100000000, 0.0086776300000000, -0.0043541300000000 ] - [ 0.0022375300000000, -0.0016933600000000, -0.0011366000000000 ] - [ 0.0022431200000000, -0.0016963000000000, -0.0011445800000000 ] - [ 0.0005954000000000, 0.0086869900000000, -0.0043535600000000 ] - [ 0.0006875900000000, -0.0039597200000000, -0.0017619500000000 ] - [ -0.0038025500000000, -0.0005943400000000, 0.0006704000000000 ] - [ 0.0156510400000000, 0.0063110300000000, 0.0018653600000000 ] - [ 0.0077010400000000, 0.0018478300000000, 0.0074266800000000 ] - [ 0.0007046100000000, -0.0039566800000000, -0.0017613700000000 ] - [ 0.0036374800000000, -0.0040824300000000, 0.0019088100000000 ] - [ 0.0036308400000000, -0.0040754700000000, 0.0019050800000000 ] - [ 0.0166352300000000, 0.0071127800000000, 0.0007385600000000 ] - [ 0.0076838700000000, 0.0018437700000000, 0.0074115000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003951600000000, 0.0017215700000000, -0.0000152600000000 ] - [ -0.0031995200000000, 0.0102856000000000, 0.0052670600000000 ] - [ -0.0024542100000000, 0.0020803900000000, -0.0023959000000000 ] - [ -0.0003744800000000, 0.0017521900000000, 0.0000004700000000 ] - [ -0.0001889500000000, -0.0010115000000000, -0.0007886000000000 ] - [ 0.0003909800000000, -0.0022938200000000, 0.0000186100000000 ] - [ 0.0028605700000000, -0.0038471800000000, 0.0005687600000000 ] - [ 0.0001870500000000, -0.0010175000000000, -0.0007809100000000 ] - [ -0.0004374800000000, 0.0037364600000000, -0.0005327300000000 ] - [ 0.0024514700000000, 0.0020934400000000, -0.0023961700000000 ] - [ 0.0035559500000000, 0.0100125200000000, 0.0055445600000000 ] - [ 0.0004319500000000, 0.0037576300000000, -0.0005474600000000 ] - [ 0.0015740800000000, -0.0067734000000000, 0.0044318300000000 ] - [ -0.0028539100000000, -0.0038495600000000, 0.0005763400000000 ] - [ -0.0003939000000000, -0.0022793000000000, 0.0000231100000000 ] - [ -0.0015625200000000, -0.0067818400000000, 0.0044021300000000 ] - [ -0.0025378200000000, 0.0156682800000000, -0.0020047400000000 ] - [ 0.0016218400000000, 0.0166066300000000, -0.0006043600000000 ] - [ -0.0087275100000000, -0.0112290800000000, -0.0039820700000000 ] - [ 0.0032660900000000, 0.0077212000000000, 0.0074358000000000 ] - [ -0.0033905700000000, -0.0078160300000000, -0.0081004100000000 ] - [ 0.0034017700000000, -0.0078318500000000, -0.0080703300000000 ] - [ 0.0043673700000000, 0.0006766700000000, -0.0047785200000000 ] - [ -0.0000903100000000, -0.0027163800000000, -0.0012919000000000 ] - [ 0.0006846000000000, 0.0022416800000000, 0.0003753100000000 ] - [ -0.0006621500000000, 0.0022353300000000, 0.0003646800000000 ] - [ 0.0001002900000000, -0.0027091000000000, -0.0012759300000000 ] - [ -0.0043403900000000, 0.0007142800000000, -0.0047647400000000 ] - [ -0.0005922800000000, -0.0042336200000000, 0.0017049200000000 ] - [ 0.0005893800000000, -0.0042601500000000, 0.0016868800000000 ] - [ -0.0032681200000000, 0.0076669900000000, 0.0074030700000000 ] - [ 0.0086394700000000, -0.0111866600000000, -0.0039369800000000 ] - [ 0.0005020700000000, -0.1206617700000000, -0.0567236400000000 ] - [ 0.0000032400000000, -0.0020684300000000, -0.0000002600000000 ] - [ 0.0011125900000000, -0.0022251600000000, -0.0006957300000000 ] - [ -0.0000322700000000, 0.0002838000000000, 0.0003920900000000 ] - [ -0.0013062400000000, -0.0001230400000000, 0.0012529400000000 ] - [ -0.0011242300000000, -0.0022272000000000, -0.0006963600000000 ] - [ 0.0063104400000000, 0.0151969700000000, 0.0142886400000000 ] - [ 0.0028809900000000, 0.0012060100000000, -0.0011261600000000 ] - [ -0.0001154000000000, -0.0014711100000000, -0.0007722700000000 ] - [ 0.0012550800000000, 0.0001590800000000, -0.0008968800000000 ] - [ 0.0009782900000000, -0.0001452500000000, 0.0001912500000000 ] - [ -0.0000432900000000, -0.0044910800000000, 0.0016114100000000 ] - [ 0.0005287700000000, 0.0014108500000000, 0.0000289900000000 ] - [ -0.0028622100000000, 0.0012135700000000, -0.0011096900000000 ] - [ -0.0000046000000000, 0.0041931600000000, 0.0040126800000000 ] - [ 0.0000030900000000, 0.0008148300000000, -0.0000005000000000 ] - [ -0.0025245300000000, 0.0035621800000000, 0.0008770400000000 ] - [ -0.0012604500000000, 0.0001537900000000, -0.0009111600000000 ] - [ 0.0013047000000000, -0.0001473800000000, 0.0012718200000000 ] - [ 0.0025484100000000, 0.0035893900000000, 0.0008819400000000 ] - [ -0.0063109300000000, 0.0153068700000000, 0.0143196600000000 ] - [ -0.0008420100000000, 0.0000112900000000, 0.0009438100000000 ] - [ -0.0005288500000000, 0.0014247200000000, 0.0000313800000000 ] - [ 0.0000276100000000, 0.0002751500000000, 0.0004003500000000 ] - [ -0.0009848800000000, -0.0001568100000000, 0.0001915900000000 ] - [ -0.0000005000000000, 0.0011262300000000, 0.0001048300000000 ] - [ 0.0001139600000000, -0.0014766200000000, -0.0007664600000000 ] - [ 0.0008352700000000, -0.0000077400000000, 0.0009366800000000 ] - [ -0.0000088600000000, -0.0012246400000000, -0.0001848100000000 ] - [ 0.0000027600000000, -0.0023754700000000, 0.0034444100000000 ] - [ 0.0053244900000000, -0.0074427300000000, 0.0022123500000000 ] - [ -0.0116882000000000, 0.0314822200000000, 0.0059314100000000 ] - [ 0.0004376800000000, -0.0001309100000000, -0.0012603900000000 ] - [ -0.0052714700000000, -0.0074642800000000, 0.0021648300000000 ] - [ -0.0026990900000000, 0.0018782400000000, -0.0017985100000000 ] - [ -0.0008394100000000, 0.0002797300000000, 0.0025360600000000 ] - [ 0.0062921800000000, -0.0061644400000000, 0.0117322200000000 ] - [ -0.0007647000000000, 0.0001645800000000, 0.0014840900000000 ] - [ 0.0006949800000000, 0.0011223500000000, -0.0029877600000000 ] - [ 0.0000004100000000, -0.0013750500000000, 0.0012251200000000 ] - [ 0.0001126700000000, 0.0030505400000000, 0.0012690800000000 ] - [ 0.0008376600000000, 0.0002791400000000, 0.0025377200000000 ] - [ -0.0000069000000000, 0.0018318500000000, -0.0001844500000000 ] - [ 0.0000081300000000, 0.0067917700000000, -0.0034446300000000 ] - [ -0.0009445400000000, 0.0035799300000000, 0.0001033600000000 ] - [ 0.0007738900000000, 0.0001473500000000, 0.0014752800000000 ] - [ -0.0004503600000000, -0.0001396800000000, -0.0012636900000000 ] - [ 0.0009374000000000, 0.0035721700000000, 0.0000868100000000 ] - [ 0.0026851800000000, 0.0018613400000000, -0.0017952700000000 ] - [ 0.0131698100000000, 0.0064411400000000, -0.0052770300000000 ] - [ -0.0001171700000000, 0.0030524600000000, 0.0012452700000000 ] - [ 0.0118918200000000, 0.0320008900000000, 0.0060382000000000 ] - [ -0.0006803300000000, 0.0011013400000000, -0.0029883100000000 ] - [ -0.0000018300000000, 0.0033979700000000, -0.0004017200000000 ] - [ -0.0063009100000000, -0.0060585500000000, 0.0118450000000000 ] - [ -0.0133033100000000, 0.0064805800000000, -0.0053191900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0053522300000000, 0.0027134200000000, 0.0027134200000000 ] - [ 0.0024324200000000, -0.0082925900000000, 0.0082925900000000 ] - [ -0.0021911500000000, -0.0003784600000000, -0.0017185400000000 ] - [ -0.0053522300000000, -0.0027134200000000, -0.0027134200000000 ] - [ -0.0009957300000000, 0.0000096800000000, 0.0000096800000000 ] - [ 0.0003795900000000, 0.0012225400000000, -0.0012225400000000 ] - [ -0.0021911500000000, 0.0017185400000000, 0.0003784600000000 ] - [ -0.0009957300000000, -0.0000096800000000, -0.0000096800000000 ] - [ 0.0034224700000000, -0.0009729800000000, 0.0001446200000000 ] - [ -0.0021911500000000, 0.0003784600000000, 0.0017185400000000 ] - [ 0.0024324200000000, 0.0082925900000000, -0.0082925900000000 ] - [ 0.0034224700000000, 0.0009729800000000, -0.0001446200000000 ] - [ 0.0034224700000000, 0.0001446200000000, -0.0009729800000000 ] - [ -0.0021911500000000, -0.0017185400000000, -0.0003784600000000 ] - [ 0.0003795900000000, -0.0012225400000000, 0.0012225400000000 ] - [ 0.0034224700000000, -0.0001446200000000, 0.0009729800000000 ] - [ 0.0193526700000000, 0.0064632000000000, 0.0064632000000000 ] - [ 0.0193526700000000, -0.0064632000000000, -0.0064632000000000 ] - [ 0.0006246400000000, -0.0018692300000000, -0.0017540500000000 ] - [ -0.0080102200000000, 0.0018447200000000, -0.0018447200000000 ] - [ 0.0036891800000000, 0.0028453800000000, 0.0028453800000000 ] - [ 0.0036891800000000, -0.0028453800000000, -0.0028453800000000 ] - [ 0.0006246400000000, 0.0017540500000000, 0.0018692300000000 ] - [ -0.0018715500000000, -0.0005047000000000, 0.0005047000000000 ] - [ -0.0038107100000000, -0.0011414000000000, -0.0014772800000000 ] - [ -0.0038107100000000, 0.0011414000000000, 0.0014772800000000 ] - [ -0.0018715500000000, 0.0005047000000000, -0.0005047000000000 ] - [ 0.0006246400000000, -0.0017540500000000, -0.0018692300000000 ] - [ -0.0038107100000000, -0.0014772800000000, -0.0011414000000000 ] - [ -0.0038107100000000, 0.0014772800000000, 0.0011414000000000 ] - [ -0.0080102200000000, -0.0018447200000000, 0.0018447200000000 ] - [ 0.0006246400000000, 0.0018692300000000, 0.0017540500000000 ] - [ -0.0656545400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0030175000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012074100000000, 0.0007037600000000, 0.0020962400000000 ] - [ 0.0014208300000000, -0.0003981200000000, 0.0004887300000000 ] - [ 0.0000659800000000, -0.0004448000000000, -0.0004448000000000 ] - [ 0.0012074100000000, -0.0007037600000000, -0.0020962400000000 ] - [ 0.0047623600000000, 0.0063400200000000, 0.0063400200000000 ] - [ 0.0012074100000000, 0.0020962400000000, 0.0007037600000000 ] - [ 0.0030536300000000, 0.0002488100000000, 0.0014751700000000 ] - [ 0.0030536300000000, 0.0014751700000000, 0.0002488100000000 ] - [ 0.0020815900000000, -0.0005754100000000, -0.0005754100000000 ] - [ 0.0141444000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014208300000000, 0.0004887300000000, -0.0003981200000000 ] - [ 0.0012074100000000, -0.0020962400000000, -0.0007037600000000 ] - [ -0.0011512100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006575200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002747000000000, -0.0000899500000000, -0.0001864800000000 ] - [ 0.0030536300000000, -0.0014751700000000, -0.0002488100000000 ] - [ 0.0000659800000000, 0.0004448000000000, 0.0004448000000000 ] - [ 0.0002747000000000, 0.0000899500000000, 0.0001864800000000 ] - [ 0.0047623600000000, -0.0063400200000000, -0.0063400200000000 ] - [ 0.0002747000000000, -0.0001864800000000, -0.0000899500000000 ] - [ 0.0014208300000000, -0.0004887300000000, 0.0003981200000000 ] - [ 0.0014208300000000, 0.0003981200000000, -0.0004887300000000 ] - [ 0.0020815900000000, 0.0005754100000000, 0.0005754100000000 ] - [ 0.0004511500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0030536300000000, -0.0002488100000000, -0.0014751700000000 ] - [ 0.0002747000000000, 0.0001864800000000, 0.0000899500000000 ] - [ 0.0015108700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003937500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0064463100000000, -0.0021838500000000, 0.0073134100000000 ] - [ -0.0061483100000000, -0.0059386600000000, -0.0041009400000000 ] - [ 0.0000746600000000, 0.0013049300000000, -0.0013049300000000 ] - [ 0.0064463100000000, 0.0021838500000000, -0.0073134100000000 ] - [ 0.0052904600000000, -0.0027054200000000, 0.0027054200000000 ] - [ 0.0000051300000000, -0.0001875900000000, -0.0008831700000000 ] - [ -0.0061483100000000, 0.0041009400000000, 0.0059386600000000 ] - [ -0.0014756400000000, -0.0009024600000000, 0.0002514800000000 ] - [ -0.0036422100000000, -0.0027668300000000, 0.0027668300000000 ] - [ -0.0007651200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014756400000000, -0.0002514800000000, 0.0009024600000000 ] - [ 0.0000051300000000, 0.0001875900000000, 0.0008831700000000 ] - [ 0.0015108700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003937500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000051300000000, -0.0008831700000000, -0.0001875900000000 ] - [ -0.0014756400000000, 0.0009024600000000, -0.0002514800000000 ] - [ 0.0000746600000000, -0.0013049300000000, 0.0013049300000000 ] - [ 0.0000051300000000, 0.0008831700000000, 0.0001875900000000 ] - [ 0.0052904600000000, 0.0027054200000000, -0.0027054200000000 ] - [ 0.0064463100000000, 0.0073134100000000, -0.0021838500000000 ] - [ -0.0014756400000000, 0.0002514800000000, -0.0009024600000000 ] - [ -0.0061483100000000, 0.0059386600000000, 0.0041009400000000 ] - [ -0.0036422100000000, 0.0027668300000000, -0.0027668300000000 ] - [ -0.0007651200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0061483100000000, -0.0041009400000000, -0.0059386600000000 ] - [ 0.0064463100000000, -0.0073134100000000, 0.0021838500000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0053119100000000, -0.0026735600000000, -0.0026735600000000 ] - [ -0.0020252100000000, 0.0084888900000000, -0.0084888900000000 ] - [ 0.0021752900000000, 0.0003853000000000, 0.0017150500000000 ] - [ 0.0053119100000000, 0.0026735600000000, 0.0026735600000000 ] - [ 0.0009990200000000, -0.0000117800000000, -0.0000117800000000 ] - [ -0.0003745100000000, -0.0012120000000000, 0.0012120000000000 ] - [ 0.0021752900000000, -0.0017150500000000, -0.0003853000000000 ] - [ 0.0009990200000000, 0.0000117800000000, 0.0000117800000000 ] - [ -0.0034275300000000, 0.0009607100000000, -0.0001377200000000 ] - [ 0.0021752900000000, -0.0003853000000000, -0.0017150500000000 ] - [ -0.0020252100000000, -0.0084888900000000, 0.0084888900000000 ] - [ -0.0034275300000000, -0.0009607100000000, 0.0001377200000000 ] - [ -0.0034275300000000, -0.0001377200000000, 0.0009607100000000 ] - [ 0.0021752900000000, 0.0017150500000000, 0.0003853000000000 ] - [ -0.0003745100000000, 0.0012120000000000, -0.0012120000000000 ] - [ -0.0034275300000000, 0.0001377200000000, -0.0009607100000000 ] - [ -0.0193562900000000, -0.0069473500000000, -0.0069473500000000 ] - [ -0.0193562900000000, 0.0069473500000000, 0.0069473500000000 ] - [ -0.0005728300000000, 0.0018863800000000, 0.0017656400000000 ] - [ 0.0079835000000000, -0.0018459500000000, 0.0018459500000000 ] - [ -0.0036779200000000, -0.0028252800000000, -0.0028252800000000 ] - [ -0.0036779200000000, 0.0028252800000000, 0.0028252800000000 ] - [ -0.0005728300000000, -0.0017656400000000, -0.0018863800000000 ] - [ 0.0018568500000000, 0.0005065300000000, -0.0005065300000000 ] - [ 0.0038044800000000, 0.0011413900000000, 0.0014573000000000 ] - [ 0.0038044800000000, -0.0011413900000000, -0.0014573000000000 ] - [ 0.0018568500000000, -0.0005065300000000, 0.0005065300000000 ] - [ -0.0005728300000000, 0.0017656400000000, 0.0018863800000000 ] - [ 0.0038044800000000, 0.0014573000000000, 0.0011413900000000 ] - [ 0.0038044800000000, -0.0014573000000000, -0.0011413900000000 ] - [ 0.0079835000000000, 0.0018459500000000, -0.0018459500000000 ] - [ -0.0005728300000000, -0.0018863800000000, -0.0017656400000000 ] - [ 0.0650049700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0029923000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0012114000000000, -0.0006881500000000, -0.0020646200000000 ] - [ -0.0014125000000000, 0.0003936600000000, -0.0004961400000000 ] - [ -0.0000848900000000, 0.0004424200000000, 0.0004424200000000 ] - [ -0.0012114000000000, 0.0006881500000000, 0.0020646200000000 ] - [ -0.0047614200000000, -0.0062787000000000, -0.0062787000000000 ] - [ -0.0012114000000000, -0.0020646200000000, -0.0006881500000000 ] - [ -0.0030486000000000, -0.0002391500000000, -0.0014810200000000 ] - [ -0.0030486000000000, -0.0014810200000000, -0.0002391500000000 ] - [ -0.0020677500000000, 0.0005658400000000, 0.0005658400000000 ] - [ -0.0138948600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014125000000000, -0.0004961400000000, 0.0003936600000000 ] - [ -0.0012114000000000, 0.0020646200000000, 0.0006881500000000 ] - [ 0.0011372700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006481400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002859600000000, 0.0001020700000000, 0.0001977800000000 ] - [ -0.0030486000000000, 0.0014810200000000, 0.0002391500000000 ] - [ -0.0000848900000000, -0.0004424200000000, -0.0004424200000000 ] - [ -0.0002859600000000, -0.0001020700000000, -0.0001977800000000 ] - [ -0.0047614200000000, 0.0062787000000000, 0.0062787000000000 ] - [ -0.0002859600000000, 0.0001977800000000, 0.0001020700000000 ] - [ -0.0014125000000000, 0.0004961400000000, -0.0003936600000000 ] - [ -0.0014125000000000, -0.0003936600000000, 0.0004961400000000 ] - [ -0.0020677500000000, -0.0005658400000000, -0.0005658400000000 ] - [ -0.0004532900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0030486000000000, 0.0002391500000000, 0.0014810200000000 ] - [ -0.0002859600000000, -0.0001977800000000, -0.0001020700000000 ] - [ -0.0015184100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003952900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0064758900000000, 0.0021927000000000, -0.0073884100000000 ] - [ 0.0060743000000000, 0.0060292600000000, 0.0041212900000000 ] - [ -0.0000775800000000, -0.0013070500000000, 0.0013070500000000 ] - [ -0.0064758900000000, -0.0021927000000000, 0.0073884100000000 ] - [ -0.0052409400000000, 0.0026803500000000, -0.0026803500000000 ] - [ -0.0000003400000000, 0.0001975300000000, 0.0008769100000000 ] - [ 0.0060743000000000, -0.0041212900000000, -0.0060292600000000 ] - [ 0.0014732500000000, 0.0009046100000000, -0.0002357800000000 ] - [ 0.0036076300000000, 0.0027497700000000, -0.0027497700000000 ] - [ 0.0007693400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014732500000000, 0.0002357800000000, -0.0009046100000000 ] - [ -0.0000003400000000, -0.0001975300000000, -0.0008769100000000 ] - [ -0.0015184100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003952900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000003400000000, 0.0008769100000000, 0.0001975300000000 ] - [ 0.0014732500000000, -0.0009046100000000, 0.0002357800000000 ] - [ -0.0000775800000000, 0.0013070500000000, -0.0013070500000000 ] - [ -0.0000003400000000, -0.0008769100000000, -0.0001975300000000 ] - [ -0.0052409400000000, -0.0026803500000000, 0.0026803500000000 ] - [ -0.0064758900000000, -0.0073884100000000, 0.0021927000000000 ] - [ 0.0014732500000000, -0.0002357800000000, 0.0009046100000000 ] - [ 0.0060743000000000, -0.0060292600000000, -0.0041212900000000 ] - [ 0.0036076300000000, -0.0027497700000000, 0.0027497700000000 ] - [ 0.0007693400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0060743000000000, 0.0041212900000000, 0.0060292600000000 ] - [ -0.0064758900000000, 0.0073884100000000, -0.0021927000000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0270437100000000, -0.0224837600000000, -0.0224837600000000 ] - [ -0.0034801000000000, 0.0025907300000000, -0.0015547300000000 ] - [ 0.0275482500000000, 0.0234526600000000, -0.0234526600000000 ] - [ 0.0028132100000000, 0.0023097400000000, 0.0023097400000000 ] - [ 0.0028132100000000, -0.0023097400000000, -0.0023097400000000 ] - [ -0.0034801000000000, 0.0015547300000000, -0.0025907300000000 ] - [ 0.0028189700000000, 0.0023112900000000, -0.0023112900000000 ] - [ 0.0270437100000000, 0.0224837600000000, 0.0224837600000000 ] - [ -0.0034748700000000, 0.0015535600000000, 0.0025972700000000 ] - [ 0.0028189700000000, -0.0023112900000000, 0.0023112900000000 ] - [ -0.0034801000000000, -0.0015547300000000, 0.0025907300000000 ] - [ -0.0034748700000000, -0.0025972700000000, -0.0015535600000000 ] - [ -0.0034748700000000, 0.0025972700000000, 0.0015535600000000 ] - [ 0.0275482500000000, -0.0234526600000000, 0.0234526600000000 ] - [ -0.0034801000000000, -0.0025907300000000, 0.0015547300000000 ] - [ -0.0034748700000000, -0.0015535600000000, -0.0025972700000000 ] - [ -0.0077156600000000, -0.0040975100000000, -0.0040975100000000 ] - [ -0.0013619600000000, -0.0001314700000000, -0.0001314700000000 ] - [ -0.0013724800000000, -0.0001280100000000, 0.0001280100000000 ] - [ 0.0036484900000000, -0.0009849700000000, -0.0019010400000000 ] - [ -0.0013619600000000, 0.0001314700000000, 0.0001314700000000 ] - [ -0.0077156600000000, 0.0040975100000000, 0.0040975100000000 ] - [ -0.0077188400000000, 0.0040590800000000, -0.0040590800000000 ] - [ 0.0036484900000000, 0.0019010400000000, 0.0009849700000000 ] - [ 0.0036206100000000, 0.0019139800000000, -0.0009907000000000 ] - [ 0.0036206100000000, 0.0009907000000000, -0.0019139800000000 ] - [ 0.0036484900000000, 0.0009849700000000, 0.0019010400000000 ] - [ -0.0013724800000000, 0.0001280100000000, -0.0001280100000000 ] - [ 0.0036206100000000, -0.0009907000000000, 0.0019139800000000 ] - [ 0.0036206100000000, -0.0019139800000000, 0.0009907000000000 ] - [ 0.0036484900000000, -0.0019010400000000, -0.0009849700000000 ] - [ -0.0077188400000000, -0.0040590800000000, 0.0040590800000000 ] - [ 0.0020692100000000, 0.0009854900000000, 0.0009854900000000 ] - [ -0.0036180700000000, -0.0006906000000000, -0.0006906000000000 ] - [ -0.0001466100000000, -0.0001934700000000, -0.0005630300000000 ] - [ -0.0044917800000000, -0.0016093000000000, 0.0000267300000000 ] - [ 0.0139187500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011201100000000, -0.0029794100000000, 0.0027520400000000 ] - [ 0.0141234700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001466100000000, -0.0005630300000000, -0.0001934700000000 ] - [ -0.0044917800000000, -0.0000267300000000, 0.0016093000000000 ] - [ -0.0044917800000000, 0.0016093000000000, -0.0000267300000000 ] - [ -0.1542223800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0109157900000000, -0.0096838200000000, -0.0096838200000000 ] - [ -0.0044917800000000, 0.0000267300000000, -0.0016093000000000 ] - [ 0.0011201100000000, 0.0027520400000000, -0.0029794100000000 ] - [ 0.0020692100000000, -0.0009854900000000, -0.0009854900000000 ] - [ -0.0036180700000000, 0.0006906000000000, 0.0006906000000000 ] - [ 0.0011201100000000, 0.0029794100000000, -0.0027520400000000 ] - [ -0.0013756100000000, 0.0004020700000000, -0.0000068400000000 ] - [ 0.0004471400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001466100000000, 0.0001934700000000, 0.0005630300000000 ] - [ 0.0004550600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011201100000000, -0.0027520400000000, 0.0029794100000000 ] - [ -0.0013756100000000, 0.0000068400000000, -0.0004020700000000 ] - [ -0.0013756100000000, -0.0004020700000000, 0.0000068400000000 ] - [ -0.0022479800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0109157900000000, 0.0096838200000000, 0.0096838200000000 ] - [ -0.0013756100000000, -0.0000068400000000, 0.0004020700000000 ] - [ -0.0001466100000000, 0.0005630300000000, 0.0001934700000000 ] - [ -0.0036356000000000, 0.0006838400000000, -0.0006838400000000 ] - [ 0.0020777000000000, -0.0009764500000000, 0.0009764500000000 ] - [ 0.0011048600000000, 0.0029957800000000, 0.0027658800000000 ] - [ 0.0033970400000000, -0.0012234000000000, 0.0000009300000000 ] - [ -0.0007773700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001541500000000, 0.0001901900000000, -0.0005737600000000 ] - [ -0.0007584000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001541500000000, 0.0005737600000000, -0.0001901900000000 ] - [ 0.0011262900000000, 0.0000070200000000, 0.0001045400000000 ] - [ 0.0033970400000000, 0.0012234000000000, -0.0000009300000000 ] - [ 0.0026916100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0109543000000000, 0.0096895600000000, -0.0096895600000000 ] - [ 0.0011262900000000, -0.0000070200000000, -0.0001045400000000 ] - [ 0.0011048600000000, -0.0027658800000000, -0.0029957800000000 ] - [ -0.0036356000000000, -0.0006838400000000, 0.0006838400000000 ] - [ 0.0020777000000000, 0.0009764500000000, -0.0009764500000000 ] - [ -0.0001541500000000, -0.0001901900000000, 0.0005737600000000 ] - [ 0.0011262900000000, -0.0001045400000000, -0.0000070200000000 ] - [ -0.0007773700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011048600000000, -0.0029957800000000, -0.0027658800000000 ] - [ -0.0007584000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011048600000000, 0.0027658800000000, 0.0029957800000000 ] - [ 0.0033970400000000, -0.0000009300000000, 0.0012234000000000 ] - [ 0.0011262900000000, 0.0001045400000000, 0.0000070200000000 ] - [ 0.0026916100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0109543000000000, -0.0096895600000000, 0.0096895600000000 ] - [ 0.0033970400000000, 0.0000009300000000, -0.0012234000000000 ] - [ -0.0001541500000000, -0.0005737600000000, 0.0001901900000000 ]