# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5cbaddff-786f-4cd6-9b47-75155ed95acf/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 Hg4Pb2N6O19 / Fd-3m (227) / materials id 646297](https://mdr.nims.go.jp/datasets/726de39d-c5f9-4616-8a4b-4f5e726df63f) ## 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, 7.747417330000000, 7.747417330000000 ] # a - [ 7.747417330000000, 0.000000000000000, 7.747417330000000 ] # b - [ 7.747417330000000, 7.747417330000000, 0.000000000000000 ] # c points: - symbol: Hg # 1 coordinates: [ 0.171225980000000, 0.171225980000000, 0.486322060000000 ] mass: 200.590000 - symbol: Hg # 2 coordinates: [ 0.486322060000000, 0.171225980000000, 0.171225980000000 ] mass: 200.590000 - symbol: Hg # 3 coordinates: [ 0.078774020000000, 0.763677940000000, 0.078774020000000 ] mass: 200.590000 - symbol: Hg # 4 coordinates: [ 0.078774020000000, 0.078774020000000, 0.078774020000000 ] mass: 200.590000 - symbol: Hg # 5 coordinates: [ 0.078774020000000, 0.078774020000000, 0.763677940000000 ] mass: 200.590000 - symbol: Hg # 6 coordinates: [ 0.171225980000000, 0.486322060000000, 0.171225980000000 ] mass: 200.590000 - symbol: Hg # 7 coordinates: [ 0.763677940000000, 0.078774020000000, 0.078774020000000 ] mass: 200.590000 - symbol: Hg # 8 coordinates: [ 0.171225980000000, 0.171225980000000, 0.171225980000000 ] mass: 200.590000 - symbol: Pb # 9 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 207.200000 - symbol: Pb # 10 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 207.200000 - symbol: Pb # 11 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 207.200000 - symbol: Pb # 12 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 207.200000 - symbol: N # 13 coordinates: [ 0.736840390000000, 0.736840390000000, 0.263159610000000 ] mass: 14.006700 - symbol: N # 14 coordinates: [ 0.513159610000000, 0.513159610000000, 0.986840390000000 ] mass: 14.006700 - symbol: N # 15 coordinates: [ 0.986840390000000, 0.513159610000000, 0.986840390000000 ] mass: 14.006700 - symbol: N # 16 coordinates: [ 0.513159610000000, 0.986840390000000, 0.513159610000000 ] mass: 14.006700 - symbol: N # 17 coordinates: [ 0.986840390000000, 0.986840390000000, 0.513159610000000 ] mass: 14.006700 - symbol: N # 18 coordinates: [ 0.263159610000000, 0.736840390000000, 0.736840390000000 ] mass: 14.006700 - symbol: N # 19 coordinates: [ 0.513159610000000, 0.986840390000000, 0.986840390000000 ] mass: 14.006700 - symbol: N # 20 coordinates: [ 0.263159610000000, 0.263159610000000, 0.736840390000000 ] mass: 14.006700 - symbol: N # 21 coordinates: [ 0.263159610000000, 0.736840390000000, 0.263159610000000 ] mass: 14.006700 - symbol: N # 22 coordinates: [ 0.986840390000000, 0.513159610000000, 0.513159610000000 ] mass: 14.006700 - symbol: N # 23 coordinates: [ 0.736840390000000, 0.263159610000000, 0.263159610000000 ] mass: 14.006700 - symbol: N # 24 coordinates: [ 0.736840390000000, 0.263159610000000, 0.736840390000000 ] mass: 14.006700 - symbol: O # 25 coordinates: [ 0.777390310000000, 0.322567690000000, 0.777390310000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.322567690000000, 0.777390310000000, 0.777390310000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.654934460000000, 0.345065540000000, 0.345065540000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.472609690000000, 0.127348310000000, 0.927432310000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.122651690000000, 0.322567690000000, 0.777390310000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.322567690000000, 0.777390310000000, 0.122651690000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.472609690000000, 0.472609690000000, 0.127348310000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.927432310000000, 0.472609690000000, 0.127348310000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.904934460000000, 0.595065540000000, 0.904934460000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.654934460000000, 0.345065540000000, 0.654934460000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.654934460000000, 0.654934460000000, 0.345065540000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.127348310000000, 0.927432310000000, 0.472609690000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.122651690000000, 0.777390310000000, 0.777390310000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.345065540000000, 0.654934460000000, 0.654934460000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.345065540000000, 0.654934460000000, 0.345065540000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.127348310000000, 0.472609690000000, 0.927432310000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.777390310000000, 0.122651690000000, 0.322567690000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.904934460000000, 0.595065540000000, 0.595065540000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.927432310000000, 0.472609690000000, 0.472609690000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.777390310000000, 0.777390310000000, 0.322567690000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.472609690000000, 0.127348310000000, 0.472609690000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.927432310000000, 0.127348310000000, 0.472609690000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.472609690000000, 0.472609690000000, 0.927432310000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.472609690000000, 0.927432310000000, 0.472609690000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.904934460000000, 0.904934460000000, 0.595065540000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.595065540000000, 0.904934460000000, 0.904934460000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.345065540000000, 0.345065540000000, 0.654934460000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.595065540000000, 0.904934460000000, 0.595065540000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.127348310000000, 0.472609690000000, 0.472609690000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.472609690000000, 0.927432310000000, 0.127348310000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.777390310000000, 0.122651690000000, 0.777390310000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.122651690000000, 0.777390310000000, 0.322567690000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.777390310000000, 0.777390310000000, 0.122651690000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.777390310000000, 0.322567690000000, 0.122651690000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.322567690000000, 0.122651690000000, 0.777390310000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.595065540000000, 0.595065540000000, 0.904934460000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.064537636053743, 0.064537636053743, 0.064537636053743 ] # a* - [ 0.064537636053743, -0.064537636053743, 0.064537636053743 ] # b* - [ 0.064537636053743, 0.064537636053743, -0.064537636053743 ] # c*unit_cell: lattice: - [ 15.494834660000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.494834660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.494834660000000 ] # c points: - symbol: Hg # 1 coordinates: [ 0.328774020000000, 0.828774020000000, 0.671225980000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 2 coordinates: [ 0.171225980000000, 0.828774020000000, 0.828774020000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 3 coordinates: [ 0.921225980000000, 0.078774020000000, 0.921225980000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 4 coordinates: [ 0.078774020000000, 0.078774020000000, 0.078774020000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 5 coordinates: [ 0.921225980000000, 0.921225980000000, 0.078774020000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 6 coordinates: [ 0.328774020000000, 0.671225980000000, 0.828774020000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 7 coordinates: [ 0.078774020000000, 0.921225980000000, 0.921225980000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 8 coordinates: [ 0.171225980000000, 0.671225980000000, 0.671225980000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 9 coordinates: [ 0.328774020000000, 0.328774020000000, 0.171225980000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 10 coordinates: [ 0.171225980000000, 0.328774020000000, 0.328774020000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 11 coordinates: [ 0.921225980000000, 0.578774020000000, 0.421225980000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 12 coordinates: [ 0.078774020000000, 0.578774020000000, 0.578774020000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 13 coordinates: [ 0.921225980000000, 0.421225980000000, 0.578774020000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 14 coordinates: [ 0.328774020000000, 0.171225980000000, 0.328774020000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 15 coordinates: [ 0.078774020000000, 0.421225980000000, 0.421225980000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 16 coordinates: [ 0.171225980000000, 0.171225980000000, 0.171225980000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 17 coordinates: [ 0.828774020000000, 0.828774020000000, 0.171225980000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 18 coordinates: [ 0.671225980000000, 0.828774020000000, 0.328774020000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 19 coordinates: [ 0.421225980000000, 0.078774020000000, 0.421225980000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 20 coordinates: [ 0.578774020000000, 0.078774020000000, 0.578774020000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 21 coordinates: [ 0.421225980000000, 0.921225980000000, 0.578774020000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 22 coordinates: [ 0.828774020000000, 0.671225980000000, 0.328774020000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 23 coordinates: [ 0.578774020000000, 0.921225980000000, 0.421225980000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 24 coordinates: [ 0.671225980000000, 0.671225980000000, 0.171225980000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 25 coordinates: [ 0.828774020000000, 0.328774020000000, 0.671225980000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 26 coordinates: [ 0.671225980000000, 0.328774020000000, 0.828774020000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 27 coordinates: [ 0.421225980000000, 0.578774020000000, 0.921225980000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 28 coordinates: [ 0.578774020000000, 0.578774020000000, 0.078774020000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 29 coordinates: [ 0.421225980000000, 0.421225980000000, 0.078774020000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 30 coordinates: [ 0.828774020000000, 0.171225980000000, 0.828774020000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 31 coordinates: [ 0.578774020000000, 0.421225980000000, 0.921225980000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 32 coordinates: [ 0.671225980000000, 0.171225980000000, 0.671225980000000 ] mass: 200.590000 reduced_to: 8 - symbol: Pb # 33 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 34 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 34 - symbol: Pb # 35 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 36 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 36 - symbol: Pb # 37 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 38 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 34 - symbol: Pb # 39 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 40 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 36 - symbol: Pb # 41 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 42 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 34 - symbol: Pb # 43 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 44 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 36 - symbol: Pb # 45 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 46 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 34 - symbol: Pb # 47 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 48 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 36 - symbol: N # 49 coordinates: [ 0.500000000000000, 0.500000000000000, 0.736840390000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.750000000000000, 0.250000000000000, 0.013159610000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 51 coordinates: [ 0.750000000000000, 0.486840390000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 52 coordinates: [ 0.750000000000000, 0.013159610000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 53 coordinates: [ 0.750000000000000, 0.250000000000000, 0.486840390000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 54 coordinates: [ 0.736840390000000, 0.500000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 55 coordinates: [ 0.986840390000000, 0.250000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 56 coordinates: [ 0.500000000000000, 0.500000000000000, 0.263159610000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 57 coordinates: [ 0.500000000000000, 0.263159610000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 58 coordinates: [ 0.513159610000000, 0.250000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 59 coordinates: [ 0.263159610000000, 0.500000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 60 coordinates: [ 0.500000000000000, 0.736840390000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 60 - symbol: N # 61 coordinates: [ 0.500000000000000, 0.000000000000000, 0.236840390000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 62 coordinates: [ 0.750000000000000, 0.750000000000000, 0.513159610000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 63 coordinates: [ 0.750000000000000, 0.986840390000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 64 coordinates: [ 0.750000000000000, 0.513159610000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 65 coordinates: [ 0.750000000000000, 0.750000000000000, 0.986840390000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 66 coordinates: [ 0.736840390000000, 0.000000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 67 coordinates: [ 0.986840390000000, 0.750000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 68 coordinates: [ 0.500000000000000, 0.000000000000000, 0.763159610000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 69 coordinates: [ 0.500000000000000, 0.763159610000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 70 coordinates: [ 0.513159610000000, 0.750000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 71 coordinates: [ 0.263159610000000, 0.000000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 72 coordinates: [ 0.500000000000000, 0.236840390000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 60 - symbol: N # 73 coordinates: [ 0.000000000000000, 0.500000000000000, 0.236840390000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 74 coordinates: [ 0.250000000000000, 0.250000000000000, 0.513159610000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 75 coordinates: [ 0.250000000000000, 0.486840390000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 76 coordinates: [ 0.250000000000000, 0.013159610000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 77 coordinates: [ 0.250000000000000, 0.250000000000000, 0.986840390000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 78 coordinates: [ 0.236840390000000, 0.500000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 79 coordinates: [ 0.486840390000000, 0.250000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.763159610000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 81 coordinates: [ 0.000000000000000, 0.263159610000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 82 coordinates: [ 0.013159610000000, 0.250000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 83 coordinates: [ 0.763159610000000, 0.500000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 84 coordinates: [ 0.000000000000000, 0.736840390000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 60 - symbol: N # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.736840390000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 86 coordinates: [ 0.250000000000000, 0.750000000000000, 0.013159610000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 87 coordinates: [ 0.250000000000000, 0.986840390000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 88 coordinates: [ 0.250000000000000, 0.513159610000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 89 coordinates: [ 0.250000000000000, 0.750000000000000, 0.486840390000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 90 coordinates: [ 0.236840390000000, 0.000000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 91 coordinates: [ 0.486840390000000, 0.750000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 92 coordinates: [ 0.000000000000000, 0.000000000000000, 0.263159610000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 93 coordinates: [ 0.000000000000000, 0.763159610000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 94 coordinates: [ 0.013159610000000, 0.750000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 95 coordinates: [ 0.763159610000000, 0.000000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 96 coordinates: [ 0.000000000000000, 0.236840390000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 60 - symbol: O # 97 coordinates: [ 0.549979000000000, 0.277390310000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.777390310000000, 0.049979000000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.345065540000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.527390310000000, 0.700021000000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.549979000000000, 0.450021000000000, 0.222609690000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.950021000000000, 0.222609690000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.299979000000000, 0.299979000000000, 0.472609690000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.299979000000000, 0.527390310000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.750000000000000, 0.404934460000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.500000000000000, 0.654934460000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.500000000000000, 0.500000000000000, 0.654934460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.700021000000000, 0.299979000000000, 0.527390310000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.777390310000000, 0.450021000000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.654934460000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.500000000000000, 0.345065540000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.700021000000000, 0.527390310000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.722609690000000, 0.049979000000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.595065540000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.472609690000000, 0.700021000000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.549979000000000, 0.049979000000000, 0.277390310000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.299979000000000, 0.472609690000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.299979000000000, 0.700021000000000, 0.527390310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.700021000000000, 0.700021000000000, 0.472609690000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.700021000000000, 0.472609690000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.750000000000000, 0.250000000000000, 0.404934460000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.904934460000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.500000000000000, 0.500000000000000, 0.345065540000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.750000000000000, 0.095065540000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.472609690000000, 0.299979000000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.527390310000000, 0.299979000000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.950021000000000, 0.277390310000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.549979000000000, 0.222609690000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.950021000000000, 0.450021000000000, 0.277390310000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.722609690000000, 0.450021000000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.950021000000000, 0.049979000000000, 0.222609690000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.750000000000000, 0.250000000000000, 0.095065540000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.549979000000000, 0.777390310000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 136 coordinates: [ 0.777390310000000, 0.549979000000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 137 coordinates: [ 0.345065540000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 138 coordinates: [ 0.527390310000000, 0.200021000000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 139 coordinates: [ 0.549979000000000, 0.950021000000000, 0.722609690000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 140 coordinates: [ 0.950021000000000, 0.722609690000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 141 coordinates: [ 0.299979000000000, 0.799979000000000, 0.972609690000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 142 coordinates: [ 0.299979000000000, 0.027390310000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 143 coordinates: [ 0.750000000000000, 0.904934460000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 144 coordinates: [ 0.500000000000000, 0.154934460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 145 coordinates: [ 0.500000000000000, 0.000000000000000, 0.154934460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 146 coordinates: [ 0.700021000000000, 0.799979000000000, 0.027390310000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 147 coordinates: [ 0.777390310000000, 0.950021000000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 148 coordinates: [ 0.654934460000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 149 coordinates: [ 0.500000000000000, 0.845065540000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 150 coordinates: [ 0.700021000000000, 0.027390310000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 151 coordinates: [ 0.722609690000000, 0.549979000000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 152 coordinates: [ 0.595065540000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 153 coordinates: [ 0.472609690000000, 0.200021000000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 154 coordinates: [ 0.549979000000000, 0.549979000000000, 0.777390310000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 155 coordinates: [ 0.299979000000000, 0.972609690000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 156 coordinates: [ 0.299979000000000, 0.200021000000000, 0.027390310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 157 coordinates: [ 0.700021000000000, 0.200021000000000, 0.972609690000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 158 coordinates: [ 0.700021000000000, 0.972609690000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 159 coordinates: [ 0.750000000000000, 0.750000000000000, 0.904934460000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 160 coordinates: [ 0.904934460000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 161 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 162 coordinates: [ 0.500000000000000, 0.000000000000000, 0.845065540000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 163 coordinates: [ 0.750000000000000, 0.595065540000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 164 coordinates: [ 0.472609690000000, 0.799979000000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 165 coordinates: [ 0.527390310000000, 0.799979000000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 166 coordinates: [ 0.950021000000000, 0.777390310000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 167 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 168 coordinates: [ 0.549979000000000, 0.722609690000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 169 coordinates: [ 0.950021000000000, 0.950021000000000, 0.777390310000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 170 coordinates: [ 0.722609690000000, 0.950021000000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 171 coordinates: [ 0.950021000000000, 0.549979000000000, 0.722609690000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 172 coordinates: [ 0.750000000000000, 0.750000000000000, 0.595065540000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 173 coordinates: [ 0.049979000000000, 0.277390310000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 174 coordinates: [ 0.277390310000000, 0.049979000000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 175 coordinates: [ 0.845065540000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 176 coordinates: [ 0.027390310000000, 0.700021000000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 177 coordinates: [ 0.049979000000000, 0.450021000000000, 0.722609690000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 178 coordinates: [ 0.450021000000000, 0.222609690000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 179 coordinates: [ 0.799979000000000, 0.299979000000000, 0.972609690000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 180 coordinates: [ 0.799979000000000, 0.527390310000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 181 coordinates: [ 0.250000000000000, 0.404934460000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 182 coordinates: [ 0.000000000000000, 0.654934460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 183 coordinates: [ 0.000000000000000, 0.500000000000000, 0.154934460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 184 coordinates: [ 0.200021000000000, 0.299979000000000, 0.027390310000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 185 coordinates: [ 0.277390310000000, 0.450021000000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 186 coordinates: [ 0.154934460000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 187 coordinates: [ 0.000000000000000, 0.345065540000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 188 coordinates: [ 0.200021000000000, 0.527390310000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 189 coordinates: [ 0.222609690000000, 0.049979000000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 190 coordinates: [ 0.095065540000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 191 coordinates: [ 0.972609690000000, 0.700021000000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 192 coordinates: [ 0.049979000000000, 0.049979000000000, 0.777390310000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 193 coordinates: [ 0.799979000000000, 0.472609690000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 194 coordinates: [ 0.799979000000000, 0.700021000000000, 0.027390310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 195 coordinates: [ 0.200021000000000, 0.700021000000000, 0.972609690000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 196 coordinates: [ 0.200021000000000, 0.472609690000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 197 coordinates: [ 0.250000000000000, 0.250000000000000, 0.904934460000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 198 coordinates: [ 0.404934460000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 199 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 200 coordinates: [ 0.000000000000000, 0.500000000000000, 0.845065540000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 201 coordinates: [ 0.250000000000000, 0.095065540000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 202 coordinates: [ 0.972609690000000, 0.299979000000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 203 coordinates: [ 0.027390310000000, 0.299979000000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 204 coordinates: [ 0.450021000000000, 0.277390310000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 205 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 206 coordinates: [ 0.049979000000000, 0.222609690000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 207 coordinates: [ 0.450021000000000, 0.450021000000000, 0.777390310000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 208 coordinates: [ 0.222609690000000, 0.450021000000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 209 coordinates: [ 0.450021000000000, 0.049979000000000, 0.722609690000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 210 coordinates: [ 0.250000000000000, 0.250000000000000, 0.595065540000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 211 coordinates: [ 0.049979000000000, 0.777390310000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 212 coordinates: [ 0.277390310000000, 0.549979000000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 213 coordinates: [ 0.845065540000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 214 coordinates: [ 0.027390310000000, 0.200021000000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 215 coordinates: [ 0.049979000000000, 0.950021000000000, 0.222609690000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 216 coordinates: [ 0.450021000000000, 0.722609690000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 217 coordinates: [ 0.799979000000000, 0.799979000000000, 0.472609690000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 218 coordinates: [ 0.799979000000000, 0.027390310000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 219 coordinates: [ 0.250000000000000, 0.904934460000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 220 coordinates: [ 0.000000000000000, 0.154934460000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 221 coordinates: [ 0.000000000000000, 0.000000000000000, 0.654934460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 222 coordinates: [ 0.200021000000000, 0.799979000000000, 0.527390310000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 223 coordinates: [ 0.277390310000000, 0.950021000000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 224 coordinates: [ 0.154934460000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 225 coordinates: [ 0.000000000000000, 0.845065540000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 226 coordinates: [ 0.200021000000000, 0.027390310000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 227 coordinates: [ 0.222609690000000, 0.549979000000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 228 coordinates: [ 0.095065540000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 229 coordinates: [ 0.972609690000000, 0.200021000000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 230 coordinates: [ 0.049979000000000, 0.549979000000000, 0.277390310000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 231 coordinates: [ 0.799979000000000, 0.972609690000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 232 coordinates: [ 0.799979000000000, 0.200021000000000, 0.527390310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 233 coordinates: [ 0.200021000000000, 0.200021000000000, 0.472609690000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 234 coordinates: [ 0.200021000000000, 0.972609690000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 235 coordinates: [ 0.250000000000000, 0.750000000000000, 0.404934460000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 236 coordinates: [ 0.404934460000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 237 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 238 coordinates: [ 0.000000000000000, 0.000000000000000, 0.345065540000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 239 coordinates: [ 0.250000000000000, 0.595065540000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 240 coordinates: [ 0.972609690000000, 0.799979000000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 241 coordinates: [ 0.027390310000000, 0.799979000000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 242 coordinates: [ 0.450021000000000, 0.777390310000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 243 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 244 coordinates: [ 0.049979000000000, 0.722609690000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 245 coordinates: [ 0.450021000000000, 0.950021000000000, 0.277390310000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 246 coordinates: [ 0.222609690000000, 0.950021000000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 247 coordinates: [ 0.450021000000000, 0.549979000000000, 0.222609690000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 248 coordinates: [ 0.250000000000000, 0.750000000000000, 0.095065540000000 ] mass: 15.999400 reduced_to: 134supercell: lattice: - [ 15.494834660000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.494834660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.494834660000000 ] # c points: - symbol: Hg # 1 coordinates: [ 0.328774020000000, 0.828774020000000, 0.671225980000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 2 coordinates: [ 0.171225980000000, 0.828774020000000, 0.828774020000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 3 coordinates: [ 0.921225980000000, 0.078774020000000, 0.921225980000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 4 coordinates: [ 0.078774020000000, 0.078774020000000, 0.078774020000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 5 coordinates: [ 0.921225980000000, 0.921225980000000, 0.078774020000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 6 coordinates: [ 0.328774020000000, 0.671225980000000, 0.828774020000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 7 coordinates: [ 0.078774020000000, 0.921225980000000, 0.921225980000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 8 coordinates: [ 0.171225980000000, 0.671225980000000, 0.671225980000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 9 coordinates: [ 0.328774020000000, 0.328774020000000, 0.171225980000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 10 coordinates: [ 0.171225980000000, 0.328774020000000, 0.328774020000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 11 coordinates: [ 0.921225980000000, 0.578774020000000, 0.421225980000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 12 coordinates: [ 0.078774020000000, 0.578774020000000, 0.578774020000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 13 coordinates: [ 0.921225980000000, 0.421225980000000, 0.578774020000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 14 coordinates: [ 0.328774020000000, 0.171225980000000, 0.328774020000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 15 coordinates: [ 0.078774020000000, 0.421225980000000, 0.421225980000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 16 coordinates: [ 0.171225980000000, 0.171225980000000, 0.171225980000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 17 coordinates: [ 0.828774020000000, 0.828774020000000, 0.171225980000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 18 coordinates: [ 0.671225980000000, 0.828774020000000, 0.328774020000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 19 coordinates: [ 0.421225980000000, 0.078774020000000, 0.421225980000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 20 coordinates: [ 0.578774020000000, 0.078774020000000, 0.578774020000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 21 coordinates: [ 0.421225980000000, 0.921225980000000, 0.578774020000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 22 coordinates: [ 0.828774020000000, 0.671225980000000, 0.328774020000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 23 coordinates: [ 0.578774020000000, 0.921225980000000, 0.421225980000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 24 coordinates: [ 0.671225980000000, 0.671225980000000, 0.171225980000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 25 coordinates: [ 0.828774020000000, 0.328774020000000, 0.671225980000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 26 coordinates: [ 0.671225980000000, 0.328774020000000, 0.828774020000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 27 coordinates: [ 0.421225980000000, 0.578774020000000, 0.921225980000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 28 coordinates: [ 0.578774020000000, 0.578774020000000, 0.078774020000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 29 coordinates: [ 0.421225980000000, 0.421225980000000, 0.078774020000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 30 coordinates: [ 0.828774020000000, 0.171225980000000, 0.828774020000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 31 coordinates: [ 0.578774020000000, 0.421225980000000, 0.921225980000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 32 coordinates: [ 0.671225980000000, 0.171225980000000, 0.671225980000000 ] mass: 200.590000 reduced_to: 8 - symbol: Pb # 33 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 34 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 34 - symbol: Pb # 35 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 36 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 36 - symbol: Pb # 37 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 38 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 34 - symbol: Pb # 39 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 40 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 36 - symbol: Pb # 41 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 42 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 34 - symbol: Pb # 43 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 44 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 36 - symbol: Pb # 45 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 46 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 34 - symbol: Pb # 47 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 48 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 36 - symbol: N # 49 coordinates: [ 0.500000000000000, 0.500000000000000, 0.736840390000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.750000000000000, 0.250000000000000, 0.013159610000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 51 coordinates: [ 0.750000000000000, 0.486840390000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 52 coordinates: [ 0.750000000000000, 0.013159610000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 53 coordinates: [ 0.750000000000000, 0.250000000000000, 0.486840390000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 54 coordinates: [ 0.736840390000000, 0.500000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 55 coordinates: [ 0.986840390000000, 0.250000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 56 coordinates: [ 0.500000000000000, 0.500000000000000, 0.263159610000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 57 coordinates: [ 0.500000000000000, 0.263159610000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 58 coordinates: [ 0.513159610000000, 0.250000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 59 coordinates: [ 0.263159610000000, 0.500000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 60 coordinates: [ 0.500000000000000, 0.736840390000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 60 - symbol: N # 61 coordinates: [ 0.500000000000000, 0.000000000000000, 0.236840390000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 62 coordinates: [ 0.750000000000000, 0.750000000000000, 0.513159610000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 63 coordinates: [ 0.750000000000000, 0.986840390000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 64 coordinates: [ 0.750000000000000, 0.513159610000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 65 coordinates: [ 0.750000000000000, 0.750000000000000, 0.986840390000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 66 coordinates: [ 0.736840390000000, 0.000000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 67 coordinates: [ 0.986840390000000, 0.750000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 68 coordinates: [ 0.500000000000000, 0.000000000000000, 0.763159610000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 69 coordinates: [ 0.500000000000000, 0.763159610000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 70 coordinates: [ 0.513159610000000, 0.750000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 71 coordinates: [ 0.263159610000000, 0.000000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 72 coordinates: [ 0.500000000000000, 0.236840390000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 60 - symbol: N # 73 coordinates: [ 0.000000000000000, 0.500000000000000, 0.236840390000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 74 coordinates: [ 0.250000000000000, 0.250000000000000, 0.513159610000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 75 coordinates: [ 0.250000000000000, 0.486840390000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 76 coordinates: [ 0.250000000000000, 0.013159610000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 77 coordinates: [ 0.250000000000000, 0.250000000000000, 0.986840390000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 78 coordinates: [ 0.236840390000000, 0.500000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 79 coordinates: [ 0.486840390000000, 0.250000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.763159610000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 81 coordinates: [ 0.000000000000000, 0.263159610000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 82 coordinates: [ 0.013159610000000, 0.250000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 83 coordinates: [ 0.763159610000000, 0.500000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 84 coordinates: [ 0.000000000000000, 0.736840390000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 60 - symbol: N # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.736840390000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 86 coordinates: [ 0.250000000000000, 0.750000000000000, 0.013159610000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 87 coordinates: [ 0.250000000000000, 0.986840390000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 88 coordinates: [ 0.250000000000000, 0.513159610000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 89 coordinates: [ 0.250000000000000, 0.750000000000000, 0.486840390000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 90 coordinates: [ 0.236840390000000, 0.000000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 91 coordinates: [ 0.486840390000000, 0.750000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 92 coordinates: [ 0.000000000000000, 0.000000000000000, 0.263159610000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 93 coordinates: [ 0.000000000000000, 0.763159610000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 94 coordinates: [ 0.013159610000000, 0.750000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 95 coordinates: [ 0.763159610000000, 0.000000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 96 coordinates: [ 0.000000000000000, 0.236840390000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 60 - symbol: O # 97 coordinates: [ 0.549979000000000, 0.277390310000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.777390310000000, 0.049979000000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.345065540000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.527390310000000, 0.700021000000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.549979000000000, 0.450021000000000, 0.222609690000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.950021000000000, 0.222609690000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.299979000000000, 0.299979000000000, 0.472609690000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.299979000000000, 0.527390310000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.750000000000000, 0.404934460000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.500000000000000, 0.654934460000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.500000000000000, 0.500000000000000, 0.654934460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.700021000000000, 0.299979000000000, 0.527390310000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.777390310000000, 0.450021000000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.654934460000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.500000000000000, 0.345065540000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.700021000000000, 0.527390310000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.722609690000000, 0.049979000000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.595065540000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.472609690000000, 0.700021000000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.549979000000000, 0.049979000000000, 0.277390310000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.299979000000000, 0.472609690000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.299979000000000, 0.700021000000000, 0.527390310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.700021000000000, 0.700021000000000, 0.472609690000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.700021000000000, 0.472609690000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.750000000000000, 0.250000000000000, 0.404934460000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.904934460000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.500000000000000, 0.500000000000000, 0.345065540000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.750000000000000, 0.095065540000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.472609690000000, 0.299979000000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.527390310000000, 0.299979000000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.950021000000000, 0.277390310000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.549979000000000, 0.222609690000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.950021000000000, 0.450021000000000, 0.277390310000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.722609690000000, 0.450021000000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.950021000000000, 0.049979000000000, 0.222609690000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.750000000000000, 0.250000000000000, 0.095065540000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.549979000000000, 0.777390310000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 136 coordinates: [ 0.777390310000000, 0.549979000000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 137 coordinates: [ 0.345065540000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 138 coordinates: [ 0.527390310000000, 0.200021000000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 139 coordinates: [ 0.549979000000000, 0.950021000000000, 0.722609690000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 140 coordinates: [ 0.950021000000000, 0.722609690000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 141 coordinates: [ 0.299979000000000, 0.799979000000000, 0.972609690000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 142 coordinates: [ 0.299979000000000, 0.027390310000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 143 coordinates: [ 0.750000000000000, 0.904934460000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 144 coordinates: [ 0.500000000000000, 0.154934460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 145 coordinates: [ 0.500000000000000, 0.000000000000000, 0.154934460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 146 coordinates: [ 0.700021000000000, 0.799979000000000, 0.027390310000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 147 coordinates: [ 0.777390310000000, 0.950021000000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 148 coordinates: [ 0.654934460000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 149 coordinates: [ 0.500000000000000, 0.845065540000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 150 coordinates: [ 0.700021000000000, 0.027390310000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 151 coordinates: [ 0.722609690000000, 0.549979000000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 152 coordinates: [ 0.595065540000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 153 coordinates: [ 0.472609690000000, 0.200021000000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 154 coordinates: [ 0.549979000000000, 0.549979000000000, 0.777390310000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 155 coordinates: [ 0.299979000000000, 0.972609690000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 156 coordinates: [ 0.299979000000000, 0.200021000000000, 0.027390310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 157 coordinates: [ 0.700021000000000, 0.200021000000000, 0.972609690000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 158 coordinates: [ 0.700021000000000, 0.972609690000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 159 coordinates: [ 0.750000000000000, 0.750000000000000, 0.904934460000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 160 coordinates: [ 0.904934460000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 161 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 162 coordinates: [ 0.500000000000000, 0.000000000000000, 0.845065540000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 163 coordinates: [ 0.750000000000000, 0.595065540000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 164 coordinates: [ 0.472609690000000, 0.799979000000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 165 coordinates: [ 0.527390310000000, 0.799979000000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 166 coordinates: [ 0.950021000000000, 0.777390310000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 167 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 168 coordinates: [ 0.549979000000000, 0.722609690000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 169 coordinates: [ 0.950021000000000, 0.950021000000000, 0.777390310000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 170 coordinates: [ 0.722609690000000, 0.950021000000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 171 coordinates: [ 0.950021000000000, 0.549979000000000, 0.722609690000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 172 coordinates: [ 0.750000000000000, 0.750000000000000, 0.595065540000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 173 coordinates: [ 0.049979000000000, 0.277390310000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 174 coordinates: [ 0.277390310000000, 0.049979000000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 175 coordinates: [ 0.845065540000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 176 coordinates: [ 0.027390310000000, 0.700021000000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 177 coordinates: [ 0.049979000000000, 0.450021000000000, 0.722609690000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 178 coordinates: [ 0.450021000000000, 0.222609690000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 179 coordinates: [ 0.799979000000000, 0.299979000000000, 0.972609690000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 180 coordinates: [ 0.799979000000000, 0.527390310000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 181 coordinates: [ 0.250000000000000, 0.404934460000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 182 coordinates: [ 0.000000000000000, 0.654934460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 183 coordinates: [ 0.000000000000000, 0.500000000000000, 0.154934460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 184 coordinates: [ 0.200021000000000, 0.299979000000000, 0.027390310000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 185 coordinates: [ 0.277390310000000, 0.450021000000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 186 coordinates: [ 0.154934460000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 187 coordinates: [ 0.000000000000000, 0.345065540000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 188 coordinates: [ 0.200021000000000, 0.527390310000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 189 coordinates: [ 0.222609690000000, 0.049979000000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 190 coordinates: [ 0.095065540000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 191 coordinates: [ 0.972609690000000, 0.700021000000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 192 coordinates: [ 0.049979000000000, 0.049979000000000, 0.777390310000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 193 coordinates: [ 0.799979000000000, 0.472609690000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 194 coordinates: [ 0.799979000000000, 0.700021000000000, 0.027390310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 195 coordinates: [ 0.200021000000000, 0.700021000000000, 0.972609690000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 196 coordinates: [ 0.200021000000000, 0.472609690000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 197 coordinates: [ 0.250000000000000, 0.250000000000000, 0.904934460000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 198 coordinates: [ 0.404934460000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 199 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 200 coordinates: [ 0.000000000000000, 0.500000000000000, 0.845065540000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 201 coordinates: [ 0.250000000000000, 0.095065540000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 202 coordinates: [ 0.972609690000000, 0.299979000000000, 0.799979000000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 203 coordinates: [ 0.027390310000000, 0.299979000000000, 0.200021000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 204 coordinates: [ 0.450021000000000, 0.277390310000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 205 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 206 coordinates: [ 0.049979000000000, 0.222609690000000, 0.950021000000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 207 coordinates: [ 0.450021000000000, 0.450021000000000, 0.777390310000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 208 coordinates: [ 0.222609690000000, 0.450021000000000, 0.549979000000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 209 coordinates: [ 0.450021000000000, 0.049979000000000, 0.722609690000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 210 coordinates: [ 0.250000000000000, 0.250000000000000, 0.595065540000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 211 coordinates: [ 0.049979000000000, 0.777390310000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 212 coordinates: [ 0.277390310000000, 0.549979000000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 213 coordinates: [ 0.845065540000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 214 coordinates: [ 0.027390310000000, 0.200021000000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 215 coordinates: [ 0.049979000000000, 0.950021000000000, 0.222609690000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 216 coordinates: [ 0.450021000000000, 0.722609690000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 217 coordinates: [ 0.799979000000000, 0.799979000000000, 0.472609690000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 218 coordinates: [ 0.799979000000000, 0.027390310000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 219 coordinates: [ 0.250000000000000, 0.904934460000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 220 coordinates: [ 0.000000000000000, 0.154934460000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 221 coordinates: [ 0.000000000000000, 0.000000000000000, 0.654934460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 222 coordinates: [ 0.200021000000000, 0.799979000000000, 0.527390310000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 223 coordinates: [ 0.277390310000000, 0.950021000000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 224 coordinates: [ 0.154934460000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 225 coordinates: [ 0.000000000000000, 0.845065540000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 226 coordinates: [ 0.200021000000000, 0.027390310000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 227 coordinates: [ 0.222609690000000, 0.549979000000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 228 coordinates: [ 0.095065540000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 229 coordinates: [ 0.972609690000000, 0.200021000000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 230 coordinates: [ 0.049979000000000, 0.549979000000000, 0.277390310000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 231 coordinates: [ 0.799979000000000, 0.972609690000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 232 coordinates: [ 0.799979000000000, 0.200021000000000, 0.527390310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 233 coordinates: [ 0.200021000000000, 0.200021000000000, 0.472609690000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 234 coordinates: [ 0.200021000000000, 0.972609690000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 235 coordinates: [ 0.250000000000000, 0.750000000000000, 0.404934460000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 236 coordinates: [ 0.404934460000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 237 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 238 coordinates: [ 0.000000000000000, 0.000000000000000, 0.345065540000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 239 coordinates: [ 0.250000000000000, 0.595065540000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 240 coordinates: [ 0.972609690000000, 0.799979000000000, 0.299979000000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 241 coordinates: [ 0.027390310000000, 0.799979000000000, 0.700021000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 242 coordinates: [ 0.450021000000000, 0.777390310000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 243 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 244 coordinates: [ 0.049979000000000, 0.722609690000000, 0.450021000000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 245 coordinates: [ 0.450021000000000, 0.950021000000000, 0.277390310000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 246 coordinates: [ 0.222609690000000, 0.950021000000000, 0.049979000000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 247 coordinates: [ 0.450021000000000, 0.549979000000000, 0.222609690000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 248 coordinates: [ 0.250000000000000, 0.750000000000000, 0.095065540000000 ] mass: 15.999400 reduced_to: 134displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1031114400000000, -0.0867087500000000, 0.0867087500000000 ] - [ 0.0058084100000000, -0.0014575800000000, -0.0071000800000000 ] - [ 0.0005492600000000, -0.0003702600000000, 0.0002389700000000 ] - [ -0.0002619500000000, -0.0003415900000000, -0.0003697900000000 ] - [ 0.0005387100000000, 0.0002450100000000, -0.0003889600000000 ] - [ -0.0065387000000000, 0.0014506900000000, -0.0014506900000000 ] - [ 0.0005908000000000, -0.0009048600000000, -0.0007063800000000 ] - [ 0.0058084100000000, 0.0071000800000000, 0.0014575800000000 ] - [ -0.0001716200000000, -0.0000348300000000, 0.0000348300000000 ] - [ 0.0000050900000000, 0.0000326200000000, -0.0000372900000000 ] - [ 0.0005492600000000, -0.0002389700000000, 0.0003702600000000 ] - [ 0.0005908000000000, 0.0007063800000000, 0.0009048600000000 ] - [ 0.0005387100000000, 0.0003889600000000, -0.0002450100000000 ] - [ -0.0004834600000000, 0.0004019700000000, -0.0004019700000000 ] - [ -0.0002619500000000, 0.0003697900000000, 0.0003415900000000 ] - [ 0.0000050900000000, 0.0000372900000000, -0.0000326200000000 ] - [ 0.0001446000000000, -0.0000337200000000, 0.0000210700000000 ] - [ 0.0004967900000000, -0.0004020300000000, -0.0005282500000000 ] - [ -0.0002291800000000, 0.0009042800000000, -0.0009042800000000 ] - [ 0.0005857600000000, 0.0007015000000000, 0.0002875300000000 ] - [ 0.0570252500000000, 0.0531407000000000, -0.0531407000000000 ] - [ 0.0001578600000000, -0.0000331700000000, -0.0000834400000000 ] - [ 0.0005857600000000, -0.0002875300000000, -0.0007015000000000 ] - [ 0.0001210000000000, 0.0000371700000000, 0.0000840000000000 ] - [ 0.0001446000000000, -0.0000210700000000, 0.0000337200000000 ] - [ 0.0001210000000000, -0.0000840000000000, -0.0000371700000000 ] - [ -0.0002340900000000, 0.0002944400000000, -0.0002944400000000 ] - [ -0.0002622900000000, -0.0003933000000000, -0.0002380200000000 ] - [ 0.0001074500000000, 0.0002440500000000, -0.0002440500000000 ] - [ 0.0001578600000000, 0.0000834400000000, 0.0000331700000000 ] - [ -0.0002622900000000, 0.0002380200000000, 0.0003933000000000 ] - [ 0.0004967900000000, 0.0005282500000000, 0.0004020300000000 ] - [ 0.0002452900000000, 0.0000190300000000, -0.0000190300000000 ] - [ 0.0022031300000000, -0.0021882800000000, -0.0012744700000000 ] - [ -0.0014292400000000, -0.0002378100000000, -0.0000841300000000 ] - [ 0.0000481000000000, 0.0000799500000000, -0.0002385100000000 ] - [ 0.0014689900000000, -0.0003987300000000, 0.0003987300000000 ] - [ 0.0000481000000000, 0.0002385100000000, -0.0000799500000000 ] - [ -0.0014292400000000, 0.0000841300000000, 0.0002378100000000 ] - [ 0.0022031300000000, 0.0012744700000000, 0.0021882800000000 ] - [ -0.0008134700000000, 0.0003482300000000, 0.0000793800000000 ] - [ 0.0000843500000000, 0.0002494100000000, -0.0003727400000000 ] - [ 0.0010552000000000, 0.0002560600000000, -0.0002560600000000 ] - [ 0.0000843500000000, 0.0003727400000000, -0.0002494100000000 ] - [ -0.0008134700000000, -0.0000793800000000, -0.0003482300000000 ] - [ -0.0000102200000000, -0.0007129500000000, 0.0011764400000000 ] - [ 0.0004387400000000, 0.0001320900000000, -0.0001320900000000 ] - [ -0.0000102200000000, -0.0011764400000000, 0.0007129500000000 ] - [ -0.0008086000000000, -0.0008896800000000, 0.0004805100000000 ] - [ 0.0001133700000000, 0.0001207800000000, 0.0000214000000000 ] - [ 0.0001133700000000, -0.0000214000000000, -0.0001207800000000 ] - [ 0.0000639800000000, 0.0001482900000000, 0.0000818300000000 ] - [ 0.0000639800000000, -0.0000818300000000, -0.0001482900000000 ] - [ 0.0005388100000000, -0.0002143700000000, -0.0002169200000000 ] - [ 0.0001109300000000, 0.0000416300000000, -0.0000416300000000 ] - [ -0.0000394800000000, 0.0000589200000000, -0.0000897400000000 ] - [ -0.0000126300000000, 0.0004357700000000, 0.0000297800000000 ] - [ 0.0000014800000000, -0.0000042900000000, 0.0000042900000000 ] - [ -0.0007609000000000, 0.0000763700000000, -0.0001019600000000 ] - [ -0.0000586300000000, -0.0015111800000000, -0.0009247000000000 ] - [ -0.0000126300000000, -0.0000297800000000, -0.0004357700000000 ] - [ 0.0004163800000000, 0.0004608600000000, -0.0002304700000000 ] - [ 0.0004163800000000, 0.0002304700000000, -0.0004608600000000 ] - [ 0.0003432400000000, -0.0003610000000000, 0.0003784700000000 ] - [ 0.0003432400000000, -0.0003784700000000, 0.0003610000000000 ] - [ 0.0005388100000000, 0.0002169200000000, 0.0002143700000000 ] - [ 0.0014977200000000, 0.0004042300000000, -0.0004042300000000 ] - [ -0.0000586300000000, 0.0009247000000000, 0.0015111800000000 ] - [ -0.0008086000000000, -0.0004805100000000, 0.0008896800000000 ] - [ 0.0102588100000000, -0.0015101700000000, 0.0015101700000000 ] - [ -0.0007609000000000, 0.0001019600000000, -0.0000763700000000 ] - [ -0.0000394800000000, 0.0000897400000000, -0.0000589200000000 ] - [ 0.0000983800000000, 0.0001019900000000, -0.0000473600000000 ] - [ 0.0000158900000000, 0.0000237300000000, 0.0002219200000000 ] - [ -0.0003087900000000, 0.0008602400000000, 0.0003983300000000 ] - [ -0.0047454900000000, -0.0038771200000000, -0.0056509600000000 ] - [ -0.0000926300000000, 0.0001014100000000, -0.0001105600000000 ] - [ -0.0000761500000000, -0.0000007900000000, 0.0000007900000000 ] - [ -0.0003915500000000, 0.0001023900000000, -0.0000963900000000 ] - [ 0.0000256600000000, -0.0000559800000000, -0.0003165000000000 ] - [ 0.0000983800000000, 0.0000473600000000, -0.0001019900000000 ] - [ 0.0002477700000000, 0.0000202700000000, 0.0000159900000000 ] - [ 0.0002679100000000, -0.0000505200000000, 0.0000505200000000 ] - [ 0.0000256600000000, 0.0003165000000000, 0.0000559800000000 ] - [ 0.0002441600000000, 0.0001981200000000, 0.0002549500000000 ] - [ -0.0003087900000000, -0.0003983300000000, -0.0008602400000000 ] - [ 0.0000158900000000, -0.0002219200000000, -0.0000237300000000 ] - [ -0.0000926300000000, 0.0001105600000000, -0.0001014100000000 ] - [ -0.0047454900000000, 0.0056509600000000, 0.0038771200000000 ] - [ -0.0029298000000000, -0.0006657200000000, 0.0006657200000000 ] - [ -0.0003915500000000, 0.0000963900000000, -0.0001023900000000 ] - [ 0.0001180900000000, -0.0001182800000000, -0.0000394000000000 ] - [ 0.0002441600000000, -0.0002549500000000, -0.0001981200000000 ] - [ 0.0002477700000000, -0.0000159900000000, -0.0000202700000000 ] - [ 0.0007371300000000, 0.0000472000000000, -0.0000472000000000 ] - [ 0.0001180900000000, 0.0000394000000000, 0.0001182800000000 ] - [ -0.0002602500000000, -0.0006552500000000, -0.0002648300000000 ] - [ -0.0009125300000000, -0.0005016900000000, -0.0004799200000000 ] - [ -0.0004023300000000, 0.0000409000000000, 0.0000693600000000 ] - [ -0.0003981000000000, 0.0003231700000000, -0.0000967300000000 ] - [ -0.0002602500000000, 0.0002648300000000, 0.0006552500000000 ] - [ 0.0001949000000000, 0.0005921700000000, -0.0002227300000000 ] - [ -0.0001855200000000, -0.0003258500000000, 0.0005212600000000 ] - [ 0.0000130700000000, -0.0011228000000000, 0.0002481600000000 ] - [ -0.0000613000000000, 0.0009291200000000, 0.0000715300000000 ] - [ 0.0001600400000000, 0.0017167800000000, 0.0002458900000000 ] - [ 0.0001608300000000, 0.0003961600000000, 0.0005664800000000 ] - [ 0.0001641700000000, -0.0002943600000000, -0.0005252900000000 ] - [ -0.0009125300000000, 0.0004799200000000, 0.0005016900000000 ] - [ 0.0005037400000000, 0.0002857500000000, 0.0002745300000000 ] - [ 0.0000459300000000, -0.0012408200000000, -0.0000382400000000 ] - [ 0.0002000100000000, -0.0005931600000000, -0.0002146100000000 ] - [ 0.0002267800000000, -0.0002551500000000, 0.0002551500000000 ] - [ -0.0009062700000000, 0.0000042800000000, -0.0000042800000000 ] - [ -0.0018181100000000, 0.0009122300000000, -0.0018360100000000 ] - [ -0.0002193500000000, -0.0002590800000000, -0.0003650700000000 ] - [ -0.0001625100000000, 0.0005835400000000, -0.0002186100000000 ] - [ 0.0022401500000000, -0.0007875400000000, 0.0003130700000000 ] - [ -0.0000880700000000, 0.0001057800000000, 0.0006628600000000 ] - [ 0.0000405200000000, 0.0007780400000000, 0.0000443100000000 ] - [ -0.0000234900000000, 0.0000458800000000, 0.0010149700000000 ] - [ 0.0008359600000000, -0.0000319500000000, 0.0000319500000000 ] - [ 0.0377463800000000, 0.0303472100000000, -0.0303472100000000 ] - [ 0.0000827700000000, -0.0000595600000000, -0.0008516700000000 ] - [ -0.0000234900000000, -0.0010149700000000, -0.0000458800000000 ] - [ 0.0006144100000000, -0.0003371700000000, -0.0002321500000000 ] - [ -0.0004456800000000, -0.0003344400000000, 0.0002679900000000 ] - [ 0.0001808400000000, -0.0006303100000000, 0.0002301800000000 ] - [ -0.0008999500000000, 0.0008436200000000, 0.0008090100000000 ] - [ -0.0002193500000000, 0.0003650700000000, 0.0002590800000000 ] - [ 0.0001949000000000, 0.0002227300000000, -0.0005921700000000 ] - [ 0.0005230900000000, 0.0002820900000000, -0.0002820900000000 ] - [ 0.0001808400000000, -0.0002301800000000, 0.0006303100000000 ] - [ -0.0000613000000000, -0.0000715300000000, -0.0009291200000000 ] - [ 0.0000106200000000, -0.0002571200000000, 0.0004354700000000 ] - [ -0.0009514600000000, -0.0001240300000000, -0.0001386100000000 ] - [ -0.0004023300000000, -0.0000693600000000, -0.0000409000000000 ] - [ -0.0003981000000000, 0.0000967300000000, -0.0003231700000000 ] - [ 0.0000106200000000, -0.0004354700000000, 0.0002571200000000 ] - [ 0.0000250400000000, 0.0007523100000000, -0.0003597100000000 ] - [ 0.0000130700000000, -0.0002481600000000, 0.0011228000000000 ] - [ -0.0001855200000000, -0.0005212600000000, 0.0003258500000000 ] - [ -0.0003130400000000, 0.0007488500000000, 0.0002074500000000 ] - [ 0.0000827700000000, 0.0008516700000000, 0.0000595600000000 ] - [ 0.0000459300000000, 0.0000382400000000, 0.0012408200000000 ] - [ 0.0000405200000000, -0.0000443100000000, -0.0007780400000000 ] - [ -0.0009514600000000, 0.0001386100000000, 0.0001240300000000 ] - [ 0.0005037400000000, -0.0002745300000000, -0.0002857500000000 ] - [ 0.0001608300000000, -0.0005664800000000, -0.0003961600000000 ] - [ -0.0000880700000000, -0.0006628600000000, -0.0001057800000000 ] - [ 0.0004622400000000, -0.0002536100000000, 0.0002536100000000 ] - [ -0.0056959500000000, -0.0005503100000000, 0.0005503100000000 ] - [ 0.0006144100000000, 0.0002321500000000, 0.0003371700000000 ] - [ 0.0000152200000000, 0.0002908800000000, -0.0007384700000000 ] - [ 0.0022401500000000, -0.0003130700000000, 0.0007875400000000 ] - [ -0.0001625100000000, 0.0002186100000000, -0.0005835400000000 ] - [ 0.0002000100000000, 0.0002146100000000, 0.0005931600000000 ] - [ 0.0001641700000000, 0.0005252900000000, 0.0002943600000000 ] - [ -0.0003276200000000, 0.0002446700000000, 0.0006554100000000 ] - [ -0.0002297200000000, -0.0000872200000000, 0.0000872200000000 ] - [ 0.0004011100000000, -0.0002733000000000, 0.0002733000000000 ] - [ 0.0001600400000000, -0.0002458900000000, -0.0017167800000000 ] - [ -0.0003276200000000, -0.0006554100000000, -0.0002446700000000 ] - [ -0.0018181100000000, 0.0018360100000000, -0.0009122300000000 ] - [ -0.0004456800000000, -0.0002679900000000, 0.0003344400000000 ] - [ 0.0000994200000000, -0.0007900500000000, 0.0004691800000000 ] - [ -0.0008999500000000, -0.0008090100000000, -0.0008436200000000 ] - [ 0.0000152200000000, 0.0007384700000000, -0.0002908800000000 ] - [ 0.0000250400000000, 0.0003597100000000, -0.0007523100000000 ] - [ 0.0002023400000000, 0.0002120000000000, -0.0002120000000000 ] - [ 0.0000994200000000, -0.0004691800000000, 0.0007900500000000 ] - [ -0.0003130400000000, -0.0002074500000000, -0.0007488500000000 ] - [ -0.0003913300000000, -0.0006154000000000, -0.0003935100000000 ] - [ 0.0008645000000000, -0.0006952300000000, 0.0005313600000000 ] - [ -0.0011078900000000, -0.0000309600000000, 0.0000309600000000 ] - [ -0.0012346000000000, 0.0002590100000000, -0.0002590100000000 ] - [ -0.0004893200000000, 0.0001969000000000, 0.0007967500000000 ] - [ 0.0003001000000000, 0.0003754900000000, -0.0002460200000000 ] - [ -0.0003894500000000, -0.0003386400000000, 0.0006240600000000 ] - [ -0.0003894500000000, -0.0006240600000000, 0.0003386400000000 ] - [ 0.0000892000000000, 0.0003363500000000, -0.0001746200000000 ] - [ -0.0000146500000000, 0.0006999100000000, -0.0000595300000000 ] - [ -0.0000688000000000, -0.0000706800000000, 0.0009410400000000 ] - [ 0.0003401700000000, -0.0003512100000000, -0.0005703000000000 ] - [ -0.0006035000000000, 0.0002086300000000, 0.0003451800000000 ] - [ 0.0009608100000000, -0.0000130200000000, 0.0000130200000000 ] - [ -0.0000688000000000, -0.0009410400000000, 0.0000706800000000 ] - [ 0.0006687000000000, -0.0012700400000000, -0.0004007500000000 ] - [ 0.0009850200000000, -0.0002405300000000, 0.0005759600000000 ] - [ -0.0010877300000000, -0.0000248900000000, -0.0000364700000000 ] - [ 0.0004964500000000, 0.0002550500000000, 0.0002994400000000 ] - [ -0.0006137500000000, -0.0002328400000000, -0.0008385300000000 ] - [ -0.0006209300000000, 0.0008114800000000, -0.0005699200000000 ] - [ -0.0006209300000000, 0.0005699200000000, -0.0008114800000000 ] - [ 0.0006687000000000, 0.0004007500000000, 0.0012700400000000 ] - [ 0.0003401700000000, 0.0005703000000000, 0.0003512100000000 ] - [ 0.0001288900000000, -0.0001029000000000, 0.0009872500000000 ] - [ 0.0011881200000000, -0.0000223100000000, 0.0000058500000000 ] - [ -0.0005081800000000, 0.0003250900000000, 0.0003215000000000 ] - [ -0.0000146500000000, 0.0000595300000000, -0.0006999100000000 ] - [ 0.0010124000000000, 0.0011122500000000, 0.0012113900000000 ] - [ 0.0004964500000000, -0.0002994400000000, -0.0002550500000000 ] - [ -0.0006725800000000, -0.0003283600000000, 0.0003283600000000 ] - [ 0.0003715800000000, -0.0006466600000000, 0.0003149300000000 ] - [ -0.0054667500000000, -0.0018965000000000, 0.0018965000000000 ] - [ -0.0003636700000000, 0.0006005500000000, 0.0003524600000000 ] - [ 0.0010052300000000, 0.0006198100000000, -0.0010428200000000 ] - [ 0.0009399900000000, 0.0001764600000000, -0.0004603100000000 ] - [ 0.0003619800000000, -0.0007334700000000, -0.0000419700000000 ] - [ 0.0000993300000000, 0.0000521200000000, -0.0010704000000000 ] - [ -0.0004893200000000, -0.0007967500000000, -0.0001969000000000 ] - [ -0.0006035000000000, -0.0003451800000000, -0.0002086300000000 ] - [ -0.0014556100000000, 0.0000356600000000, -0.0000356600000000 ] - [ -0.0006692900000000, 0.0002654000000000, -0.0002654000000000 ] - [ -0.0003913300000000, 0.0003935100000000, 0.0006154000000000 ] - [ 0.0010052300000000, 0.0010428200000000, -0.0006198100000000 ] - [ -0.0006916300000000, -0.0005352200000000, 0.0007640200000000 ] - [ -0.0006916300000000, -0.0007640200000000, 0.0005352200000000 ] - [ 0.0000993300000000, 0.0010704000000000, -0.0000521200000000 ] - [ -0.0001026300000000, 0.0008864600000000, -0.0001150700000000 ] - [ -0.0001077900000000, -0.0000207600000000, 0.0007076600000000 ] - [ 0.0031758400000000, -0.0026423000000000, -0.0024679600000000 ] - [ 0.0008645000000000, -0.0005313600000000, 0.0006952300000000 ] - [ 0.0029566400000000, 0.0005813800000000, -0.0005813800000000 ] - [ -0.0001077900000000, -0.0007076600000000, 0.0000207600000000 ] - [ 0.0003701600000000, -0.0004708700000000, -0.0002081700000000 ] - [ 0.0009850200000000, -0.0005759600000000, 0.0002405300000000 ] - [ -0.0010877300000000, 0.0000364700000000, 0.0000248900000000 ] - [ 0.0005104100000000, 0.0002657100000000, 0.0002209300000000 ] - [ -0.0003636700000000, -0.0003524600000000, -0.0006005500000000 ] - [ -0.0004054500000000, 0.0005527600000000, -0.0002356200000000 ] - [ -0.0004054500000000, 0.0002356200000000, -0.0005527600000000 ] - [ 0.0003701600000000, 0.0002081700000000, 0.0004708700000000 ] - [ 0.0031758400000000, 0.0024679600000000, 0.0026423000000000 ] - [ 0.0010124000000000, -0.0012113900000000, -0.0011122500000000 ] - [ 0.0011881200000000, -0.0000058500000000, 0.0000223100000000 ] - [ -0.0005081800000000, -0.0003215000000000, -0.0003250900000000 ] - [ -0.0001026300000000, 0.0001150700000000, -0.0008864600000000 ] - [ 0.0001288900000000, -0.0009872500000000, 0.0001029000000000 ] - [ 0.0005104100000000, -0.0002209300000000, -0.0002657100000000 ] - [ -0.0014864500000000, -0.0006462700000000, 0.0006462700000000 ] - [ 0.0003619800000000, 0.0000419700000000, 0.0007334700000000 ] - [ 0.0005786000000000, -0.0005047400000000, 0.0005047400000000 ] - [ -0.0006137500000000, 0.0008385300000000, 0.0002328400000000 ] - [ 0.0003001000000000, 0.0002460200000000, -0.0003754900000000 ] - [ 0.0009399900000000, 0.0004603100000000, -0.0001764600000000 ] - [ 0.0003715800000000, -0.0003149300000000, 0.0006466600000000 ] - [ 0.0000892000000000, 0.0001746200000000, -0.0003363500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1030258600000000, 0.0863250700000000, -0.0863250700000000 ] - [ -0.0055760900000000, 0.0011683300000000, 0.0069134800000000 ] - [ -0.0002943600000000, 0.0001166000000000, 0.0000148500000000 ] - [ 0.0000090000000000, 0.0000882700000000, 0.0001167700000000 ] - [ -0.0002838100000000, 0.0000088600000000, 0.0001356600000000 ] - [ 0.0062365200000000, -0.0011750200000000, 0.0011750200000000 ] - [ -0.0008415600000000, 0.0011624300000000, 0.0009553700000000 ] - [ -0.0055760900000000, -0.0069134800000000, -0.0011683300000000 ] - [ -0.0000807200000000, -0.0002175000000000, 0.0002175000000000 ] - [ 0.0002468800000000, -0.0002844800000000, -0.0002140400000000 ] - [ -0.0002943600000000, -0.0000148500000000, -0.0001166000000000 ] - [ -0.0008415600000000, -0.0009553700000000, -0.0011624300000000 ] - [ -0.0002838100000000, -0.0001356600000000, -0.0000088600000000 ] - [ 0.0002334800000000, -0.0001536600000000, 0.0001536600000000 ] - [ 0.0000090000000000, -0.0001167700000000, -0.0000882700000000 ] - [ 0.0002468800000000, 0.0002140400000000, 0.0002844800000000 ] - [ -0.0003949300000000, -0.0002167900000000, 0.0002312100000000 ] - [ -0.0002483100000000, 0.0001531300000000, 0.0002791500000000 ] - [ 0.0004930800000000, -0.0011631600000000, 0.0011631600000000 ] - [ -0.0008468500000000, -0.0009605300000000, -0.0005557300000000 ] - [ -0.0562362400000000, -0.0515689600000000, 0.0515689600000000 ] - [ -0.0004083400000000, 0.0002842300000000, -0.0001685100000000 ] - [ -0.0008468500000000, 0.0005557300000000, 0.0009605300000000 ] - [ 0.0001305500000000, 0.0002140900000000, 0.0001688000000000 ] - [ -0.0003949300000000, -0.0002312100000000, 0.0002167900000000 ] - [ 0.0001305500000000, -0.0001688000000000, -0.0002140900000000 ] - [ 0.0004881400000000, -0.0005486000000000, 0.0005486000000000 ] - [ 0.0000086900000000, 0.0001383000000000, -0.0000141900000000 ] - [ 0.0001448600000000, 0.0000081200000000, -0.0000081200000000 ] - [ -0.0004083400000000, 0.0001685100000000, -0.0002842300000000 ] - [ 0.0000086900000000, 0.0000141900000000, -0.0001383000000000 ] - [ -0.0002483100000000, -0.0002791500000000, -0.0001531300000000 ] - [ -0.0002442700000000, -0.0000207500000000, 0.0000207500000000 ] - [ -0.0021770400000000, 0.0021648400000000, 0.0012508900000000 ] - [ 0.0014227400000000, 0.0002381200000000, 0.0000833000000000 ] - [ -0.0000496300000000, -0.0000844700000000, 0.0002371300000000 ] - [ -0.0014655400000000, 0.0004010100000000, -0.0004010100000000 ] - [ -0.0000496300000000, -0.0002371300000000, 0.0000844700000000 ] - [ 0.0014227400000000, -0.0000833000000000, -0.0002381200000000 ] - [ -0.0021770400000000, -0.0012508900000000, -0.0021648400000000 ] - [ 0.0008083700000000, -0.0003531500000000, -0.0000819900000000 ] - [ -0.0000828700000000, -0.0002480200000000, 0.0003727900000000 ] - [ -0.0010491000000000, -0.0002561300000000, 0.0002561300000000 ] - [ -0.0000828700000000, -0.0003727900000000, 0.0002480200000000 ] - [ 0.0008083700000000, 0.0000819900000000, 0.0003531500000000 ] - [ 0.0000134300000000, 0.0007150000000000, -0.0011798700000000 ] - [ -0.0004395600000000, -0.0001317600000000, 0.0001317600000000 ] - [ 0.0000134300000000, 0.0011798700000000, -0.0007150000000000 ] - [ 0.0007977100000000, 0.0008782400000000, -0.0005491400000000 ] - [ -0.0001133300000000, -0.0001206100000000, 0.0000491900000000 ] - [ -0.0001133300000000, -0.0000491900000000, 0.0001206100000000 ] - [ -0.0000633300000000, -0.0000785900000000, -0.0000814400000000 ] - [ -0.0000633300000000, 0.0000814400000000, 0.0000785900000000 ] - [ -0.0006048300000000, 0.0002112000000000, 0.0002138400000000 ] - [ -0.0001793500000000, -0.0000421600000000, 0.0000421600000000 ] - [ 0.0000393700000000, -0.0000590600000000, 0.0001593300000000 ] - [ 0.0000130800000000, -0.0003709400000000, -0.0000304200000000 ] - [ 0.0000667700000000, 0.0000044400000000, -0.0000044400000000 ] - [ 0.0008280700000000, -0.0000752900000000, 0.0001009000000000 ] - [ 0.0000460900000000, 0.0014404100000000, 0.0008980500000000 ] - [ 0.0000130800000000, 0.0000304200000000, 0.0003709400000000 ] - [ -0.0004135200000000, -0.0004573600000000, 0.0002932100000000 ] - [ -0.0004135200000000, -0.0002932100000000, 0.0004573600000000 ] - [ -0.0003405900000000, 0.0004248100000000, -0.0003754300000000 ] - [ -0.0003405900000000, 0.0003754300000000, -0.0004248100000000 ] - [ -0.0006048300000000, -0.0002138400000000, -0.0002112000000000 ] - [ -0.0015622200000000, -0.0004149700000000, 0.0004149700000000 ] - [ 0.0000460900000000, -0.0008980500000000, -0.0014404100000000 ] - [ 0.0007977100000000, 0.0005491400000000, -0.0008782400000000 ] - [ -0.0100032600000000, 0.0014650500000000, -0.0014650500000000 ] - [ 0.0008280700000000, -0.0001009000000000, 0.0000752900000000 ] - [ 0.0000393700000000, -0.0001593300000000, 0.0000590600000000 ] - [ -0.0000982500000000, -0.0001015300000000, -0.0000226800000000 ] - [ -0.0000167800000000, -0.0000246100000000, -0.0001537900000000 ] - [ 0.0003050600000000, -0.0009275600000000, -0.0003933600000000 ] - [ 0.0048046400000000, 0.0039427700000000, 0.0057020400000000 ] - [ 0.0000926900000000, -0.0001013400000000, 0.0000411100000000 ] - [ 0.0000041600000000, 0.0000009900000000, -0.0000009900000000 ] - [ 0.0003204000000000, -0.0001024200000000, 0.0000964200000000 ] - [ -0.0000245400000000, 0.0000549700000000, 0.0003860900000000 ] - [ -0.0000982500000000, 0.0000226800000000, 0.0001015300000000 ] - [ -0.0001763500000000, -0.0000204100000000, -0.0000162600000000 ] - [ -0.0001967100000000, 0.0000486100000000, -0.0000486100000000 ] - [ -0.0000245400000000, -0.0003860900000000, -0.0000549700000000 ] - [ -0.0002437900000000, -0.0001965600000000, -0.0003217100000000 ] - [ 0.0003050600000000, 0.0003933600000000, 0.0009275600000000 ] - [ -0.0000167800000000, 0.0001537900000000, 0.0000246100000000 ] - [ 0.0000926900000000, -0.0000411100000000, 0.0001013400000000 ] - [ 0.0048046400000000, -0.0057020400000000, -0.0039427700000000 ] - [ 0.0028815500000000, 0.0006713900000000, -0.0006713900000000 ] - [ 0.0003204000000000, -0.0000964200000000, 0.0001024200000000 ] - [ -0.0001178800000000, 0.0001177800000000, 0.0001099700000000 ] - [ -0.0002437900000000, 0.0003217100000000, 0.0001965600000000 ] - [ -0.0001763500000000, 0.0000162600000000, 0.0000204100000000 ] - [ -0.0006698700000000, -0.0000443400000000, 0.0000443400000000 ] - [ -0.0001178800000000, -0.0001099700000000, -0.0001177800000000 ] - [ -0.0003070400000000, -0.0005419700000000, -0.0003030600000000 ] - [ -0.0002881900000000, -0.0000685700000000, -0.0000905200000000 ] - [ -0.0014717200000000, -0.0000410400000000, -0.0000688000000000 ] - [ -0.0008017300000000, 0.0002455900000000, -0.0004720900000000 ] - [ -0.0003070400000000, 0.0003030600000000, 0.0005419700000000 ] - [ 0.0003728900000000, 0.0006065900000000, -0.0003454400000000 ] - [ -0.0003829500000000, -0.0002420500000000, 0.0006787300000000 ] - [ -0.0005786800000000, -0.0000777600000000, 0.0003184800000000 ] - [ 0.0000614000000000, 0.0009457600000000, -0.0000720100000000 ] - [ -0.0001583200000000, 0.0001548200000000, -0.0002387300000000 ] - [ -0.0001585700000000, -0.0003914900000000, 0.0013072300000000 ] - [ 0.0004039000000000, -0.0002730500000000, -0.0006737100000000 ] - [ -0.0002881900000000, 0.0000905200000000, 0.0000685700000000 ] - [ 0.0013682300000000, -0.0002813000000000, -0.0002704800000000 ] - [ -0.0000461500000000, -0.0006327000000000, 0.0000384000000000 ] - [ 0.0003678100000000, -0.0006052200000000, -0.0003535700000000 ] - [ 0.0009752400000000, -0.0003155000000000, 0.0003155000000000 ] - [ -0.0009663700000000, -0.0000043200000000, 0.0000043200000000 ] - [ 0.0029892200000000, -0.0003466200000000, 0.0023795400000000 ] - [ -0.0003499600000000, -0.0003104900000000, -0.0008368400000000 ] - [ -0.0004052700000000, 0.0006153300000000, -0.0003496200000000 ] - [ -0.0028227100000000, 0.0013695100000000, -0.0015372000000000 ] - [ 0.0006528300000000, 0.0004590700000000, 0.0005383400000000 ] - [ 0.0005254300000000, 0.0004239100000000, 0.0005224200000000 ] - [ 0.0000233600000000, -0.0000459100000000, 0.0008588600000000 ] - [ 0.0010375500000000, 0.0000324800000000, -0.0000324800000000 ] - [ -0.0384735800000000, -0.0315687900000000, 0.0315687900000000 ] - [ -0.0000825200000000, 0.0000596200000000, -0.0010250400000000 ] - [ 0.0000233600000000, -0.0008588600000000, 0.0000459100000000 ] - [ 0.0005849800000000, -0.0002301600000000, -0.0003362900000000 ] - [ -0.0007540800000000, -0.0002335400000000, 0.0003019700000000 ] - [ 0.0003874600000000, -0.0005681300000000, 0.0003381800000000 ] - [ 0.0008947400000000, -0.0008415300000000, -0.0008058200000000 ] - [ -0.0003499600000000, 0.0008368400000000, 0.0003104900000000 ] - [ 0.0003728900000000, 0.0003454400000000, -0.0006065900000000 ] - [ 0.0006759300000000, 0.0002884500000000, -0.0002884500000000 ] - [ 0.0003874600000000, -0.0003381800000000, 0.0005681300000000 ] - [ 0.0000614000000000, 0.0000720100000000, -0.0009457600000000 ] - [ -0.0005707000000000, -0.0009430000000000, -0.0009900200000000 ] - [ -0.0002498600000000, -0.0004407000000000, -0.0004259600000000 ] - [ -0.0014717200000000, 0.0000688000000000, 0.0000410400000000 ] - [ -0.0008017300000000, 0.0004720900000000, -0.0002455900000000 ] - [ -0.0005707000000000, 0.0009900200000000, 0.0009430000000000 ] - [ 0.0005417700000000, 0.0004474900000000, -0.0002088900000000 ] - [ -0.0005786800000000, -0.0003184800000000, 0.0000777600000000 ] - [ -0.0003829500000000, -0.0006787300000000, 0.0002420500000000 ] - [ 0.0003096700000000, 0.0011190000000000, -0.0002059200000000 ] - [ -0.0000825200000000, 0.0010250400000000, -0.0000596200000000 ] - [ -0.0000461500000000, -0.0000384000000000, 0.0006327000000000 ] - [ 0.0005254300000000, -0.0005224200000000, -0.0004239100000000 ] - [ -0.0002498600000000, 0.0004259600000000, 0.0004407000000000 ] - [ 0.0013682300000000, 0.0002704800000000, 0.0002813000000000 ] - [ -0.0001585700000000, -0.0013072300000000, 0.0003914900000000 ] - [ 0.0006528300000000, -0.0005383400000000, -0.0004590700000000 ] - [ 0.0007359100000000, -0.0003144700000000, 0.0003144700000000 ] - [ 0.0037561300000000, 0.0005398000000000, -0.0005398000000000 ] - [ 0.0005849800000000, 0.0003362900000000, 0.0002301600000000 ] - [ -0.0005788700000000, -0.0008480900000000, -0.0004574800000000 ] - [ -0.0028227100000000, 0.0015372000000000, -0.0013695100000000 ] - [ -0.0004052700000000, 0.0003496200000000, -0.0006153300000000 ] - [ 0.0003678100000000, 0.0003535700000000, 0.0006052200000000 ] - [ 0.0004039000000000, 0.0006737100000000, 0.0002730500000000 ] - [ 0.0003244600000000, -0.0002434400000000, 0.0012138700000000 ] - [ 0.0021005800000000, 0.0000898200000000, -0.0000898200000000 ] - [ -0.0004030300000000, 0.0002765100000000, -0.0002765100000000 ] - [ -0.0001583200000000, 0.0002387300000000, -0.0001548200000000 ] - [ 0.0003244600000000, -0.0012138700000000, 0.0002434400000000 ] - [ 0.0029892200000000, -0.0023795400000000, 0.0003466200000000 ] - [ -0.0007540800000000, -0.0003019700000000, 0.0002335400000000 ] - [ 0.0004669400000000, -0.0004090900000000, 0.0000982800000000 ] - [ 0.0008947400000000, 0.0008058200000000, 0.0008415300000000 ] - [ -0.0005788700000000, 0.0004574800000000, 0.0008480900000000 ] - [ 0.0005417700000000, 0.0002088900000000, -0.0004474900000000 ] - [ 0.0009973600000000, 0.0003563300000000, -0.0003563300000000 ] - [ 0.0004669400000000, -0.0000982800000000, 0.0004090900000000 ] - [ 0.0003096700000000, 0.0002059200000000, -0.0011190000000000 ] - [ -0.0001770300000000, -0.0005831400000000, -0.0001747800000000 ] - [ -0.0020690900000000, 0.0001253600000000, -0.0011053000000000 ] - [ -0.0007715300000000, 0.0000313200000000, -0.0000313200000000 ] - [ 0.0000271600000000, 0.0003117700000000, -0.0003117700000000 ] - [ -0.0000793000000000, 0.0003711800000000, 0.0004023600000000 ] - [ 0.0002687500000000, 0.0008254300000000, -0.0003225400000000 ] - [ -0.0001789500000000, -0.0002291100000000, 0.0005743200000000 ] - [ -0.0001789500000000, -0.0005743200000000, 0.0002291100000000 ] - [ -0.0000880500000000, 0.0015349300000000, 0.0001736000000000 ] - [ 0.0000137000000000, 0.0011737100000000, 0.0000588800000000 ] - [ 0.0000685600000000, 0.0000702500000000, 0.0009343800000000 ] - [ 0.0002275400000000, -0.0002164700000000, -0.0006285200000000 ] - [ -0.0005936900000000, 0.0003581800000000, 0.0002214700000000 ] - [ 0.0009151900000000, 0.0000128100000000, -0.0000128100000000 ] - [ 0.0000685600000000, -0.0009343800000000, -0.0000702500000000 ] - [ -0.0000985400000000, 0.0000656700000000, -0.0001684500000000 ] - [ 0.0002157200000000, -0.0003280300000000, -0.0000059100000000 ] - [ -0.0007863300000000, 0.0000249900000000, 0.0000366700000000 ] - [ 0.0007014100000000, 0.0003122700000000, 0.0002679900000000 ] - [ 0.0000438200000000, -0.0003362500000000, -0.0003619700000000 ] - [ 0.0000495800000000, 0.0003908200000000, -0.0000007400000000 ] - [ 0.0000495800000000, 0.0000007400000000, -0.0003908200000000 ] - [ -0.0000985400000000, 0.0001684500000000, -0.0000656700000000 ] - [ 0.0002275400000000, 0.0006285200000000, 0.0002164700000000 ] - [ -0.0001285000000000, 0.0001026700000000, 0.0008857000000000 ] - [ 0.0006870700000000, 0.0000225100000000, -0.0000061300000000 ] - [ 0.0005100500000000, -0.0003281200000000, -0.0003243300000000 ] - [ 0.0000137000000000, -0.0000588800000000, -0.0011737100000000 ] - [ -0.0010221200000000, -0.0029866100000000, -0.0012246100000000 ] - [ 0.0007014100000000, -0.0002679900000000, -0.0003122700000000 ] - [ -0.0005271600000000, -0.0002401100000000, 0.0002401100000000 ] - [ 0.0001961900000000, -0.0005506100000000, 0.0002526100000000 ] - [ 0.0055381900000000, 0.0019810600000000, -0.0019810600000000 ] - [ -0.0002051900000000, 0.0005984400000000, 0.0002163700000000 ] - [ -0.0004312700000000, -0.0000480300000000, -0.0001571400000000 ] - [ 0.0002594500000000, 0.0003912100000000, -0.0001079600000000 ] - [ 0.0002170900000000, 0.0001567800000000, 0.0012470900000000 ] - [ -0.0000989300000000, -0.0000517400000000, -0.0008030200000000 ] - [ -0.0000793000000000, -0.0004023600000000, -0.0003711800000000 ] - [ -0.0005936900000000, -0.0002214700000000, -0.0003581800000000 ] - [ -0.0004199900000000, -0.0000367700000000, 0.0000367700000000 ] - [ -0.0005303900000000, 0.0003037600000000, -0.0003037600000000 ] - [ -0.0001770300000000, 0.0001747800000000, 0.0005831400000000 ] - [ -0.0004312700000000, 0.0001571400000000, 0.0000480300000000 ] - [ 0.0001220000000000, -0.0000351700000000, 0.0004377500000000 ] - [ 0.0001220000000000, -0.0004377500000000, 0.0000351700000000 ] - [ -0.0000989300000000, 0.0008030200000000, 0.0000517400000000 ] - [ 0.0001025700000000, 0.0009904300000000, 0.0001148400000000 ] - [ 0.0001075800000000, 0.0000194200000000, 0.0011647600000000 ] - [ -0.0026638200000000, 0.0020926100000000, 0.0012270800000000 ] - [ -0.0020690900000000, 0.0011053000000000, -0.0001253600000000 ] - [ -0.0010900600000000, -0.0005860000000000, 0.0005860000000000 ] - [ 0.0001075800000000, -0.0011647600000000, -0.0000194200000000 ] - [ 0.0001982900000000, -0.0007293100000000, -0.0003614100000000 ] - [ 0.0002157200000000, 0.0000059100000000, 0.0003280300000000 ] - [ -0.0007863300000000, -0.0000366700000000, -0.0000249900000000 ] - [ 0.0006873400000000, 0.0003018600000000, 0.0003463100000000 ] - [ -0.0002051900000000, -0.0002163700000000, -0.0005984400000000 ] - [ -0.0001626900000000, 0.0006460500000000, -0.0003325900000000 ] - [ -0.0001626900000000, 0.0003325900000000, -0.0006460500000000 ] - [ 0.0001982900000000, 0.0003614100000000, 0.0007293100000000 ] - [ -0.0026638200000000, -0.0012270800000000, -0.0020926100000000 ] - [ -0.0010221200000000, 0.0012246100000000, 0.0029866100000000 ] - [ 0.0006870700000000, 0.0000061300000000, -0.0000225100000000 ] - [ 0.0005100500000000, 0.0003243300000000, 0.0003281200000000 ] - [ 0.0001025700000000, -0.0001148400000000, -0.0009904300000000 ] - [ -0.0001285000000000, -0.0008857000000000, -0.0001026700000000 ] - [ 0.0006873400000000, -0.0003463100000000, -0.0003018600000000 ] - [ 0.0002886300000000, 0.0000839300000000, -0.0000839300000000 ] - [ 0.0002170900000000, -0.0012470900000000, -0.0001567800000000 ] - [ -0.0005748900000000, 0.0005031500000000, -0.0005031500000000 ] - [ 0.0000438200000000, 0.0003619700000000, 0.0003362500000000 ] - [ 0.0002687500000000, 0.0003225400000000, -0.0008254300000000 ] - [ 0.0002594500000000, 0.0001079600000000, -0.0003912100000000 ] - [ 0.0001961900000000, -0.0002526100000000, 0.0005506100000000 ] - [ -0.0000880500000000, -0.0001736000000000, -0.0015349300000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001195000000000, -0.0001051800000000, 0.0001051800000000 ] - [ 0.0001736000000000, -0.0002568700000000, -0.0003630000000000 ] - [ -0.0012994900000000, -0.0013863200000000, -0.0010505500000000 ] - [ -0.0001404000000000, -0.0023019200000000, -0.0003649600000000 ] - [ -0.0006847900000000, -0.0002734200000000, -0.0000454300000000 ] - [ 0.0003140600000000, 0.0000427400000000, -0.0000427400000000 ] - [ -0.0000431600000000, -0.0001297200000000, -0.0001221700000000 ] - [ 0.0001736000000000, 0.0003630000000000, 0.0002568700000000 ] - [ 0.0013411000000000, 0.0002245900000000, -0.0002245900000000 ] - [ 0.0023165100000000, -0.0002098300000000, 0.0005906200000000 ] - [ -0.0012994900000000, 0.0010505500000000, 0.0013863200000000 ] - [ -0.0000431600000000, 0.0001221700000000, 0.0001297200000000 ] - [ -0.0006847900000000, 0.0000454300000000, 0.0002734200000000 ] - [ 0.0009256300000000, -0.0002472400000000, 0.0002472400000000 ] - [ -0.0001404000000000, 0.0003649600000000, 0.0023019200000000 ] - [ 0.0023165100000000, -0.0005906200000000, 0.0002098300000000 ] - [ -0.0009364300000000, -0.0005253000000000, 0.0002061700000000 ] - [ 0.0002094400000000, -0.0003812600000000, -0.0003739700000000 ] - [ 0.0005654600000000, -0.0002087200000000, 0.0002087200000000 ] - [ -0.0000765700000000, 0.0001120300000000, 0.0000062400000000 ] - [ 0.0003706100000000, 0.0001456800000000, -0.0001456800000000 ] - [ -0.0015515700000000, -0.0011394000000000, -0.0013042900000000 ] - [ -0.0000765700000000, -0.0000062400000000, -0.0001120300000000 ] - [ 0.0001156000000000, -0.0020516300000000, -0.0001115600000000 ] - [ -0.0009364300000000, -0.0002061700000000, 0.0005253000000000 ] - [ 0.0001156000000000, 0.0001115600000000, 0.0020516300000000 ] - [ 0.0011776400000000, -0.0004982300000000, 0.0004982300000000 ] - [ 0.0020622900000000, -0.0008375800000000, -0.0000429000000000 ] - [ 0.0015927900000000, 0.0004773700000000, -0.0004773700000000 ] - [ -0.0015515700000000, 0.0013042900000000, 0.0011394000000000 ] - [ 0.0020622900000000, 0.0000429000000000, 0.0008375800000000 ] - [ 0.0002094400000000, 0.0003739700000000, 0.0003812600000000 ] - [ -0.0317916000000000, 0.0019860400000000, -0.0019860400000000 ] - [ 0.0003550400000000, -0.0006031600000000, 0.0002271100000000 ] - [ 0.0017821200000000, 0.0002287100000000, -0.0002265800000000 ] - [ 0.0030329900000000, 0.0020106500000000, -0.0041526700000000 ] - [ -0.0005496200000000, -0.0002110200000000, 0.0002110200000000 ] - [ 0.0030329900000000, 0.0041526700000000, -0.0020106500000000 ] - [ 0.0017821200000000, 0.0002265800000000, -0.0002287100000000 ] - [ 0.0003550400000000, -0.0002271100000000, 0.0006031600000000 ] - [ 0.0014852900000000, -0.0002119900000000, 0.0002735900000000 ] - [ 0.0030316600000000, 0.0041601600000000, -0.0020099300000000 ] - [ -0.0034106100000000, -0.0020153800000000, 0.0020153800000000 ] - [ 0.0030316600000000, 0.0020099300000000, -0.0041601600000000 ] - [ 0.0014852900000000, -0.0002735900000000, 0.0002119900000000 ] - [ 0.0003534300000000, -0.0006041500000000, 0.0002267400000000 ] - [ -0.0034108000000000, -0.0020063400000000, 0.0020063400000000 ] - [ 0.0003534300000000, -0.0002267400000000, 0.0006041500000000 ] - [ 0.0002699300000000, 0.0003896100000000, 0.0005493300000000 ] - [ 0.0055560100000000, 0.0059748700000000, 0.0172360400000000 ] - [ 0.0055560100000000, -0.0172360400000000, -0.0059748700000000 ] - [ -0.0007822600000000, 0.0005140100000000, -0.0007475700000000 ] - [ -0.0007822600000000, 0.0007475700000000, -0.0005140100000000 ] - [ -0.0007679000000000, -0.0007182900000000, -0.0007938200000000 ] - [ -0.0083514400000000, -0.0153413100000000, 0.0153413100000000 ] - [ 0.0015950000000000, -0.0016956300000000, -0.0005333500000000 ] - [ 0.0005163800000000, 0.0006825000000000, -0.0005269500000000 ] - [ 0.0025383900000000, -0.0000734700000000, 0.0000734700000000 ] - [ 0.0010790900000000, -0.0001455300000000, 0.0000617000000000 ] - [ 0.0001354500000000, -0.0002208900000000, 0.0001519000000000 ] - [ 0.0005163800000000, 0.0005269500000000, -0.0006825000000000 ] - [ -0.0003730100000000, -0.0003460200000000, 0.0000086600000000 ] - [ -0.0003730100000000, -0.0000086600000000, 0.0003460200000000 ] - [ 0.0006362600000000, -0.0002804100000000, 0.0005394600000000 ] - [ 0.0006362600000000, -0.0005394600000000, 0.0002804100000000 ] - [ -0.0007679000000000, 0.0007938200000000, 0.0007182900000000 ] - [ -0.0008054400000000, -0.0001549000000000, 0.0001549000000000 ] - [ 0.0001354500000000, -0.0001519000000000, 0.0002208900000000 ] - [ 0.0002699300000000, -0.0005493300000000, -0.0003896100000000 ] - [ 0.0005175400000000, -0.0000017100000000, 0.0000017100000000 ] - [ 0.0010790900000000, -0.0000617000000000, 0.0001455300000000 ] - [ 0.0015950000000000, 0.0005333500000000, 0.0016956300000000 ] - [ 0.0055422900000000, 0.0059813800000000, 0.0173180500000000 ] - [ 0.0002694300000000, 0.0003889600000000, 0.0006196600000000 ] - [ 0.0005166100000000, 0.0006134500000000, -0.0005267700000000 ] - [ 0.0001352700000000, -0.0001521400000000, 0.0001513400000000 ] - [ 0.0015990500000000, -0.0016997300000000, -0.0006068300000000 ] - [ 0.0024766700000000, -0.0000742000000000, 0.0000742000000000 ] - [ 0.0010102500000000, -0.0001456900000000, 0.0000617000000000 ] - [ -0.0007829300000000, 0.0007484700000000, -0.0004449000000000 ] - [ 0.0055422900000000, -0.0173180500000000, -0.0059813800000000 ] - [ -0.0006998100000000, -0.0007181000000000, -0.0007943500000000 ] - [ -0.0080401000000000, -0.0152201400000000, 0.0152201400000000 ] - [ -0.0007829300000000, 0.0004449000000000, -0.0007484700000000 ] - [ -0.0003727900000000, -0.0003460200000000, -0.0000603000000000 ] - [ 0.0005166100000000, 0.0005267700000000, -0.0006134500000000 ] - [ 0.0002694300000000, -0.0006196600000000, -0.0003889600000000 ] - [ 0.0015990500000000, 0.0006068300000000, 0.0016997300000000 ] - [ 0.0001352700000000, -0.0001513400000000, 0.0001521400000000 ] - [ 0.0004474800000000, -0.0000018400000000, 0.0000018400000000 ] - [ 0.0010102500000000, -0.0000617000000000, 0.0001456900000000 ] - [ 0.0006350300000000, -0.0005386200000000, 0.0003502800000000 ] - [ -0.0003727900000000, 0.0000603000000000, 0.0003460200000000 ] - [ -0.0006998100000000, 0.0007943500000000, 0.0007181000000000 ] - [ -0.0007337100000000, -0.0001541500000000, 0.0001541500000000 ] - [ 0.0006350300000000, -0.0003502800000000, 0.0005386200000000 ] - [ -0.0016705400000000, -0.0011721800000000, -0.0009281600000000 ] - [ -0.0003722400000000, -0.0009086900000000, -0.0004020700000000 ] - [ -0.0016849100000000, 0.0000854700000000, 0.0000381500000000 ] - [ -0.0011102900000000, 0.0006286900000000, -0.0002658000000000 ] - [ -0.0016705400000000, 0.0009281600000000, 0.0011721800000000 ] - [ 0.0022070200000000, 0.0042330400000000, 0.0009274200000000 ] - [ -0.0006795300000000, -0.0002539100000000, 0.0003384200000000 ] - [ -0.0008279900000000, -0.0009724100000000, 0.0006268600000000 ] - [ 0.0017614000000000, 0.0080729900000000, 0.0013884800000000 ] - [ -0.0002002400000000, 0.0010615000000000, -0.0001316800000000 ] - [ -0.0001210900000000, -0.0001995500000000, 0.0005204900000000 ] - [ 0.0008154900000000, -0.0007925000000000, -0.0004490700000000 ] - [ -0.0003722400000000, 0.0004020700000000, 0.0009086900000000 ] - [ 0.0015391100000000, 0.0002560400000000, 0.0004202900000000 ] - [ -0.0006474500000000, -0.0014206100000000, 0.0006325900000000 ] - [ -0.0047399100000000, 0.0056752800000000, 0.0037149600000000 ] - [ 0.0010530800000000, -0.0001685600000000, 0.0001685600000000 ] - [ -0.0026819100000000, -0.0002335300000000, 0.0002335300000000 ] - [ 0.0003757400000000, 0.0002598100000000, 0.0002255000000000 ] - [ -0.0006662700000000, -0.0006691800000000, -0.0002515400000000 ] - [ -0.0013915600000000, 0.0007485200000000, -0.0010527700000000 ] - [ -0.0004873800000000, 0.0003693400000000, -0.0006647500000000 ] - [ 0.0005364700000000, 0.0005089800000000, 0.0006525700000000 ] - [ 0.0000768200000000, 0.0006085900000000, -0.0000891800000000 ] - [ 0.0005317100000000, -0.0005297200000000, 0.0012638900000000 ] - [ 0.0072343200000000, 0.0025367700000000, -0.0025367700000000 ] - [ -0.0004468600000000, 0.0000801700000000, -0.0000801700000000 ] - [ -0.0006128400000000, 0.0005399900000000, -0.0005176500000000 ] - [ 0.0005317100000000, -0.0012638900000000, 0.0005297200000000 ] - [ -0.0005036800000000, 0.0000240600000000, -0.0000126200000000 ] - [ -0.0010832500000000, -0.0004717900000000, 0.0001670900000000 ] - [ 0.0003702700000000, -0.0003594200000000, -0.0005061800000000 ] - [ 0.0011358600000000, 0.0009239100000000, 0.0008042900000000 ] - [ -0.0006662700000000, 0.0002515400000000, 0.0006691800000000 ] - [ 0.0022070200000000, -0.0009274200000000, -0.0042330400000000 ] - [ 0.0049809600000000, 0.0072113000000000, -0.0072113000000000 ] - [ 0.0003702700000000, 0.0005061800000000, 0.0003594200000000 ] - [ 0.0017614000000000, -0.0013884800000000, -0.0080729900000000 ] - [ -0.0003909100000000, -0.0005343500000000, -0.0003595000000000 ] - [ -0.0000283100000000, 0.0003621600000000, 0.0001056300000000 ] - [ -0.0016849100000000, -0.0000381500000000, -0.0000854700000000 ] - [ -0.0011102900000000, 0.0002658000000000, -0.0006286900000000 ] - [ -0.0003909100000000, 0.0003595000000000, 0.0005343500000000 ] - [ 0.0005613000000000, 0.0006419200000000, -0.0004853600000000 ] - [ -0.0008279900000000, -0.0006268600000000, 0.0009724100000000 ] - [ -0.0006795300000000, -0.0003384200000000, 0.0002539100000000 ] - [ 0.0001500300000000, 0.0008939400000000, -0.0001811000000000 ] - [ -0.0006128400000000, 0.0005176500000000, -0.0005399900000000 ] - [ -0.0006474500000000, -0.0006325900000000, 0.0014206100000000 ] - [ 0.0000768200000000, 0.0000891800000000, -0.0006085900000000 ] - [ -0.0000283100000000, -0.0001056300000000, -0.0003621600000000 ] - [ 0.0015391100000000, -0.0004202900000000, -0.0002560400000000 ] - [ -0.0001210900000000, -0.0005204900000000, 0.0001995500000000 ] - [ 0.0005364700000000, -0.0006525700000000, -0.0005089800000000 ] - [ 0.0008093700000000, 0.0057837800000000, -0.0057837800000000 ] - [ -0.0012837200000000, 0.0000378600000000, -0.0000378600000000 ] - [ -0.0005036800000000, 0.0000126200000000, -0.0000240600000000 ] - [ -0.0007280000000000, -0.0003716000000000, -0.0009379200000000 ] - [ -0.0004873800000000, 0.0006647500000000, -0.0003693400000000 ] - [ -0.0013915600000000, 0.0010527700000000, -0.0007485200000000 ] - [ -0.0047399100000000, -0.0037149600000000, -0.0056752800000000 ] - [ 0.0008154900000000, 0.0004490700000000, 0.0007925000000000 ] - [ -0.0000976600000000, 0.0001662500000000, 0.0007256300000000 ] - [ 0.0014966100000000, 0.0003352700000000, -0.0003352700000000 ] - [ -0.0020058600000000, -0.0000542500000000, 0.0000542500000000 ] - [ -0.0002002400000000, 0.0001316800000000, -0.0010615000000000 ] - [ -0.0000976600000000, -0.0007256300000000, -0.0001662500000000 ] - [ 0.0003757400000000, -0.0002255000000000, -0.0002598100000000 ] - [ -0.0010832500000000, -0.0001670900000000, 0.0004717900000000 ] - [ 0.0010547600000000, -0.0008497000000000, 0.0008936900000000 ] - [ 0.0011358600000000, -0.0008042900000000, -0.0009239100000000 ] - [ -0.0007280000000000, 0.0009379200000000, 0.0003716000000000 ] - [ 0.0005613000000000, 0.0004853600000000, -0.0006419200000000 ] - [ 0.0009560200000000, 0.0004924000000000, -0.0004924000000000 ] - [ 0.0010547600000000, -0.0008936900000000, 0.0008497000000000 ] - [ 0.0001500300000000, 0.0001811000000000, -0.0008939400000000 ] - [ -0.0004933900000000, -0.0005916800000000, -0.0006602400000000 ] - [ -0.0008257400000000, -0.0003129400000000, -0.0003475200000000 ] - [ 0.0052364200000000, 0.0025567200000000, -0.0025567200000000 ] - [ -0.0001461600000000, 0.0004028900000000, -0.0004028900000000 ] - [ 0.0002452200000000, -0.0002213400000000, 0.0007518000000000 ] - [ -0.0002558100000000, 0.0002292100000000, 0.0000542900000000 ] - [ 0.0015707400000000, -0.0015460200000000, -0.0030437100000000 ] - [ 0.0015707400000000, 0.0030437100000000, 0.0015460200000000 ] - [ -0.0006469700000000, 0.0004586800000000, 0.0006324400000000 ] - [ 0.0005328700000000, 0.0006153200000000, 0.0005295800000000 ] - [ 0.0019330100000000, -0.0012567400000000, -0.0062126000000000 ] - [ -0.0011030300000000, 0.0003601000000000, -0.0000244400000000 ] - [ -0.0017064200000000, 0.0005975300000000, 0.0005605800000000 ] - [ -0.0008062700000000, -0.0002349400000000, 0.0002349400000000 ] - [ 0.0019330100000000, 0.0062126000000000, 0.0012567400000000 ] - [ -0.0000942000000000, -0.0009492400000000, 0.0000980100000000 ] - [ 0.0000925400000000, 0.0000553900000000, 0.0003084600000000 ] - [ -0.0003406200000000, 0.0002560700000000, 0.0004206300000000 ] - [ 0.0008294600000000, -0.0003368100000000, 0.0001702000000000 ] - [ -0.0000344200000000, -0.0000626300000000, -0.0005482400000000 ] - [ -0.0002035100000000, 0.0008421000000000, -0.0010783300000000 ] - [ -0.0002035100000000, 0.0010783300000000, -0.0008421000000000 ] - [ -0.0000942000000000, -0.0000980100000000, 0.0009492400000000 ] - [ -0.0011030300000000, 0.0000244400000000, -0.0003601000000000 ] - [ -0.0006131500000000, 0.0005407300000000, 0.0013657500000000 ] - [ 0.0001959600000000, 0.0000857100000000, 0.0000383300000000 ] - [ 0.0011332600000000, 0.0009259600000000, 0.0008031800000000 ] - [ 0.0005328700000000, -0.0005295800000000, -0.0006153200000000 ] - [ -0.0001998300000000, -0.0008179900000000, -0.0001313800000000 ] - [ 0.0008294600000000, -0.0001702000000000, 0.0003368100000000 ] - [ 0.0040092100000000, 0.0066390800000000, -0.0066390800000000 ] - [ -0.0008193700000000, -0.0004507300000000, -0.0004798000000000 ] - [ -0.0004479300000000, 0.0000805500000000, -0.0000805500000000 ] - [ -0.0053069400000000, 0.0068924000000000, 0.0042655700000000 ] - [ -0.0001075600000000, 0.0003178500000000, -0.0008614800000000 ] - [ 0.0001191300000000, 0.0001017100000000, -0.0004067100000000 ] - [ 0.0000845300000000, -0.0002027600000000, 0.0005365200000000 ] - [ -0.0001208100000000, -0.0001992800000000, -0.0013609300000000 ] - [ 0.0002452200000000, -0.0007518000000000, 0.0002213400000000 ] - [ -0.0017064200000000, -0.0005605800000000, -0.0005975300000000 ] - [ -0.0003860500000000, 0.0003335700000000, -0.0003335700000000 ] - [ -0.0003390700000000, 0.0063787600000000, -0.0063787600000000 ] - [ -0.0004933900000000, 0.0006602400000000, 0.0005916800000000 ] - [ -0.0001075600000000, 0.0008614800000000, -0.0003178500000000 ] - [ -0.0000103800000000, -0.0000860800000000, 0.0005587900000000 ] - [ -0.0000103800000000, -0.0005587900000000, 0.0000860800000000 ] - [ -0.0001208100000000, 0.0013609300000000, 0.0001992800000000 ] - [ -0.0000963500000000, 0.0011546500000000, -0.0001655900000000 ] - [ 0.0001502100000000, 0.0001812700000000, 0.0009839800000000 ] - [ 0.0001810400000000, -0.0002119600000000, -0.0006663700000000 ] - [ -0.0008257400000000, 0.0003475200000000, 0.0003129400000000 ] - [ 0.0005982300000000, 0.0000380400000000, -0.0000380400000000 ] - [ 0.0001502100000000, -0.0009839800000000, -0.0001812700000000 ] - [ -0.0001559400000000, -0.0002618900000000, -0.0002005300000000 ] - [ 0.0000925400000000, -0.0003084600000000, -0.0000553900000000 ] - [ -0.0003406200000000, -0.0004206300000000, -0.0002560700000000 ] - [ 0.0011731600000000, 0.0009344000000000, 0.0006777400000000 ] - [ -0.0053069400000000, -0.0042655700000000, -0.0068924000000000 ] - [ 0.0004821700000000, 0.0003509200000000, 0.0003213500000000 ] - [ 0.0004821700000000, -0.0003213500000000, -0.0003509200000000 ] - [ -0.0001559400000000, 0.0002005300000000, 0.0002618900000000 ] - [ 0.0001810400000000, 0.0006663700000000, 0.0002119600000000 ] - [ -0.0001998300000000, 0.0001313800000000, 0.0008179900000000 ] - [ 0.0001959600000000, -0.0000383300000000, -0.0000857100000000 ] - [ 0.0011332600000000, -0.0008031800000000, -0.0009259600000000 ] - [ -0.0000963500000000, 0.0001655900000000, -0.0011546500000000 ] - [ -0.0006131500000000, -0.0013657500000000, -0.0005407300000000 ] - [ 0.0011731600000000, -0.0006777400000000, -0.0009344000000000 ] - [ -0.0002441100000000, -0.0000797900000000, 0.0000797900000000 ] - [ 0.0000845300000000, -0.0005365200000000, 0.0002027600000000 ] - [ -0.0020072300000000, -0.0000550500000000, 0.0000550500000000 ] - [ -0.0000344200000000, 0.0005482400000000, 0.0000626300000000 ] - [ -0.0002558100000000, -0.0000542900000000, -0.0002292100000000 ] - [ 0.0001191300000000, 0.0004067100000000, -0.0001017100000000 ] - [ -0.0008193700000000, 0.0004798000000000, 0.0004507300000000 ] - [ -0.0006469700000000, -0.0006324400000000, -0.0004586800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009296600000000, 0.0000704000000000, 0.0000260500000000 ] - [ 0.0001533100000000, -0.0000715800000000, -0.0001261500000000 ] - [ 0.0001885900000000, -0.0000440000000000, 0.0001211700000000 ] - [ -0.0000122300000000, -0.0000054700000000, -0.0000836200000000 ] - [ 0.0002387200000000, 0.0002466800000000, -0.0001676800000000 ] - [ -0.0001814900000000, -0.0007748200000000, -0.0007850800000000 ] - [ -0.0000613700000000, 0.0002071500000000, 0.0001300200000000 ] - [ 0.0003703900000000, -0.0007492900000000, 0.0002023600000000 ] - [ -0.0001378800000000, -0.0001555900000000, 0.0000789500000000 ] - [ 0.0002451200000000, -0.0001859100000000, 0.0000852900000000 ] - [ 0.0004669600000000, -0.0002262000000000, 0.0001448900000000 ] - [ 0.0002895800000000, -0.0001012000000000, -0.0000240800000000 ] - [ 0.0005405300000000, 0.0001496900000000, -0.0002290400000000 ] - [ -0.0001650100000000, 0.0002440800000000, 0.0000884000000000 ] - [ 0.0002165100000000, 0.0000234800000000, 0.0001040800000000 ] - [ 0.0002249800000000, 0.0002279400000000, 0.0000769700000000 ] - [ -0.0000278800000000, -0.0000242800000000, 0.0001756700000000 ] - [ 0.0000867900000000, -0.0000078400000000, -0.0003423400000000 ] - [ 0.0000330000000000, 0.0002514000000000, 0.0001094000000000 ] - [ -0.0001088600000000, 0.0003344900000000, -0.0000279100000000 ] - [ 0.0001414500000000, 0.0005838800000000, -0.0002208000000000 ] - [ -0.0000085000000000, 0.0000675800000000, -0.0003403300000000 ] - [ -0.0002183100000000, 0.0005022900000000, 0.0001413100000000 ] - [ 0.0001122700000000, 0.0000949700000000, 0.0001706000000000 ] - [ 0.0001173800000000, -0.0010183500000000, 0.0000508700000000 ] - [ 0.0000768300000000, -0.0010471600000000, 0.0005520000000000 ] - [ -0.0046206100000000, -0.0058041400000000, -0.0013945700000000 ] - [ -0.0004373600000000, -0.0005245400000000, 0.0002836400000000 ] - [ -0.0001764700000000, -0.0002673100000000, -0.0005356900000000 ] - [ -0.0001029000000000, 0.0001822200000000, -0.0001274900000000 ] - [ -0.0049299300000000, -0.0055492000000000, 0.0015803700000000 ] - [ -0.0006767300000000, 0.0003236600000000, 0.0002282800000000 ] - [ 0.0002683800000000, -0.0003483100000000, 0.0000630100000000 ] - [ 0.0055314000000000, 0.0060329200000000, -0.0153547000000000 ] - [ -0.0007812900000000, -0.0007470400000000, -0.0000761800000000 ] - [ -0.0007854300000000, -0.0007489000000000, 0.0000730700000000 ] - [ 0.0005168500000000, 0.0005297600000000, 0.0001536300000000 ] - [ -0.0003728500000000, 0.0003902600000000, -0.0001464900000000 ] - [ 0.0006385700000000, 0.0016988900000000, -0.0007191900000000 ] - [ 0.0006325900000000, 0.0016970900000000, 0.0007168500000000 ] - [ 0.0055686000000000, 0.0059239400000000, 0.0152087800000000 ] - [ 0.0002707200000000, -0.0003436600000000, -0.0000611000000000 ] - [ 0.0016037000000000, 0.0005465800000000, 0.0008024800000000 ] - [ 0.0015921600000000, 0.0005306600000000, -0.0007854200000000 ] - [ -0.0003738200000000, 0.0003885300000000, 0.0001449400000000 ] - [ 0.0005168500000000, 0.0005240200000000, -0.0001539600000000 ] - [ 0.0001337400000000, 0.0001505600000000, -0.0000022400000000 ] - [ 0.0001361800000000, 0.0001522700000000, 0.0000012200000000 ] - [ -0.4757041100000000, -0.2287872600000000, -0.0072236400000000 ] - [ 0.0000197400000000, 0.0000036400000000, 0.0000010400000000 ] - [ 0.0000481900000000, -0.0002967300000000, -0.0000431700000000 ] - [ -0.0000077500000000, 0.0002604800000000, 0.0000005900000000 ] - [ 0.0000319700000000, 0.0000215000000000, -0.0000437400000000 ] - [ 0.0002165900000000, -0.0009903400000000, -0.0012005600000000 ] - [ 0.0001571100000000, 0.0000010200000000, -0.0000084200000000 ] - [ 0.0000471100000000, 0.0000000400000000, 0.0000339900000000 ] - [ -0.0009754900000000, 0.0006984700000000, 0.0009826900000000 ] - [ -0.0001884100000000, 0.0000398300000000, 0.0000361900000000 ] - [ 0.0002889400000000, -0.0009814400000000, 0.0011903500000000 ] - [ -0.0009795500000000, 0.0006207800000000, -0.0009896200000000 ] - [ 0.0000826500000000, 0.0000458000000000, -0.0000356500000000 ] - [ 0.0009690000000000, 0.0009691200000000, -0.0004080200000000 ] - [ 0.0000471500000000, 0.0005942900000000, -0.0000392400000000 ] - [ 0.0056498700000000, 0.0004218600000000, 0.0046979400000000 ] - [ 0.0000302700000000, -0.0000202000000000, 0.0007542900000000 ] - [ 0.0000682400000000, 0.0002035400000000, 0.0002136700000000 ] - [ 0.0005716500000000, 0.0000447600000000, -0.0000378600000000 ] - [ -0.0008912500000000, 0.0008868500000000, 0.0000345200000000 ] - [ -0.0014655800000000, 0.0002868600000000, 0.0013468300000000 ] - [ -0.0005188900000000, 0.0046667400000000, 0.0039498900000000 ] - [ 0.0001389400000000, 0.0002037000000000, -0.0002139800000000 ] - [ -0.0014777300000000, 0.0002161400000000, -0.0013559500000000 ] - [ 0.0000129700000000, 0.0000461000000000, -0.0000354600000000 ] - [ 0.0009671800000000, 0.0009675300000000, 0.0004778800000000 ] - [ 0.0055421700000000, 0.0003509400000000, -0.0046217200000000 ] - [ 0.0000487500000000, 0.0006621300000000, 0.0000407600000000 ] - [ 0.0000336400000000, -0.0000231500000000, -0.0008178600000000 ] - [ -0.0000343800000000, -0.0013478000000000, -0.0013556100000000 ] - [ -0.0005891100000000, 0.0046532200000000, -0.0039595600000000 ] - [ 0.0008775800000000, -0.0008865600000000, 0.0000355000000000 ] - [ 0.0001777800000000, 0.0001357900000000, -0.0001858800000000 ] - [ 0.0006378400000000, 0.0000423900000000, 0.0000350400000000 ] - [ 0.0000364600000000, -0.0013557100000000, 0.0013628600000000 ] - [ 0.0001799900000000, 0.0000714800000000, 0.0001880500000000 ] - [ 0.0001893200000000, 0.0001887500000000, -0.0000338400000000 ] - [ 0.0000188500000000, 0.0000064700000000, 0.0000621600000000 ] - [ -0.0000068200000000, 0.0001913400000000, -0.0000017300000000 ] - [ 0.0000488800000000, -0.0002284600000000, 0.0000442300000000 ] - [ 0.0000316400000000, 0.0000215200000000, -0.0000252900000000 ] - [ -0.0000726800000000, 0.0001871600000000, 0.0002137900000000 ] - [ -0.0002561800000000, 0.0000405500000000, -0.0000365900000000 ] - [ -0.0000127200000000, 0.0000000200000000, 0.0000345400000000 ] - [ 0.0001802200000000, -0.0000051400000000, -0.0002048300000000 ] - [ 0.0002262100000000, 0.0000015800000000, 0.0000088800000000 ] - [ -0.0000051900000000, 0.0001874900000000, -0.0002139000000000 ] - [ 0.0001783700000000, -0.0000765700000000, 0.0002030600000000 ] - [ 0.0005242100000000, -0.0002552400000000, 0.0001789200000000 ] - [ -0.0006834400000000, -0.0004525500000000, -0.0004281900000000 ] - [ -0.0010816300000000, 0.0010702700000000, -0.0008500500000000 ] - [ -0.0004777500000000, 0.0002974300000000, -0.0002076100000000 ] - [ -0.0002526200000000, 0.0003510400000000, 0.0006027000000000 ] - [ 0.0001387000000000, 0.0005173900000000, -0.0001517500000000 ] - [ -0.0011481900000000, -0.0011384500000000, -0.0001143900000000 ] - [ -0.0039266600000000, -0.0009482300000000, 0.0011544200000000 ] - [ 0.0000339700000000, 0.0011191800000000, -0.0000236400000000 ] - [ 0.0010039400000000, 0.0004000100000000, 0.0009233100000000 ] - [ 0.0969038600000000, 0.0186560100000000, 0.0013913600000000 ] - [ 0.0003955700000000, -0.0001599800000000, -0.0005960300000000 ] - [ -0.0008862800000000, 0.0008864400000000, 0.0008920300000000 ] - [ 0.0007892300000000, 0.0010748100000000, 0.0008536700000000 ] - [ 0.0009940100000000, -0.0014736800000000, -0.0009181900000000 ] - [ 0.0002821000000000, -0.0004536300000000, -0.0002104800000000 ] - [ 0.0006673400000000, -0.0004554400000000, 0.0003674900000000 ] - [ -0.0007770800000000, 0.0000237300000000, 0.0000191900000000 ] - [ 0.0005793800000000, -0.0042291400000000, 0.0001664000000000 ] - [ -0.0002796600000000, -0.0003842100000000, -0.0006044700000000 ] - [ -0.0002867100000000, 0.0007450000000000, -0.0003566600000000 ] - [ -0.0001714400000000, 0.0004058400000000, -0.0006012000000000 ] - [ -0.0005838600000000, -0.0005739200000000, 0.0013129500000000 ] - [ -0.0034196800000000, 0.0002380800000000, -0.0005979900000000 ] - [ -0.0000051100000000, -0.0000071900000000, 0.0009487600000000 ] - [ 0.0007954300000000, 0.0000215600000000, -0.0000043700000000 ] - [ 0.0002444400000000, 0.0000901900000000, 0.0001253900000000 ] - [ 0.0000114900000000, 0.0000318100000000, -0.0009326500000000 ] - [ 0.0000331800000000, -0.0010979600000000, 0.0000157600000000 ] - [ 0.0007206900000000, -0.0002702100000000, -0.0003590400000000 ] - [ -0.0006316500000000, -0.0047872800000000, 0.0004050500000000 ] - [ 0.0001200900000000, -0.0005314700000000, 0.0002028800000000 ] - [ -0.0001338500000000, -0.0001585500000000, 0.0000005000000000 ] - [ 0.0004165100000000, 0.0001301700000000, -0.0003568500000000 ] - [ 0.0002114200000000, 0.0003113100000000, -0.0005958000000000 ] - [ 0.0010539600000000, 0.0011381800000000, -0.0006439700000000 ] - [ 0.0002578700000000, -0.0003175300000000, 0.0006000000000000 ] - [ 0.0000163500000000, 0.0000295300000000, -0.0009052000000000 ] - [ 0.0003382500000000, -0.0010297100000000, 0.0004777600000000 ] - [ -0.0009025000000000, 0.0004246400000000, 0.0005972800000000 ] - [ -0.0010204100000000, -0.0002330800000000, 0.0001984800000000 ] - [ 0.0006216100000000, -0.0011171600000000, 0.0022522900000000 ] - [ 0.0001324000000000, -0.0003593200000000, 0.0004295600000000 ] - [ 0.0000910100000000, 0.0005928900000000, -0.0002459900000000 ] - [ -0.0002343300000000, -0.0002436200000000, 0.0006435000000000 ] - [ -0.0003009900000000, -0.0007160800000000, 0.0002880400000000 ] - [ -0.0001023200000000, 0.0004843200000000, 0.0000229700000000 ] - [ 0.0003041100000000, 0.0005502600000000, 0.0004376500000000 ] - [ -0.0000316400000000, -0.0000368200000000, 0.0009359700000000 ] - [ 0.0003597400000000, -0.0003725900000000, -0.0008752400000000 ] - [ -0.0006707200000000, 0.0000957300000000, 0.0001441900000000 ] - [ 0.0008485500000000, -0.0002330400000000, -0.0001984700000000 ] - [ 0.0003024700000000, -0.0013171800000000, -0.0004348700000000 ] - [ 0.0003434300000000, -0.0008922300000000, -0.0002654100000000 ] - [ 0.0002452200000000, 0.0004680900000000, -0.0005735000000000 ] - [ -0.0001687600000000, -0.0011882400000000, 0.0000557900000000 ] - [ 0.0006838400000000, 0.0002528800000000, 0.0003158100000000 ] - [ 0.1897858600000000, 0.1104349400000000, 0.0739041600000000 ] - [ -0.0002244600000000, 0.0003065100000000, -0.0003027700000000 ] - [ -0.0002106000000000, 0.0001967600000000, -0.0003247100000000 ] - [ 0.0003364100000000, 0.0003244200000000, 0.0005584300000000 ] - [ 0.0002688000000000, 0.0004831800000000, 0.0002817900000000 ] - [ -0.0001353000000000, -0.0001233700000000, 0.0004233900000000 ] - [ 0.0005031300000000, -0.0000952600000000, 0.0000156300000000 ] - [ -0.0000315700000000, -0.0000196500000000, -0.0000924400000000 ] - [ 0.0003012100000000, -0.0004033100000000, -0.0009342600000000 ] - [ -0.0011579100000000, -0.0011131000000000, -0.0004178700000000 ] - [ 0.0018170400000000, -0.0016843000000000, -0.0028090600000000 ] - [ -0.0005147900000000, -0.0003152300000000, 0.0002528600000000 ] - [ 0.0001145200000000, -0.0006763200000000, 0.0001620800000000 ] - [ -0.0005269500000000, -0.0000549400000000, 0.0000008300000000 ] - [ 0.0004880300000000, 0.0001119100000000, -0.0007196200000000 ] - [ 0.0001481700000000, 0.0001432600000000, -0.0005832400000000 ] - [ 0.0005921400000000, 0.0000836700000000, -0.0002443500000000 ] - [ -0.0003552800000000, 0.0001291400000000, 0.0004296100000000 ] - [ -0.0005932600000000, -0.0005957700000000, -0.0005158800000000 ] - [ -0.0004738300000000, -0.0006031700000000, -0.0003187000000000 ] - [ -0.0006076500000000, -0.0004841000000000, -0.0003243700000000 ] - [ -0.0011044100000000, 0.0002671500000000, -0.0004529900000000 ] - [ -0.0008748900000000, 0.0003446900000000, -0.0002656200000000 ] - [ -0.0009188300000000, 0.0006967500000000, 0.0007681700000000 ] - [ 0.0008977000000000, 0.0001697100000000, -0.0010370700000000 ] - [ -0.0002249300000000, -0.0002868400000000, 0.0006734100000000 ] - [ -0.0003046000000000, -0.0004957400000000, 0.0002596800000000 ] - [ -0.0011343900000000, 0.0007533600000000, 0.0004218600000000 ] - [ -0.0002141900000000, 0.0008466000000000, -0.0001872000000000 ] - [ -0.0000076300000000, -0.0000057300000000, 0.0009344800000000 ] - [ 0.0001786500000000, -0.0001676000000000, -0.0003126600000000 ] - [ -0.0009523200000000, 0.0010323900000000, 0.0011311000000000 ] - [ 0.0007649700000000, 0.0002651900000000, 0.0004511400000000 ] - [ -0.0002117600000000, -0.0010183500000000, 0.0001848400000000 ] - [ -0.0014681000000000, 0.0007378500000000, 0.0023973900000000 ] - [ 0.0005271000000000, -0.0004715000000000, 0.0004232400000000 ] - [ -0.0013621600000000, -0.0000937100000000, -0.0000142800000000 ] - [ 0.0005016600000000, 0.0002644100000000, 0.0002739500000000 ] - [ -0.0004195500000000, -0.0004243000000000, -0.0006161000000000 ] - [ -0.0020581200000000, 0.0019527300000000, -0.0030057400000000 ] - [ -0.0003862600000000, 0.0003975100000000, -0.0008867800000000 ] - [ 0.0003406700000000, 0.0002826300000000, 0.0005294300000000 ] - [ 0.0002623400000000, 0.0007025300000000, 0.0003076500000000 ] - [ -0.0001368700000000, -0.0001201800000000, 0.0014393100000000 ] - [ 0.0016964000000000, -0.0011834400000000, -0.0000580400000000 ] - [ -0.0000275900000000, -0.0000178600000000, 0.0000970400000000 ] - [ -0.0003933800000000, 0.0002965800000000, -0.0009330900000000 ] - [ -0.0001030300000000, -0.0013822000000000, -0.0000238000000000 ] - [ 0.0003246700000000, -0.0002203400000000, -0.0003006200000000 ] - [ -0.0006967500000000, -0.0003031200000000, 0.0002941600000000 ] - [ 0.0010596800000000, -0.0010886800000000, 0.0012908200000000 ] - [ -0.0000567100000000, -0.0005608900000000, -0.0000015200000000 ] - [ -0.0004511700000000, 0.0005244800000000, 0.0004037200000000 ] - [ 0.1837981000000000, 0.1016562100000000, -0.0682517900000000 ] - [ 0.0002928500000000, 0.0009876400000000, -0.0011552400000000 ] - [ 0.0007000900000000, -0.0009276600000000, 0.0007692800000000 ] - [ -0.0005931900000000, -0.0005956000000000, -0.0013498200000000 ] - [ -0.0004307600000000, -0.0006834800000000, -0.0004168300000000 ] - [ -0.0001439600000000, 0.0005672900000000, 0.0000706400000000 ] - [ -0.0009081800000000, -0.0000745800000000, 0.0000912400000000 ] - [ -0.0006853700000000, 0.0002854500000000, -0.0003154800000000 ] - [ -0.0003087900000000, 0.0002491400000000, 0.0005978100000000 ] - [ 0.0010824500000000, 0.0009349500000000, -0.0007446900000000 ] - [ -0.0009562800000000, -0.0009566700000000, 0.0010272600000000 ] - [ -0.0003576300000000, -0.0008880600000000, 0.0004256600000000 ] - [ 0.0000325300000000, 0.0007711500000000, -0.0000150800000000 ] - [ -0.0000707400000000, 0.0009611500000000, -0.0000860400000000 ] - [ -0.0001712500000000, -0.0001703800000000, 0.0009329900000000 ] - [ 0.0003161200000000, -0.0002557700000000, -0.0005993600000000 ] - [ -0.0005324400000000, 0.0001128600000000, 0.0002006900000000 ] - [ 0.0009600100000000, -0.0000741400000000, -0.0000905100000000 ] - [ -0.0000714000000000, -0.0009075200000000, 0.0000862600000000 ] - [ 0.0002943800000000, -0.0007020500000000, -0.0003261200000000 ] - [ 0.0003125900000000, 0.0003151200000000, -0.0003215100000000 ] - [ -0.0010725900000000, 0.0000211100000000, 0.0000038500000000 ] - [ 0.0003266400000000, 0.0002143400000000, 0.0001459100000000 ] - [ -0.0003556700000000, -0.0002559800000000, -0.0006023800000000 ] - [ -0.0002738000000000, 0.0004966800000000, -0.0002417200000000 ] - [ -0.0002494300000000, 0.0003105300000000, -0.0005973800000000 ] - [ -0.0003867600000000, -0.0003871100000000, 0.0001713800000000 ] - [ 0.0002081700000000, 0.0003103500000000, 0.0001398500000000 ] - [ -0.0000049000000000, -0.0000066000000000, 0.0009171800000000 ] - [ 0.0010894700000000, 0.0000230800000000, -0.0000189600000000 ] - [ 0.0002623800000000, 0.0000781900000000, -0.0001490600000000 ] - [ -0.0000002300000000, -0.0000069900000000, -0.0009341700000000 ] - [ 0.0000338500000000, -0.0007485400000000, 0.0000229100000000 ] - [ 0.0005129700000000, -0.0002832700000000, -0.0002527500000000 ] - [ -0.0008733100000000, -0.0003552000000000, 0.0004225400000000 ] - [ 0.0009831400000000, -0.0010655700000000, 0.0009242500000000 ] - [ 0.0013257000000000, 0.0012902100000000, 0.0000460300000000 ] - [ -0.0004467400000000, 0.0006658400000000, 0.0003645200000000 ] - [ 0.0002882600000000, 0.0001837700000000, -0.0005935100000000 ] - [ 0.0005139200000000, 0.0001142700000000, -0.0001381200000000 ] - [ 0.0003126000000000, -0.0002145400000000, 0.0005963900000000 ] - [ 0.0000171500000000, 0.0000268600000000, -0.0009583900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003888000000000, 0.0001601800000000, -0.0006661500000000 ] - [ -0.0002236600000000, 0.0002236600000000, -0.0001672300000000 ] - [ 0.0002402200000000, -0.0002402200000000, 0.0000941500000000 ] - [ -0.0001128000000000, -0.0001128000000000, 0.0000178400000000 ] - [ 0.0001128000000000, 0.0001128000000000, 0.0000178400000000 ] - [ -0.0016034700000000, 0.0016034700000000, -0.0030361700000000 ] - [ -0.0002402200000000, 0.0002402200000000, 0.0000941500000000 ] - [ -0.0001601800000000, -0.0003888000000000, -0.0006661500000000 ] - [ -0.0005313700000000, -0.0005313700000000, 0.0008312800000000 ] - [ 0.0000519600000000, -0.0000019600000000, 0.0004457500000000 ] - [ -0.0002657600000000, -0.0002021100000000, 0.0003385100000000 ] - [ 0.0001355500000000, -0.0003137700000000, -0.0004816400000000 ] - [ -0.0001355500000000, 0.0003137700000000, -0.0004816400000000 ] - [ -0.0000019600000000, 0.0000519600000000, 0.0004457500000000 ] - [ 0.0002657600000000, 0.0002021100000000, 0.0003385100000000 ] - [ 0.0001387700000000, 0.0001387700000000, 0.0003584100000000 ] - [ -0.0001387700000000, -0.0001387700000000, 0.0003584100000000 ] - [ 0.0000019600000000, -0.0000519600000000, 0.0004457500000000 ] - [ 0.0002021100000000, 0.0002657600000000, 0.0003385100000000 ] - [ -0.0003137700000000, 0.0001355500000000, -0.0004816400000000 ] - [ 0.0003137700000000, -0.0001355500000000, -0.0004816400000000 ] - [ -0.0000519600000000, 0.0000019600000000, 0.0004457500000000 ] - [ -0.0002021100000000, -0.0002657600000000, 0.0003385100000000 ] - [ 0.0005313700000000, 0.0005313700000000, 0.0008312800000000 ] - [ 0.0001601800000000, 0.0003888000000000, -0.0006661500000000 ] - [ 0.0016034700000000, -0.0016034700000000, -0.0030361700000000 ] - [ -0.0038073100000000, 0.0038073100000000, 0.0102909500000000 ] - [ 0.0007702200000000, 0.0007702200000000, 0.0014059500000000 ] - [ -0.0007702200000000, -0.0007702200000000, 0.0014059500000000 ] - [ 0.0002236600000000, -0.0002236600000000, -0.0001672300000000 ] - [ 0.0038073100000000, -0.0038073100000000, 0.0102909500000000 ] - [ -0.0003888000000000, -0.0001601800000000, -0.0006661500000000 ] - [ 0.0005850600000000, -0.0000269800000000, 0.0010442700000000 ] - [ -0.0171947700000000, -0.0171947700000000, -0.0081842800000000 ] - [ 0.0004778500000000, -0.0004778500000000, 0.0025053500000000 ] - [ -0.0004778500000000, 0.0004778500000000, 0.0025053500000000 ] - [ -0.0006478500000000, -0.0006478500000000, -0.0007689600000000 ] - [ 0.0000269800000000, -0.0005850600000000, 0.0010442700000000 ] - [ -0.0003146200000000, -0.0005688300000000, -0.0007358700000000 ] - [ 0.0003146200000000, 0.0005688300000000, -0.0007358700000000 ] - [ 0.0171947700000000, 0.0171947700000000, -0.0081842800000000 ] - [ -0.0005850600000000, 0.0000269800000000, 0.0010442700000000 ] - [ 0.0005688300000000, 0.0003146200000000, -0.0007358700000000 ] - [ -0.0005688300000000, -0.0003146200000000, -0.0007358700000000 ] - [ -0.0000269800000000, 0.0005850600000000, 0.0010442700000000 ] - [ 0.0006478500000000, 0.0006478500000000, -0.0007689600000000 ] - [ -0.0001864300000000, 0.0001864300000000, 0.0004820700000000 ] - [ 0.0001864300000000, -0.0001864300000000, 0.0004820700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.6823702900000000 ] - [ -0.0000298400000000, 0.0000298400000000, 0.0010099300000000 ] - [ -0.0006273700000000, -0.0001905400000000, 0.0006040700000000 ] - [ 0.0002256800000000, -0.0000664600000000, 0.0001908500000000 ] - [ -0.0007848400000000, 0.0007848400000000, 0.0001046600000000 ] - [ -0.0038857900000000, 0.0006614000000000, 0.0002557500000000 ] - [ 0.0000664600000000, -0.0002256800000000, 0.0001908500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020128200000000 ] - [ -0.0006614000000000, 0.0038857900000000, 0.0002557500000000 ] - [ 0.0001905400000000, 0.0006273700000000, 0.0006040700000000 ] - [ 0.0038857900000000, -0.0006614000000000, 0.0002557500000000 ] - [ 0.0006614000000000, -0.0038857900000000, 0.0002557500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006380500000000 ] - [ -0.0004487200000000, -0.0004487200000000, 0.0027334300000000 ] - [ 0.0002618500000000, -0.0001907600000000, -0.0002219900000000 ] - [ 0.0003851700000000, -0.0010911700000000, -0.0005667200000000 ] - [ 0.0000091800000000, 0.0000091800000000, 0.0001015700000000 ] - [ 0.0000797900000000, -0.0000406600000000, -0.0000391700000000 ] - [ -0.0001907600000000, 0.0002618500000000, -0.0002219900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005382100000000 ] - [ -0.0002491400000000, 0.0016858300000000, -0.0000011200000000 ] - [ -0.0010911700000000, 0.0003851700000000, -0.0005667200000000 ] - [ -0.0000797900000000, 0.0000406600000000, -0.0000391700000000 ] - [ 0.0002491400000000, -0.0016858300000000, -0.0000011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006380500000000 ] - [ 0.0004487200000000, 0.0004487200000000, 0.0027334300000000 ] - [ -0.0003851700000000, 0.0010911700000000, -0.0005667200000000 ] - [ -0.0002618500000000, 0.0001907600000000, -0.0002219900000000 ] - [ -0.0000091800000000, -0.0000091800000000, 0.0001015700000000 ] - [ -0.0016858300000000, 0.0002491400000000, -0.0000011200000000 ] - [ 0.0010911700000000, -0.0003851700000000, -0.0005667200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005382100000000 ] - [ 0.0000406600000000, -0.0000797900000000, -0.0000391700000000 ] - [ 0.0001907600000000, -0.0002618500000000, -0.0002219900000000 ] - [ 0.0016858300000000, -0.0002491400000000, -0.0000011200000000 ] - [ -0.0000406600000000, 0.0000797900000000, -0.0000391700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006123300000000 ] - [ 0.0000298400000000, -0.0000298400000000, 0.0010099300000000 ] - [ -0.0002256800000000, 0.0000664600000000, 0.0001908500000000 ] - [ 0.0006273700000000, 0.0001905400000000, 0.0006040700000000 ] - [ 0.0007848400000000, -0.0007848400000000, 0.0001046600000000 ] - [ 0.0000798800000000, 0.0001036800000000, 0.0001041500000000 ] - [ -0.0001905400000000, -0.0006273700000000, 0.0006040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003904300000000 ] - [ -0.0001036800000000, -0.0000798800000000, 0.0001041500000000 ] - [ -0.0000664600000000, 0.0002256800000000, 0.0001908500000000 ] - [ -0.0000798800000000, -0.0001036800000000, 0.0001041500000000 ] - [ 0.0001036800000000, 0.0000798800000000, 0.0001041500000000 ] - [ 0.0001090900000000, 0.0002638900000000, -0.0006903800000000 ] - [ -0.0006340300000000, -0.0002231700000000, -0.0003416800000000 ] - [ -0.0035400800000000, -0.0007146200000000, -0.0005822800000000 ] - [ -0.0005858200000000, 0.0005284100000000, -0.0008160200000000 ] - [ -0.0000521000000000, 0.0000521000000000, -0.0003473300000000 ] - [ 0.0002231700000000, 0.0006340300000000, -0.0003416800000000 ] - [ -0.0004398100000000, -0.0004398100000000, -0.0001041500000000 ] - [ 0.0002126600000000, -0.0015056800000000, 0.0025760600000000 ] - [ 0.0003203400000000, 0.0010560200000000, -0.0003695600000000 ] - [ 0.0007146200000000, 0.0035400800000000, -0.0005822800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3197805600000000 ] - [ 0.0007411900000000, -0.0007411900000000, -0.0007898300000000 ] - [ 0.0009701600000000, -0.0009371800000000, -0.0006960600000000 ] - [ 0.0035400800000000, 0.0007146200000000, -0.0005822800000000 ] - [ -0.0007146200000000, -0.0035400800000000, -0.0005822800000000 ] - [ 0.0005284100000000, -0.0005858200000000, -0.0008160200000000 ] - [ 0.0006145400000000, -0.0002519800000000, 0.0002121100000000 ] - [ -0.0010560200000000, -0.0003203400000000, -0.0003695600000000 ] - [ 0.0015056800000000, -0.0002126600000000, 0.0025760600000000 ] - [ -0.0003415300000000, -0.0003399000000000, -0.0009289500000000 ] - [ -0.0005284100000000, 0.0005858200000000, -0.0008160200000000 ] - [ -0.0007411900000000, 0.0007411900000000, -0.0007898300000000 ] - [ 0.0004398100000000, 0.0004398100000000, -0.0001041500000000 ] - [ -0.0002126600000000, 0.0015056800000000, 0.0025760600000000 ] - [ 0.0002539400000000, -0.0002539400000000, 0.0008066500000000 ] - [ 0.0008629500000000, 0.0001473400000000, -0.0001603600000000 ] - [ 0.0013554200000000, -0.0013554200000000, 0.0022085200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023492800000000 ] - [ -0.0001473400000000, -0.0008629500000000, -0.0001603600000000 ] - [ 0.0005858200000000, -0.0005284100000000, -0.0008160200000000 ] - [ -0.0015056800000000, 0.0002126600000000, 0.0025760600000000 ] - [ 0.0002519800000000, -0.0006145400000000, 0.0002121100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001892900000000 ] - [ 0.0009371800000000, -0.0009701600000000, -0.0006960600000000 ] - [ 0.0003399000000000, 0.0003415300000000, -0.0009289500000000 ] - [ -0.0002638900000000, -0.0001090900000000, -0.0006903800000000 ] - [ 0.0002547900000000, -0.0002547900000000, 0.0004262500000000 ] - [ 0.0000962000000000, -0.0000962000000000, -0.0015833800000000 ] - [ -0.0003823400000000, 0.0007831800000000, -0.0000973400000000 ] - [ 0.0007831800000000, -0.0003823400000000, -0.0000973400000000 ] - [ -0.0008579500000000, -0.0000052900000000, -0.0000085900000000 ] - [ -0.0001305000000000, -0.0008583000000000, 0.0008328600000000 ] - [ -0.0003538200000000, 0.0003192300000000, 0.0008633100000000 ] - [ 0.0004235100000000, 0.0006714100000000, -0.0002780000000000 ] - [ 0.0001147600000000, -0.0004968400000000, 0.0000980700000000 ] - [ -0.0001917600000000, -0.0006484000000000, 0.0000766000000000 ] - [ -0.0001606900000000, 0.0010554000000000, 0.0001817200000000 ] - [ -0.0001701200000000, 0.0021305000000000, 0.0001015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004499500000000 ] - [ 0.0002297400000000, -0.0003743400000000, -0.0006114900000000 ] - [ -0.0006622300000000, 0.0003003500000000, 0.0003324200000000 ] - [ 0.0008579500000000, 0.0000052900000000, -0.0000085900000000 ] - [ 0.0001701200000000, -0.0021305000000000, 0.0001015800000000 ] - [ 0.0001289100000000, -0.0005187300000000, -0.0000264600000000 ] - [ -0.0001489900000000, -0.0002554200000000, -0.0001884800000000 ] - [ -0.0005938000000000, 0.0005755200000000, 0.0018967200000000 ] - [ 0.0003864200000000, 0.0000095700000000, -0.0002481400000000 ] - [ 0.0758034900000000, 0.0758034900000000, 0.1754351400000000 ] - [ -0.0001289100000000, 0.0005187300000000, -0.0000264600000000 ] - [ -0.0002297400000000, 0.0003743400000000, -0.0006114900000000 ] - [ -0.0001147600000000, 0.0004968400000000, 0.0000980700000000 ] - [ 0.0001917600000000, 0.0006484000000000, 0.0000766000000000 ] - [ -0.0000674100000000, -0.0000674100000000, 0.0008662900000000 ] - [ 0.0010554000000000, -0.0001606900000000, 0.0001817200000000 ] - [ 0.0003265000000000, 0.0003265000000000, -0.0008750400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005175700000000 ] - [ 0.0005755200000000, -0.0005938000000000, 0.0018967200000000 ] - [ 0.0001305000000000, 0.0008583000000000, 0.0008328600000000 ] - [ -0.0003864200000000, -0.0000095700000000, -0.0002481400000000 ] - [ 0.0003003500000000, -0.0006622300000000, 0.0003324200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002193100000000 ] - [ -0.0002554200000000, -0.0001489900000000, -0.0001884800000000 ] - [ 0.0002432300000000, 0.0002432300000000, -0.0003052200000000 ] - [ 0.0006714100000000, 0.0004235100000000, -0.0002780000000000 ] - [ 0.0003192300000000, -0.0003538200000000, 0.0008633100000000 ] - [ 0.0019673800000000, 0.0019673800000000, -0.0028542300000000 ] - [ -0.0004235100000000, -0.0006714100000000, -0.0002780000000000 ] - [ -0.0006714100000000, -0.0004235100000000, -0.0002780000000000 ] - [ -0.0021305000000000, 0.0001701200000000, 0.0001015800000000 ] - [ -0.0005187300000000, 0.0001289100000000, -0.0000264600000000 ] - [ -0.0003192300000000, 0.0003538200000000, 0.0008633100000000 ] - [ 0.0003823400000000, -0.0007831800000000, -0.0000973400000000 ] - [ -0.0004968400000000, 0.0001147600000000, 0.0000980700000000 ] - [ -0.0000095700000000, -0.0003864200000000, -0.0002481400000000 ] - [ -0.0005755200000000, 0.0005938000000000, 0.0018967200000000 ] - [ 0.0000052900000000, 0.0008579500000000, -0.0000085900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004499500000000 ] - [ 0.0003743400000000, -0.0002297400000000, -0.0006114900000000 ] - [ 0.0001489900000000, 0.0002554200000000, -0.0001884800000000 ] - [ 0.0021305000000000, -0.0001701200000000, 0.0001015800000000 ] - [ -0.0000052900000000, -0.0008579500000000, -0.0000085900000000 ] - [ -0.0008583000000000, -0.0001305000000000, 0.0008328600000000 ] - [ 0.0006622300000000, -0.0003003500000000, 0.0003324200000000 ] - [ -0.0010554000000000, 0.0001606900000000, 0.0001817200000000 ] - [ 0.0006484000000000, 0.0001917600000000, 0.0000766000000000 ] - [ -0.0002432300000000, -0.0002432300000000, -0.0003052200000000 ] - [ 0.0008583000000000, 0.0001305000000000, 0.0008328600000000 ] - [ -0.0003743400000000, 0.0002297400000000, -0.0006114900000000 ] - [ 0.0004968400000000, -0.0001147600000000, 0.0000980700000000 ] - [ 0.0000095700000000, 0.0003864200000000, -0.0002481400000000 ] - [ 0.0000674100000000, 0.0000674100000000, 0.0008662900000000 ] - [ 0.0005938000000000, -0.0005755200000000, 0.0018967200000000 ] - [ -0.0003265000000000, -0.0003265000000000, -0.0008750400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005175700000000 ] - [ 0.0001606900000000, -0.0010554000000000, 0.0001817200000000 ] - [ 0.0005187300000000, -0.0001289100000000, -0.0000264600000000 ] - [ -0.0006484000000000, -0.0001917600000000, 0.0000766000000000 ] - [ 0.0002554200000000, 0.0001489900000000, -0.0001884800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002193100000000 ] - [ -0.0003003500000000, 0.0006622300000000, 0.0003324200000000 ] - [ -0.0758034900000000, -0.0758034900000000, 0.1754351400000000 ] - [ -0.0007831800000000, 0.0003823400000000, -0.0000973400000000 ] - [ 0.0003538200000000, -0.0003192300000000, 0.0008633100000000 ] - [ -0.0019673800000000, -0.0019673800000000, -0.0028542300000000 ] - [ -0.0002231700000000, -0.0006340300000000, -0.0003416800000000 ] - [ 0.0002638900000000, 0.0001090900000000, -0.0006903800000000 ] - [ -0.0008567000000000, 0.0000406700000000, -0.0000342600000000 ] - [ -0.0006739700000000, 0.0003862900000000, -0.0004931100000000 ] - [ -0.0002547900000000, 0.0002547900000000, 0.0004262500000000 ] - [ -0.0001090900000000, -0.0002638900000000, -0.0006903800000000 ] - [ 0.0004450000000000, 0.0004450000000000, -0.0005763800000000 ] - [ -0.0003872000000000, -0.0005387700000000, 0.0004999600000000 ] - [ 0.0001473400000000, 0.0008629500000000, -0.0001603600000000 ] - [ -0.0000406700000000, 0.0008567000000000, -0.0000342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013593400000000 ] - [ -0.0001734200000000, 0.0001734200000000, -0.0003692600000000 ] - [ -0.0006145400000000, 0.0002519800000000, 0.0002121100000000 ] - [ 0.0008567000000000, -0.0000406700000000, -0.0000342600000000 ] - [ 0.0000406700000000, -0.0008567000000000, -0.0000342600000000 ] - [ 0.0003862900000000, -0.0006739700000000, -0.0004931100000000 ] - [ -0.0009701600000000, 0.0009371800000000, -0.0006960600000000 ] - [ -0.0008629500000000, -0.0001473400000000, -0.0001603600000000 ] - [ 0.0005387700000000, 0.0003872000000000, 0.0004999600000000 ] - [ -0.0003399000000000, -0.0003415300000000, -0.0009289500000000 ] - [ -0.0003862900000000, 0.0006739700000000, -0.0004931100000000 ] - [ 0.0001734200000000, -0.0001734200000000, -0.0003692600000000 ] - [ -0.0004450000000000, -0.0004450000000000, -0.0005763800000000 ] - [ 0.0003872000000000, 0.0005387700000000, 0.0004999600000000 ] - [ -0.0002539400000000, 0.0002539400000000, 0.0008066500000000 ] - [ 0.0010560200000000, 0.0003203400000000, -0.0003695600000000 ] - [ -0.0013554200000000, 0.0013554200000000, 0.0022085200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011943100000000 ] - [ -0.0003203400000000, -0.0010560200000000, -0.0003695600000000 ] - [ 0.0006739700000000, -0.0003862900000000, -0.0004931100000000 ] - [ -0.0005387700000000, -0.0003872000000000, 0.0004999600000000 ] - [ -0.0009371800000000, 0.0009701600000000, -0.0006960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022483400000000 ] - [ -0.0002519800000000, 0.0006145400000000, 0.0002121100000000 ] - [ 0.0003415300000000, 0.0003399000000000, -0.0009289500000000 ] - [ 0.0006340300000000, 0.0002231700000000, -0.0003416800000000 ] - [ 0.0000521000000000, -0.0000521000000000, -0.0003473300000000 ] - [ -0.0000962000000000, 0.0000962000000000, -0.0015833800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006399300000000, -0.0004135000000000, 0.0009209600000000 ] - [ 0.0004767000000000, -0.0004767000000000, -0.0000853300000000 ] - [ 0.0000113600000000, -0.0000113600000000, 0.0001573200000000 ] - [ -0.0001394800000000, -0.0001394800000000, -0.0002702600000000 ] - [ 0.0001394800000000, 0.0001394800000000, -0.0002702600000000 ] - [ 0.0013504400000000, -0.0013504400000000, 0.0027771900000000 ] - [ -0.0000113600000000, 0.0000113600000000, 0.0001573200000000 ] - [ 0.0004135000000000, 0.0006399300000000, 0.0009209600000000 ] - [ 0.0002777900000000, 0.0002777900000000, -0.0005785100000000 ] - [ 0.0001997700000000, -0.0002502800000000, -0.0006968000000000 ] - [ 0.0005174900000000, -0.0000479500000000, -0.0000881500000000 ] - [ -0.0003864100000000, 0.0000642600000000, 0.0002335200000000 ] - [ 0.0003864100000000, -0.0000642600000000, 0.0002335200000000 ] - [ -0.0002502800000000, 0.0001997700000000, -0.0006968000000000 ] - [ -0.0005174900000000, 0.0000479500000000, -0.0000881500000000 ] - [ 0.0001122800000000, 0.0001122800000000, -0.0001077600000000 ] - [ -0.0001122800000000, -0.0001122800000000, -0.0001077600000000 ] - [ 0.0002502800000000, -0.0001997700000000, -0.0006968000000000 ] - [ 0.0000479500000000, -0.0005174900000000, -0.0000881500000000 ] - [ 0.0000642600000000, -0.0003864100000000, 0.0002335200000000 ] - [ -0.0000642600000000, 0.0003864100000000, 0.0002335200000000 ] - [ -0.0001997700000000, 0.0002502800000000, -0.0006968000000000 ] - [ -0.0000479500000000, 0.0005174900000000, -0.0000881500000000 ] - [ -0.0002777900000000, -0.0002777900000000, -0.0005785100000000 ] - [ -0.0004135000000000, -0.0006399300000000, 0.0009209600000000 ] - [ -0.0013504400000000, 0.0013504400000000, 0.0027771900000000 ] - [ 0.0040113500000000, -0.0040113500000000, -0.0099733600000000 ] - [ -0.0010156200000000, -0.0010156200000000, -0.0016526400000000 ] - [ 0.0010156200000000, 0.0010156200000000, -0.0016526400000000 ] - [ -0.0004767000000000, 0.0004767000000000, -0.0000853300000000 ] - [ -0.0040113500000000, 0.0040113500000000, -0.0099733600000000 ] - [ 0.0006399300000000, 0.0004135000000000, 0.0009209600000000 ] - [ -0.0005846800000000, 0.0000242000000000, -0.0010463600000000 ] - [ 0.0173646800000000, 0.0173646800000000, 0.0082119600000000 ] - [ -0.0004817300000000, 0.0004817300000000, -0.0025122500000000 ] - [ 0.0004817300000000, -0.0004817300000000, -0.0025122500000000 ] - [ 0.0006487300000000, 0.0006487300000000, 0.0007704200000000 ] - [ -0.0000242000000000, 0.0005846800000000, -0.0010463600000000 ] - [ 0.0003163000000000, 0.0005720000000000, 0.0007315000000000 ] - [ -0.0003163000000000, -0.0005720000000000, 0.0007315000000000 ] - [ -0.0173646800000000, -0.0173646800000000, 0.0082119600000000 ] - [ 0.0005846800000000, -0.0000242000000000, -0.0010463600000000 ] - [ -0.0005720000000000, -0.0003163000000000, 0.0007315000000000 ] - [ 0.0005720000000000, 0.0003163000000000, 0.0007315000000000 ] - [ 0.0000242000000000, -0.0005846800000000, -0.0010463600000000 ] - [ -0.0006487300000000, -0.0006487300000000, 0.0007704200000000 ] - [ 0.0001870400000000, -0.0001870400000000, -0.0004821100000000 ] - [ -0.0001870400000000, 0.0001870400000000, -0.0004821100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.7100456300000000 ] - [ 0.0000308200000000, -0.0000308200000000, -0.0009452300000000 ] - [ 0.0006290500000000, 0.0001215300000000, -0.0006057500000000 ] - [ -0.0002258300000000, 0.0001353100000000, -0.0001911400000000 ] - [ 0.0007881400000000, -0.0007881400000000, -0.0001725200000000 ] - [ 0.0038391800000000, -0.0006591000000000, -0.0002506600000000 ] - [ -0.0001353100000000, 0.0002258300000000, -0.0001911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019453800000000 ] - [ 0.0006591000000000, -0.0038391800000000, -0.0002506600000000 ] - [ -0.0001215300000000, -0.0006290500000000, -0.0006057500000000 ] - [ -0.0038391800000000, 0.0006591000000000, -0.0002506600000000 ] - [ -0.0006591000000000, 0.0038391800000000, -0.0002506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007089500000000 ] - [ 0.0004378000000000, 0.0004378000000000, -0.0026710500000000 ] - [ -0.0002626300000000, 0.0001216100000000, 0.0002228000000000 ] - [ -0.0003883400000000, 0.0011578000000000, 0.0005413000000000 ] - [ -0.0000091400000000, -0.0000091400000000, -0.0001747300000000 ] - [ -0.0001490800000000, 0.0000397800000000, 0.0000383300000000 ] - [ 0.0001216100000000, -0.0002626300000000, 0.0002228000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006077600000000 ] - [ 0.0002540400000000, -0.0016112700000000, -0.0000027200000000 ] - [ 0.0011578000000000, -0.0003883400000000, 0.0005413000000000 ] - [ 0.0001490800000000, -0.0000397800000000, 0.0000383300000000 ] - [ -0.0002540400000000, 0.0016112700000000, -0.0000027200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007089500000000 ] - [ -0.0004378000000000, -0.0004378000000000, -0.0026710500000000 ] - [ 0.0003883400000000, -0.0011578000000000, 0.0005413000000000 ] - [ 0.0002626300000000, -0.0001216100000000, 0.0002228000000000 ] - [ 0.0000091400000000, 0.0000091400000000, -0.0001747300000000 ] - [ 0.0016112700000000, -0.0002540400000000, -0.0000027200000000 ] - [ -0.0011578000000000, 0.0003883400000000, 0.0005413000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006077600000000 ] - [ -0.0000397800000000, 0.0001490800000000, 0.0000383300000000 ] - [ -0.0001216100000000, 0.0002626300000000, 0.0002228000000000 ] - [ -0.0016112700000000, 0.0002540400000000, -0.0000027200000000 ] - [ 0.0000397800000000, -0.0001490800000000, 0.0000383300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005438500000000 ] - [ -0.0000308200000000, 0.0000308200000000, -0.0009452300000000 ] - [ 0.0002258300000000, -0.0001353100000000, -0.0001911400000000 ] - [ -0.0006290500000000, -0.0001215300000000, -0.0006057500000000 ] - [ -0.0007881400000000, 0.0007881400000000, -0.0001725200000000 ] - [ -0.0001493600000000, -0.0001031200000000, -0.0001034900000000 ] - [ 0.0001215300000000, 0.0006290500000000, -0.0006057500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003217900000000 ] - [ 0.0001031200000000, 0.0001493600000000, -0.0001034900000000 ] - [ 0.0001353100000000, -0.0002258300000000, -0.0001911400000000 ] - [ 0.0001493600000000, 0.0001031200000000, -0.0001034900000000 ] - [ -0.0001031200000000, -0.0001493600000000, -0.0001034900000000 ] - [ -0.0006714100000000, -0.0014567200000000, 0.0001245800000000 ] - [ -0.0005636400000000, -0.0003432900000000, -0.0002242700000000 ] - [ 0.0016904000000000, 0.0007244700000000, 0.0005820800000000 ] - [ -0.0006109000000000, 0.0000367200000000, 0.0002505900000000 ] - [ -0.0005138700000000, 0.0005138700000000, 0.0015446500000000 ] - [ 0.0003432900000000, 0.0005636400000000, -0.0002242700000000 ] - [ -0.0001334500000000, -0.0001334500000000, 0.0012901100000000 ] - [ -0.0007985000000000, 0.0003189900000000, -0.0020213600000000 ] - [ -0.0003212900000000, 0.0008125500000000, 0.0003703200000000 ] - [ -0.0007244700000000, -0.0016904000000000, 0.0005820800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3529202200000000 ] - [ -0.0001772500000000, 0.0001772500000000, -0.0004065000000000 ] - [ -0.0021743800000000, 0.0015066900000000, 0.0012630200000000 ] - [ -0.0016904000000000, -0.0007244700000000, 0.0005820800000000 ] - [ 0.0007244700000000, 0.0016904000000000, 0.0005820800000000 ] - [ 0.0000367200000000, -0.0006109000000000, 0.0002505900000000 ] - [ 0.0005828900000000, -0.0003138800000000, 0.0003534600000000 ] - [ -0.0008125500000000, 0.0003212900000000, 0.0003703200000000 ] - [ -0.0003189900000000, 0.0007985000000000, -0.0020213600000000 ] - [ -0.0002242700000000, -0.0002256400000000, -0.0002679000000000 ] - [ -0.0000367200000000, 0.0006109000000000, 0.0002505900000000 ] - [ 0.0001772500000000, -0.0001772500000000, -0.0004065000000000 ] - [ 0.0001334500000000, 0.0001334500000000, 0.0012901100000000 ] - [ 0.0007985000000000, -0.0003189900000000, -0.0020213600000000 ] - [ -0.0002550600000000, 0.0002550600000000, 0.0010594300000000 ] - [ 0.0010059000000000, -0.0001474100000000, 0.0001603100000000 ] - [ -0.0013577000000000, 0.0013577000000000, -0.0022136000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004802700000000 ] - [ 0.0001474100000000, -0.0010059000000000, 0.0001603100000000 ] - [ 0.0006109000000000, -0.0000367200000000, 0.0002505900000000 ] - [ 0.0003189900000000, -0.0007985000000000, -0.0020213600000000 ] - [ 0.0003138800000000, -0.0005828900000000, 0.0003534600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001903800000000 ] - [ -0.0015066900000000, 0.0021743800000000, 0.0012630200000000 ] - [ 0.0002256400000000, 0.0002242700000000, -0.0002679000000000 ] - [ 0.0014567200000000, 0.0006714100000000, 0.0001245800000000 ] - [ 0.0003109700000000, -0.0003109700000000, 0.0007705300000000 ] - [ -0.0000970800000000, 0.0000970800000000, -0.0002806400000000 ] - [ -0.0001884500000000, -0.0019867000000000, -0.0004707600000000 ] - [ -0.0019867000000000, -0.0001884500000000, -0.0004707600000000 ] - [ -0.0010123800000000, 0.0000047200000000, 0.0000095900000000 ] - [ -0.0010628100000000, 0.0014235500000000, -0.0013831100000000 ] - [ -0.0002112100000000, 0.0002466300000000, 0.0003333300000000 ] - [ 0.0001424000000000, 0.0005261500000000, -0.0002887100000000 ] - [ -0.0006816200000000, -0.0000692000000000, 0.0011015100000000 ] - [ -0.0003744500000000, -0.0005488000000000, 0.0004901600000000 ] - [ 0.0001610300000000, 0.0008131300000000, -0.0001821000000000 ] - [ 0.0001706500000000, -0.0002572600000000, -0.0000999400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014187400000000 ] - [ 0.0003355100000000, -0.0001921200000000, -0.0005835300000000 ] - [ -0.0005356900000000, 0.0002672100000000, 0.0002355000000000 ] - [ 0.0010123800000000, -0.0000047200000000, 0.0000095900000000 ] - [ -0.0001706500000000, 0.0002572600000000, -0.0000999400000000 ] - [ 0.0004373200000000, -0.0006781200000000, -0.0005398800000000 ] - [ 0.0013462900000000, -0.0003118100000000, 0.0007577300000000 ] - [ -0.0012703900000000, -0.0005816700000000, -0.0019052600000000 ] - [ 0.0008107900000000, 0.0005579800000000, 0.0008150600000000 ] - [ -0.0710943900000000, -0.0710943900000000, -0.1730324300000000 ] - [ -0.0004373200000000, 0.0006781200000000, -0.0005398800000000 ] - [ -0.0003355100000000, 0.0001921200000000, -0.0005835300000000 ] - [ 0.0006816200000000, 0.0000692000000000, 0.0011015100000000 ] - [ 0.0003744500000000, 0.0005488000000000, 0.0004901600000000 ] - [ 0.0000676500000000, 0.0000676500000000, 0.0010058500000000 ] - [ 0.0008131300000000, 0.0001610300000000, -0.0001821000000000 ] - [ -0.0003249900000000, -0.0003249900000000, 0.0008752300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013499300000000 ] - [ -0.0005816700000000, -0.0012703900000000, -0.0019052600000000 ] - [ 0.0010628100000000, -0.0014235500000000, -0.0013831100000000 ] - [ -0.0008107900000000, -0.0005579800000000, 0.0008150600000000 ] - [ 0.0002672100000000, -0.0005356900000000, 0.0002355000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002218300000000 ] - [ -0.0003118100000000, 0.0013462900000000, 0.0007577300000000 ] - [ 0.0003232800000000, 0.0003232800000000, -0.0008926600000000 ] - [ 0.0005261500000000, 0.0001424000000000, -0.0002887100000000 ] - [ 0.0002466300000000, -0.0002112100000000, 0.0003333300000000 ] - [ -0.0019631100000000, -0.0019631100000000, 0.0009942000000000 ] - [ -0.0001424000000000, -0.0005261500000000, -0.0002887100000000 ] - [ -0.0005261500000000, -0.0001424000000000, -0.0002887100000000 ] - [ 0.0002572600000000, -0.0001706500000000, -0.0000999400000000 ] - [ -0.0006781200000000, 0.0004373200000000, -0.0005398800000000 ] - [ -0.0002466300000000, 0.0002112100000000, 0.0003333300000000 ] - [ 0.0001884500000000, 0.0019867000000000, -0.0004707600000000 ] - [ -0.0000692000000000, -0.0006816200000000, 0.0011015100000000 ] - [ -0.0005579800000000, -0.0008107900000000, 0.0008150600000000 ] - [ 0.0005816700000000, 0.0012703900000000, -0.0019052600000000 ] - [ -0.0000047200000000, 0.0010123800000000, 0.0000095900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014187400000000 ] - [ 0.0001921200000000, -0.0003355100000000, -0.0005835300000000 ] - [ -0.0013462900000000, 0.0003118100000000, 0.0007577300000000 ] - [ -0.0002572600000000, 0.0001706500000000, -0.0000999400000000 ] - [ 0.0000047200000000, -0.0010123800000000, 0.0000095900000000 ] - [ 0.0014235500000000, -0.0010628100000000, -0.0013831100000000 ] - [ 0.0005356900000000, -0.0002672100000000, 0.0002355000000000 ] - [ -0.0008131300000000, -0.0001610300000000, -0.0001821000000000 ] - [ 0.0005488000000000, 0.0003744500000000, 0.0004901600000000 ] - [ -0.0003232800000000, -0.0003232800000000, -0.0008926600000000 ] - [ -0.0014235500000000, 0.0010628100000000, -0.0013831100000000 ] - [ -0.0001921200000000, 0.0003355100000000, -0.0005835300000000 ] - [ 0.0000692000000000, 0.0006816200000000, 0.0011015100000000 ] - [ 0.0005579800000000, 0.0008107900000000, 0.0008150600000000 ] - [ -0.0000676500000000, -0.0000676500000000, 0.0010058500000000 ] - [ 0.0012703900000000, 0.0005816700000000, -0.0019052600000000 ] - [ 0.0003249900000000, 0.0003249900000000, 0.0008752300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013499300000000 ] - [ -0.0001610300000000, -0.0008131300000000, -0.0001821000000000 ] - [ 0.0006781200000000, -0.0004373200000000, -0.0005398800000000 ] - [ -0.0005488000000000, -0.0003744500000000, 0.0004901600000000 ] - [ 0.0003118100000000, -0.0013462900000000, 0.0007577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002218300000000 ] - [ -0.0002672100000000, 0.0005356900000000, 0.0002355000000000 ] - [ 0.0710943900000000, 0.0710943900000000, -0.1730324300000000 ] - [ 0.0019867000000000, 0.0001884500000000, -0.0004707600000000 ] - [ 0.0002112100000000, -0.0002466300000000, 0.0003333300000000 ] - [ 0.0019631100000000, 0.0019631100000000, 0.0009942000000000 ] - [ -0.0003432900000000, -0.0005636400000000, -0.0002242700000000 ] - [ -0.0014567200000000, -0.0006714100000000, 0.0001245800000000 ] - [ -0.0010115300000000, -0.0000405300000000, 0.0000342600000000 ] - [ -0.0005230800000000, 0.0001805300000000, -0.0000733200000000 ] - [ -0.0003109700000000, 0.0003109700000000, 0.0007705300000000 ] - [ 0.0006714100000000, 0.0014567200000000, 0.0001245800000000 ] - [ -0.0010087700000000, -0.0010087700000000, 0.0017752800000000 ] - [ -0.0001784600000000, -0.0006582100000000, 0.0000652600000000 ] - [ -0.0001474100000000, 0.0010059000000000, 0.0001603100000000 ] - [ 0.0000405300000000, 0.0010115300000000, 0.0000342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005074300000000 ] - [ 0.0007408500000000, -0.0007408500000000, -0.0008284200000000 ] - [ -0.0005828900000000, 0.0003138800000000, 0.0003534600000000 ] - [ 0.0010115300000000, 0.0000405300000000, 0.0000342600000000 ] - [ -0.0000405300000000, -0.0010115300000000, 0.0000342600000000 ] - [ 0.0001805300000000, -0.0005230800000000, -0.0000733200000000 ] - [ 0.0021743800000000, -0.0015066900000000, 0.0012630200000000 ] - [ -0.0010059000000000, 0.0001474100000000, 0.0001603100000000 ] - [ 0.0006582100000000, 0.0001784600000000, 0.0000652600000000 ] - [ -0.0002256400000000, -0.0002242700000000, -0.0002679000000000 ] - [ -0.0001805300000000, 0.0005230800000000, -0.0000733200000000 ] - [ -0.0007408500000000, 0.0007408500000000, -0.0008284200000000 ] - [ 0.0010087700000000, 0.0010087700000000, 0.0017752800000000 ] - [ 0.0001784600000000, 0.0006582100000000, 0.0000652600000000 ] - [ 0.0002550600000000, -0.0002550600000000, 0.0010594300000000 ] - [ 0.0008125500000000, -0.0003212900000000, 0.0003703200000000 ] - [ 0.0013577000000000, -0.0013577000000000, -0.0022136000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006755000000000 ] - [ 0.0003212900000000, -0.0008125500000000, 0.0003703200000000 ] - [ 0.0005230800000000, -0.0001805300000000, -0.0000733200000000 ] - [ -0.0006582100000000, -0.0001784600000000, 0.0000652600000000 ] - [ 0.0015066900000000, -0.0021743800000000, 0.0012630200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022595100000000 ] - [ -0.0003138800000000, 0.0005828900000000, 0.0003534600000000 ] - [ 0.0002242700000000, 0.0002256400000000, -0.0002679000000000 ] - [ 0.0005636400000000, 0.0003432900000000, -0.0002242700000000 ] - [ 0.0005138700000000, -0.0005138700000000, 0.0015446500000000 ] - [ 0.0000970800000000, -0.0000970800000000, -0.0002806400000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001023100000000, -0.0003432500000000, 0.0000714600000000 ] - [ 0.0000224600000000, -0.0003213200000000, -0.0001072300000000 ] - [ -0.0002449600000000, 0.0000631200000000, 0.0000490100000000 ] - [ -0.0005346400000000, -0.0001760300000000, -0.0001679500000000 ] - [ -0.0001170700000000, 0.0001081400000000, -0.0000605200000000 ] - [ -0.0000605800000000, 0.0000958900000000, -0.0001007600000000 ] - [ -0.0004623700000000, 0.0001418200000000, 0.0001937000000000 ] - [ 0.0000369000000000, 0.0001221700000000, 0.0000641700000000 ] - [ 0.0001592900000000, -0.0005354600000000, 0.0005761700000000 ] - [ -0.0000579200000000, -0.0000519300000000, -0.0000385100000000 ] - [ 0.0000420600000000, -0.0001064700000000, 0.0000562200000000 ] - [ -0.0002306100000000, -0.0001696900000000, -0.0001805700000000 ] - [ 0.0000055200000000, 0.0000737700000000, -0.0000767500000000 ] - [ 0.0001704200000000, 0.0000820800000000, -0.0000733200000000 ] - [ -0.0002472100000000, 0.0001797200000000, 0.0001364000000000 ] - [ -0.0001332400000000, 0.0000185600000000, 0.0004615600000000 ] - [ -0.0002331100000000, 0.0000328500000000, 0.0001572000000000 ] - [ 0.0002142000000000, 0.0000180800000000, -0.0002354500000000 ] - [ 0.0002118200000000, -0.0001641100000000, -0.0000506500000000 ] - [ -0.0000265200000000, -0.0001075600000000, -0.0003758700000000 ] - [ 0.0001819200000000, 0.0000969200000000, -0.0004107200000000 ] - [ -0.0002052800000000, 0.0000952400000000, -0.0001941300000000 ] - [ -0.0000044600000000, 0.0000629100000000, -0.0001139100000000 ] - [ 0.0001422400000000, 0.0000532600000000, 0.0000880700000000 ] - [ -0.0003313100000000, -0.0001887800000000, 0.0003120800000000 ] - [ 0.0001983300000000, 0.0006894900000000, 0.0005881100000000 ] - [ 0.0005081400000000, -0.0000987600000000, 0.0002402200000000 ] - [ 0.0001725600000000, -0.0004900500000000, -0.0000893300000000 ] - [ 0.0030140800000000, 0.0007951500000000, 0.0009569900000000 ] - [ -0.0004554600000000, 0.0004177700000000, 0.0004446400000000 ] - [ 0.0024127500000000, -0.0019795000000000, 0.0024906500000000 ] - [ 0.0008448200000000, 0.0003029700000000, 0.0002022200000000 ] - [ -0.0013893200000000, -0.0006240500000000, -0.0007934000000000 ] - [ 0.0002763600000000, -0.0001845500000000, 0.0000335700000000 ] - [ 0.0002505600000000, 0.0000233100000000, -0.0000859200000000 ] - [ 0.0000854000000000, -0.0001159200000000, -0.0006445500000000 ] - [ -0.0001052700000000, -0.0000256800000000, -0.0000826500000000 ] - [ 0.0019076500000000, 0.0069219100000000, -0.0012305500000000 ] - [ -0.0050246100000000, -0.0060648100000000, -0.0040074100000000 ] - [ 0.0007706700000000, -0.0003110600000000, 0.0005068200000000 ] - [ -0.0002082400000000, 0.0006470200000000, -0.0007639600000000 ] - [ -0.0003936600000000, 0.0001208800000000, 0.0002000300000000 ] - [ -0.0004438800000000, -0.0003430400000000, 0.0002232200000000 ] - [ -0.0011061300000000, 0.0003916400000000, -0.0003776800000000 ] - [ 0.0005306800000000, -0.0002756400000000, 0.0006101700000000 ] - [ -0.0005421400000000, 0.0002068300000000, -0.0003411500000000 ] - [ -0.0003817100000000, -0.0001173100000000, -0.0003853300000000 ] - [ -0.0001998600000000, -0.0000605300000000, -0.0000737100000000 ] - [ 0.0008011200000000, 0.0008506300000000, 0.0003557400000000 ] - [ -0.0036602300000000, -0.0045378600000000, -0.0004954100000000 ] - [ 0.0001127000000000, -0.0004929700000000, -0.0001233200000000 ] - [ -0.0008694800000000, 0.0001870700000000, -0.0008597400000000 ] - [ -0.0000021900000000, -0.0000127300000000, -0.0002795400000000 ] - [ -0.0000280100000000, -0.0000398400000000, -0.0000366300000000 ] - [ -0.0005681600000000, 0.0000766900000000, -0.0000729600000000 ] - [ 0.0007744600000000, -0.0007503900000000, 0.0000066600000000 ] - [ 0.0004153800000000, 0.0001046200000000, -0.0004125000000000 ] - [ 0.0023419500000000, -0.0001183400000000, -0.0008741100000000 ] - [ -0.0000363800000000, 0.0000826800000000, -0.0000799100000000 ] - [ 0.0000043900000000, -0.0000923500000000, 0.0000277900000000 ] - [ 0.0006196200000000, 0.0007078900000000, -0.0001295600000000 ] - [ -0.0000160800000000, -0.0000192300000000, -0.0000577300000000 ] - [ 0.0000741900000000, 0.0000202800000000, -0.0001146200000000 ] - [ 0.0000520100000000, -0.0003657300000000, -0.0000020400000000 ] - [ 0.0000595200000000, -0.0000626000000000, 0.0001205100000000 ] - [ 0.0001532200000000, 0.0008776400000000, 0.0007591900000000 ] - [ -0.0002434000000000, -0.0000314000000000, 0.0000421600000000 ] - [ 0.0007006300000000, -0.0006020200000000, -0.0011878500000000 ] - [ 0.0000302400000000, -0.0001974100000000, -0.0000688000000000 ] - [ 0.0002513800000000, -0.0001388100000000, -0.0001435700000000 ] - [ -0.0009479800000000, -0.0006077100000000, 0.0006415100000000 ] - [ 0.1835497800000000, 0.0701308900000000, 0.1017812000000000 ] - [ -0.0001921700000000, -0.0002006400000000, -0.0001746400000000 ] - [ -0.0000207100000000, -0.0000302800000000, -0.0002397400000000 ] - [ 0.0000345500000000, 0.0004238800000000, -0.0000274500000000 ] - [ -0.0006718700000000, -0.0006972800000000, -0.0006724000000000 ] - [ -0.0017672900000000, 0.0014084600000000, 0.0010990600000000 ] - [ -0.0004427200000000, 0.0003574800000000, 0.0004622300000000 ] - [ 0.0010719200000000, 0.0025246300000000, -0.0026969600000000 ] - [ -0.0001625200000000, 0.0001711000000000, 0.0000024800000000 ] - [ -0.0006382000000000, 0.0000701900000000, 0.0006446200000000 ] - [ -0.0004989900000000, 0.0000322700000000, 0.0000243900000000 ] - [ -0.0004384700000000, -0.0008551500000000, 0.0010082500000000 ] - [ -0.0000720700000000, -0.0000908700000000, -0.0001004700000000 ] - [ -0.0001460900000000, -0.0001695100000000, 0.0000261600000000 ] - [ -0.0000747700000000, -0.0000706100000000, 0.0001383200000000 ] - [ -0.0001043700000000, -0.0001252400000000, 0.0000887500000000 ] - [ 0.0000586900000000, 0.0002479300000000, 0.0000404300000000 ] - [ 0.0000106400000000, -0.0000009500000000, -0.0001362500000000 ] - [ -0.0000929700000000, -0.0001451900000000, -0.0001320900000000 ] - [ 0.0002237000000000, 0.0000172300000000, -0.0000188700000000 ] - [ -0.0001696800000000, 0.0001879100000000, 0.0000504300000000 ] - [ -0.0000257300000000, 0.0000057200000000, 0.0000336400000000 ] - [ -0.0001735100000000, -0.0000098500000000, -0.0000034500000000 ] - [ 0.0000822400000000, 0.0001393500000000, -0.0001217200000000 ] - [ -0.0001355000000000, 0.0000062900000000, -0.0001403300000000 ] - [ -0.2243035800000000, -0.1113376900000000, -0.1811775000000000 ] - [ -0.0004810000000000, -0.0010119100000000, -0.0008492400000000 ] - [ -0.0008811700000000, -0.0001053100000000, 0.0001085600000000 ] - [ -0.0007124800000000, 0.0003213100000000, -0.0002871900000000 ] - [ -0.0007072100000000, 0.0007577200000000, 0.0008504000000000 ] - [ 0.0007846500000000, 0.0007005400000000, -0.0005422600000000 ] - [ -0.0003073500000000, -0.0002870600000000, 0.0007139500000000 ] - [ -0.0003742600000000, -0.0007743100000000, 0.0003366700000000 ] - [ 0.0000130300000000, 0.0012301100000000, 0.0001472300000000 ] - [ -0.0000281400000000, 0.0009823200000000, -0.0000371000000000 ] - [ -0.0001237800000000, -0.0003262200000000, 0.0007593100000000 ] - [ 0.0002173300000000, -0.0002944600000000, -0.0004946600000000 ] - [ -0.0005933200000000, 0.0003109500000000, 0.0003338900000000 ] - [ 0.0009397600000000, 0.0000539200000000, 0.0000627100000000 ] - [ -0.0001607900000000, -0.0009825300000000, 0.0001880300000000 ] - [ 0.0001380800000000, -0.0004263100000000, -0.0001539100000000 ] - [ 0.0005933700000000, -0.0003107000000000, 0.0004131300000000 ] - [ -0.0022137700000000, -0.0001497300000000, 0.0008927300000000 ] - [ 0.0005370400000000, 0.0003498300000000, 0.0003453700000000 ] - [ -0.0009394000000000, -0.0008499500000000, -0.0002612400000000 ] - [ -0.0002498600000000, 0.0004928700000000, -0.0003469100000000 ] - [ -0.0002725600000000, 0.0002929300000000, -0.0005494000000000 ] - [ 0.0003063300000000, 0.0003057100000000, 0.0006425100000000 ] - [ 0.0004075000000000, 0.0008397700000000, 0.0001499400000000 ] - [ 0.0000260600000000, 0.0000141200000000, 0.0011076400000000 ] - [ 0.0013207100000000, -0.0000446400000000, 0.0001070600000000 ] - [ 0.0000166900000000, 0.0001454000000000, -0.0000156400000000 ] - [ -0.0001862600000000, 0.0002252400000000, -0.0007723000000000 ] - [ 0.0005240600000000, -0.0011564600000000, 0.0005369500000000 ] - [ -0.0000419200000000, 0.0001258700000000, -0.0000192100000000 ] - [ -0.0017414400000000, -0.0022142900000000, 0.0013266600000000 ] - [ 0.0004082500000000, -0.0006277500000000, 0.0003770700000000 ] - [ 0.0005021500000000, -0.0000626800000000, 0.0001125400000000 ] - [ -0.0005173100000000, 0.0006515000000000, 0.0005411600000000 ] - [ 0.0004534900000000, 0.0004124100000000, -0.0005136500000000 ] - [ 0.0010281300000000, 0.0010973600000000, -0.0007593000000000 ] - [ 0.0004542000000000, -0.0003333900000000, 0.0006159200000000 ] - [ 0.0009816200000000, -0.0002312300000000, -0.0010952800000000 ] - [ -0.0003368500000000, -0.0005673100000000, -0.0002544500000000 ] - [ -0.0005941400000000, -0.0002387300000000, -0.0002713800000000 ] - [ -0.0002067100000000, 0.0005889300000000, -0.0005197900000000 ] - [ -0.0007488500000000, -0.0001233100000000, 0.0020303500000000 ] - [ -0.0009718000000000, 0.0008733400000000, 0.0012238600000000 ] - [ 0.0003264700000000, 0.0006180300000000, -0.0002873800000000 ] - [ -0.0002830100000000, -0.0001931800000000, 0.0005331100000000 ] - [ -0.0002869100000000, -0.0005373900000000, 0.0001548000000000 ] - [ -0.0000286600000000, 0.0008983900000000, 0.0000368300000000 ] - [ -0.0099307300000000, 0.0376212300000000, 0.0143104800000000 ] - [ -0.0010041200000000, -0.0006858600000000, 0.0010864600000000 ] - [ 0.0002171200000000, -0.0002748200000000, -0.0006778300000000 ] - [ -0.0004940400000000, -0.0001408400000000, -0.0001049900000000 ] - [ 0.0008490700000000, -0.0005808700000000, -0.0008859900000000 ] - [ -0.0000443600000000, -0.0007750000000000, 0.0000013100000000 ] - [ 0.0001379500000000, -0.0006143800000000, -0.0003346400000000 ] - [ 0.0005543700000000, 0.0001208000000000, -0.0001179100000000 ] - [ -0.0010911200000000, 0.0000425800000000, 0.0000160000000000 ] - [ 0.0002537900000000, 0.0008111600000000, -0.0007439400000000 ] - [ -0.0009844600000000, -0.0003959200000000, -0.0011033900000000 ] - [ 0.0002648400000000, 0.0011575700000000, 0.0002655700000000 ] - [ 0.0008692900000000, 0.0000163600000000, -0.0008507200000000 ] - [ 0.0067385000000000, -0.0007616900000000, -0.0001026200000000 ] - [ 0.0011149300000000, -0.0000734300000000, 0.0011082000000000 ] - [ -0.0000675000000000, 0.0000789500000000, 0.0008257100000000 ] - [ 0.0010895900000000, 0.0000399700000000, -0.0000488800000000 ] - [ 0.0002321100000000, 0.0003112300000000, -0.0004115500000000 ] - [ -0.0004616800000000, 0.0006236800000000, -0.0000468000000000 ] - [ -0.0000719700000000, -0.0006660100000000, 0.0000208300000000 ] - [ 0.0004669900000000, -0.0001461700000000, -0.0002284600000000 ] - [ -0.0007398000000000, -0.0003183800000000, 0.0002955000000000 ] - [ 0.0003847500000000, -0.0005770100000000, 0.0003062100000000 ] - [ 0.0002063800000000, 0.0000174000000000, -0.0000076800000000 ] - [ -0.0003847500000000, 0.0007079000000000, 0.0003151200000000 ] - [ 0.0004299300000000, 0.0003471200000000, -0.0006683500000000 ] - [ 0.0005466100000000, 0.0002234500000000, -0.0001792000000000 ] - [ 0.0004294400000000, -0.0003728000000000, 0.0006455100000000 ] - [ 0.0000020800000000, 0.0000211900000000, -0.0008710800000000 ] - [ -0.0001605900000000, -0.0006086100000000, -0.0002105500000000 ] - [ -0.0005505400000000, -0.0002399100000000, -0.0001550400000000 ] - [ -0.0004931300000000, 0.0002586700000000, -0.0002275800000000 ] - [ -0.0004912300000000, 0.0003119600000000, -0.0002894500000000 ] - [ -0.0001351100000000, 0.0001785100000000, 0.0006239100000000 ] - [ 0.0000817200000000, 0.0004917900000000, 0.0000268600000000 ] - [ 0.0008645800000000, 0.0020487300000000, -0.0003642300000000 ] - [ -0.0002861700000000, -0.0004524600000000, 0.0003349700000000 ] - [ 0.0000753400000000, 0.0006401700000000, 0.0000634900000000 ] - [ 0.0000649900000000, 0.0009787700000000, 0.0000616900000000 ] - [ 0.0002083700000000, 0.0001826900000000, 0.0010454800000000 ] - [ 0.0011208000000000, -0.0013292700000000, -0.0012974600000000 ] - [ -0.0003682600000000, -0.0001213100000000, 0.0000794900000000 ] - [ 0.0012780600000000, -0.0000953700000000, -0.0001494700000000 ] - [ 0.0002908100000000, -0.0009662700000000, -0.0002079000000000 ] - [ 0.0003417700000000, -0.0007538700000000, -0.0003194300000000 ] - [ 0.0010841600000000, 0.0001399700000000, -0.0001176200000000 ] - [ -0.0005540300000000, -0.0000129900000000, 0.0000419800000000 ] - [ 0.0007083000000000, 0.0002952200000000, 0.0003057200000000 ] - [ -0.0001125500000000, -0.0002710500000000, -0.0006103400000000 ] - [ -0.0002507700000000, 0.0007803200000000, -0.0004795000000000 ] - [ -0.0003068300000000, 0.0003767000000000, -0.0006775400000000 ] - [ 0.0003395300000000, 0.0003019000000000, 0.0005744900000000 ] - [ 0.0003108800000000, 0.0004910600000000, 0.0001488800000000 ] - [ 0.0009700200000000, -0.0002976700000000, 0.0002263700000000 ] - [ 0.0000501500000000, -0.0001965800000000, 0.0011267200000000 ] - [ 0.0000321700000000, -0.0000165700000000, 0.0000717100000000 ] - [ 0.0001665600000000, -0.0001282100000000, -0.0009075400000000 ] - [ 0.0007007000000000, -0.0003583400000000, 0.0007043200000000 ] - [ 0.0008592400000000, -0.0003210000000000, -0.0003774100000000 ] - [ -0.0003450400000000, -0.0003176300000000, 0.0002752100000000 ] - [ 0.0434597500000000, 0.0064590000000000, 0.0675461700000000 ] - [ -0.0001375700000000, 0.0000425800000000, 0.0002484600000000 ] - [ 0.0001728800000000, 0.0004543400000000, -0.0000278400000000 ] - [ -0.0002143700000000, -0.0001163100000000, -0.0005733300000000 ] - [ 0.0006492400000000, 0.0002237900000000, -0.0002115300000000 ] - [ -0.0001006300000000, 0.0001043800000000, 0.0011069700000000 ] - [ 0.0000426200000000, -0.0000064900000000, -0.0007480800000000 ] - [ -0.0001731200000000, -0.0005706300000000, -0.0002536900000000 ] - [ -0.0004974300000000, -0.0005766800000000, -0.0003964000000000 ] - [ -0.0009744400000000, -0.0000553600000000, 0.0000505400000000 ] - [ -0.0003411500000000, 0.0001465500000000, -0.0001934300000000 ] - [ -0.0001341900000000, 0.0002100000000000, 0.0005506100000000 ] - [ 0.0002503000000000, 0.0007018400000000, -0.0003149500000000 ] - [ -0.0002716000000000, -0.0002896900000000, 0.0006388500000000 ] - [ -0.0003727600000000, -0.0006714100000000, 0.0003188000000000 ] - [ 0.0000285300000000, 0.0010104400000000, -0.0000374100000000 ] - [ 0.0001319500000000, 0.0009078400000000, 0.0001375300000000 ] - [ 0.0000612800000000, 0.0000772400000000, 0.0008957200000000 ] - [ 0.0002947000000000, -0.0002501100000000, -0.0005508400000000 ] - [ -0.0006065100000000, 0.0003563400000000, 0.0003740900000000 ] - [ 0.0009805400000000, 0.0000516800000000, 0.0000518000000000 ] - [ 0.0000218400000000, -0.0009154100000000, -0.0000135300000000 ] - [ 0.0003428800000000, -0.0005807700000000, -0.0003368000000000 ] - [ 0.0006481900000000, -0.0003556800000000, 0.0003473900000000 ] - [ -0.0007870000000000, -0.0000042700000000, -0.0000182300000000 ] - [ 0.0008475700000000, 0.0003493700000000, 0.0003012700000000 ] - [ -0.0001126600000000, -0.0001536000000000, -0.0005041800000000 ] - [ 0.0002661100000000, 0.0003094100000000, 0.0002670900000000 ] - [ -0.0002826100000000, 0.0002283900000000, -0.0005004200000000 ] - [ 0.0003395400000000, 0.0003452100000000, 0.0007176600000000 ] - [ 0.0008333100000000, 0.0010606300000000, 0.0008161800000000 ] - [ -0.0000133400000000, -0.0000004100000000, 0.0010115700000000 ] - [ 0.0007550100000000, 0.0000297200000000, -0.0000447000000000 ] - [ 0.0003699400000000, -0.0007247500000000, -0.0007302300000000 ] - [ 0.0000684900000000, -0.0000737500000000, -0.0009491800000000 ] - [ -0.0000392700000000, -0.0010792600000000, 0.0000106200000000 ] - [ 0.0006933800000000, -0.0003119400000000, -0.0002917800000000 ] - [ -0.0004976500000000, -0.0002242700000000, 0.0002502700000000 ] - [ 0.0002272300000000, -0.0005725600000000, 0.0003060700000000 ] - [ -0.0013473800000000, 0.0002771800000000, 0.0002674000000000 ] - [ -0.0002453600000000, 0.0006110200000000, 0.0002876000000000 ] - [ -0.0001010400000000, -0.0001189400000000, -0.0004021800000000 ] - [ 0.0011358600000000, 0.0008435500000000, -0.0008737400000000 ] - [ -0.0002155300000000, -0.0000786600000000, 0.0003577600000000 ] - [ 0.0000111400000000, 0.0000097600000000, -0.0010132900000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001497000000000, 0.0000903100000000, 0.0001804100000000 ] - [ 0.0002293200000000, 0.0000685600000000, -0.0001451600000000 ] - [ 0.0004953400000000, -0.0003140600000000, 0.0002027400000000 ] - [ 0.0002799600000000, -0.0000766100000000, -0.0000849700000000 ] - [ 0.0003684100000000, 0.0001444600000000, -0.0001915600000000 ] - [ -0.0001918300000000, 0.0001567300000000, -0.0001520200000000 ] - [ 0.0002082600000000, 0.0001109300000000, 0.0000590700000000 ] - [ 0.0002149800000000, 0.0001296600000000, 0.0001877100000000 ] - [ -0.0004220800000000, 0.0002848400000000, -0.0003146400000000 ] - [ 0.0003093400000000, -0.0002000400000000, -0.0002129100000000 ] - [ 0.0002096600000000, -0.0001454100000000, 0.0001956800000000 ] - [ -0.0000215400000000, -0.0000820500000000, -0.0000711600000000 ] - [ 0.0002458500000000, 0.0001780500000000, -0.0001746100000000 ] - [ -0.0004225700000000, 0.0001699800000000, -0.0001773100000000 ] - [ -0.0000053600000000, 0.0000728000000000, 0.0001159100000000 ] - [ 0.0003838700000000, 0.0002333100000000, -0.0002084600000000 ] - [ -0.0000190100000000, -0.0002838400000000, 0.0000948300000000 ] - [ 0.0000383200000000, -0.0002690400000000, -0.0000165500000000 ] - [ 0.0000409400000000, -0.0000874200000000, 0.0003020100000000 ] - [ -0.0002238600000000, -0.0001426600000000, 0.0001247800000000 ] - [ 0.0000704500000000, 0.0001550500000000, 0.0001585700000000 ] - [ -0.0000466700000000, 0.0001566500000000, -0.0000577700000000 ] - [ -0.0002467300000000, 0.0001888000000000, 0.0003647600000000 ] - [ 0.0001109200000000, 0.0001991000000000, 0.0001649100000000 ] - [ 0.0000780100000000, -0.0000642500000000, -0.0000590600000000 ] - [ 0.0000526500000000, -0.0009471300000000, -0.0008380700000000 ] - [ -0.0002591200000000, -0.0001516000000000, 0.0000083300000000 ] - [ -0.0004204600000000, 0.0002396800000000, -0.0001597200000000 ] - [ -0.0028257800000000, -0.0004647600000000, -0.0011997800000000 ] - [ 0.0002012600000000, -0.0001642800000000, -0.0006941200000000 ] - [ -0.0026519200000000, 0.0022348300000000, -0.0022441500000000 ] - [ -0.0005934700000000, -0.0000496500000000, 0.0000513100000000 ] - [ 0.0013846600000000, 0.0006210700000000, 0.0007916600000000 ] - [ -0.0002738100000000, 0.0001850400000000, -0.0000319900000000 ] - [ -0.0002519200000000, -0.0000204000000000, 0.0000845800000000 ] - [ -0.0000830100000000, 0.0001151200000000, 0.0006446100000000 ] - [ 0.0001056600000000, 0.0000266000000000, 0.0000807600000000 ] - [ -0.0018726500000000, -0.0069279400000000, 0.0012421900000000 ] - [ 0.0050236800000000, 0.0061001600000000, 0.0039760200000000 ] - [ -0.0007689200000000, 0.0003123900000000, -0.0005071600000000 ] - [ 0.0002102700000000, -0.0006503400000000, 0.0007687500000000 ] - [ 0.0003927800000000, -0.0001194700000000, -0.0001992000000000 ] - [ 0.0004421600000000, 0.0003416700000000, -0.0002247300000000 ] - [ 0.0011051300000000, -0.0003917900000000, 0.0003741600000000 ] - [ -0.0005310200000000, 0.0002731900000000, -0.0006066300000000 ] - [ 0.0005398700000000, -0.0002045800000000, 0.0003396000000000 ] - [ 0.0003787100000000, 0.0001176500000000, 0.0003839300000000 ] - [ 0.0001998000000000, 0.0000602200000000, 0.0000736500000000 ] - [ -0.0008063500000000, -0.0008547500000000, -0.0004275800000000 ] - [ 0.0036869300000000, 0.0044785400000000, 0.0005170400000000 ] - [ -0.0001122300000000, 0.0004213700000000, 0.0001229800000000 ] - [ 0.0008632100000000, -0.0001171300000000, 0.0008529200000000 ] - [ 0.0000023500000000, 0.0000130400000000, 0.0002099000000000 ] - [ -0.0000417900000000, 0.0000406600000000, 0.0000372400000000 ] - [ 0.0004968700000000, -0.0000762900000000, 0.0000729800000000 ] - [ -0.0007750000000000, 0.0007515000000000, 0.0000662500000000 ] - [ -0.0004164300000000, -0.0000345300000000, 0.0004131300000000 ] - [ -0.0022551900000000, 0.0001184000000000, 0.0008785800000000 ] - [ 0.0001074200000000, -0.0000829900000000, 0.0000803600000000 ] - [ -0.0000042900000000, 0.0000214400000000, -0.0000276000000000 ] - [ -0.0006160800000000, -0.0007036300000000, 0.0000609400000000 ] - [ 0.0000161400000000, 0.0000198400000000, 0.0001287900000000 ] - [ -0.0000748800000000, -0.0000891200000000, 0.0001150100000000 ] - [ -0.0000511700000000, 0.0004339300000000, 0.0000012100000000 ] - [ -0.0000592900000000, 0.0000624600000000, -0.0001906100000000 ] - [ -0.0002231800000000, -0.0008747600000000, -0.0007561900000000 ] - [ 0.0001726700000000, 0.0000316000000000, -0.0000420000000000 ] - [ -0.0006991100000000, 0.0006003900000000, 0.0012584600000000 ] - [ -0.0000300300000000, 0.0002684700000000, 0.0000681700000000 ] - [ -0.0001807500000000, 0.0001383000000000, 0.0001427400000000 ] - [ 0.0010132900000000, 0.0006065000000000, -0.0006395100000000 ] - [ -0.1900442800000000, -0.0768300500000000, -0.1103066900000000 ] - [ 0.0001916100000000, 0.0002004900000000, 0.0001034400000000 ] - [ 0.0000212000000000, 0.0000311200000000, 0.0003110400000000 ] - [ -0.0000333900000000, -0.0004951900000000, 0.0000269800000000 ] - [ 0.0006716500000000, 0.0007598900000000, 0.0006719400000000 ] - [ 0.0017583800000000, -0.0013949400000000, -0.0011842300000000 ] - [ 0.0003701800000000, -0.0003567500000000, -0.0004614200000000 ] - [ -0.0011463400000000, -0.0025384700000000, 0.0027054900000000 ] - [ 0.0001627200000000, -0.0001708200000000, 0.0000674200000000 ] - [ 0.0006359300000000, 0.0000014900000000, -0.0006424100000000 ] - [ 0.0005667100000000, -0.0000319500000000, -0.0000244300000000 ] - [ 0.0005106100000000, 0.0008497900000000, -0.0010028700000000 ] - [ 0.0000715000000000, 0.0000204300000000, 0.0001000400000000 ] - [ 0.0001455000000000, 0.0001689400000000, -0.0000963100000000 ] - [ 0.0000745000000000, 0.0000704800000000, -0.0000683500000000 ] - [ 0.0001032600000000, 0.0000547800000000, -0.0000874500000000 ] - [ -0.0000583300000000, -0.0001765600000000, -0.0000407300000000 ] - [ -0.0000102300000000, 0.0000014300000000, 0.0000667000000000 ] - [ 0.0000228300000000, 0.0001454400000000, 0.0001326500000000 ] - [ -0.0002920400000000, -0.0000169600000000, 0.0000190100000000 ] - [ 0.0001686500000000, -0.0001870900000000, 0.0000198300000000 ] - [ 0.0000258100000000, 0.0000641500000000, -0.0000341400000000 ] - [ 0.0002427700000000, 0.0000104800000000, 0.0000031700000000 ] - [ -0.0000125600000000, -0.0001389000000000, 0.0001214100000000 ] - [ 0.0001353100000000, -0.0000767300000000, 0.0001403100000000 ] - [ 0.2302120700000000, 0.1169809800000000, 0.1909317600000000 ] - [ -0.0007140700000000, 0.0004445900000000, 0.0002817800000000 ] - [ -0.0009925900000000, 0.0001054400000000, -0.0001090100000000 ] - [ -0.0004853600000000, 0.0002468800000000, -0.0002811500000000 ] - [ 0.0001399500000000, -0.0001923000000000, 0.0003429500000000 ] - [ -0.0002160800000000, 0.0004956400000000, -0.0000250100000000 ] - [ -0.0002608600000000, -0.0002812900000000, 0.0004825100000000 ] - [ -0.0001927900000000, -0.0004219700000000, 0.0002311200000000 ] - [ -0.0000130000000000, 0.0006412800000000, -0.0001472400000000 ] - [ 0.0000283100000000, 0.0008913600000000, 0.0000366400000000 ] - [ 0.0001246200000000, 0.0003268700000000, 0.0011125400000000 ] - [ 0.0003502300000000, -0.0002732900000000, -0.0007027600000000 ] - [ -0.0006036100000000, 0.0002567800000000, 0.0002332400000000 ] - [ 0.0009331700000000, -0.0000540900000000, -0.0000631900000000 ] - [ 0.0001613700000000, -0.0008871100000000, -0.0001883000000000 ] - [ 0.0004281400000000, -0.0007694300000000, -0.0004127800000000 ] - [ 0.0006037900000000, -0.0002567600000000, 0.0001550200000000 ] - [ 0.0003349600000000, 0.0001472200000000, -0.0008893700000000 ] - [ 0.0006593200000000, 0.0002180100000000, 0.0002222300000000 ] - [ 0.0003673500000000, 0.0002807800000000, -0.0009324400000000 ] - [ -0.0003175300000000, 0.0007037300000000, -0.0002218700000000 ] - [ -0.0002950000000000, 0.0002753100000000, -0.0006474400000000 ] - [ 0.0002606400000000, 0.0002616100000000, 0.0005536400000000 ] - [ 0.0001616400000000, 0.0003603000000000, 0.0004190000000000 ] - [ -0.0000261500000000, -0.0000140400000000, 0.0007635300000000 ] - [ 0.0005523700000000, 0.0000450900000000, -0.0001072200000000 ] - [ -0.0000159800000000, -0.0001451700000000, 0.0000163900000000 ] - [ 0.0001861900000000, -0.0002252300000000, -0.0011012500000000 ] - [ -0.0005206000000000, -0.0007121800000000, -0.0005335400000000 ] - [ 0.0012346100000000, -0.0006895400000000, -0.0005492100000000 ] - [ 0.0005475500000000, 0.0016546000000000, -0.0007593900000000 ] - [ 0.0001598300000000, -0.0005691300000000, 0.0001906300000000 ] - [ -0.0004990500000000, 0.0000619200000000, -0.0001116700000000 ] - [ -0.0000485700000000, 0.0005440500000000, 0.0000241600000000 ] - [ 0.0001135500000000, 0.0001548400000000, -0.0006824300000000 ] - [ 0.0001721000000000, -0.0005230800000000, 0.0001909700000000 ] - [ 0.0001138000000000, -0.0002334600000000, 0.0005798300000000 ] - [ -0.0009786500000000, 0.0002354800000000, -0.0007596900000000 ] - [ -0.0002311100000000, -0.0006289800000000, -0.0003133700000000 ] - [ -0.0006028100000000, -0.0003285800000000, -0.0002964500000000 ] - [ -0.0016618000000000, -0.0005886400000000, 0.0005225900000000 ] - [ -0.0004498900000000, 0.0006918800000000, -0.0026089600000000 ] - [ 0.0004035700000000, -0.0003047300000000, -0.0000271200000000 ] - [ 0.0002399200000000, 0.0005792900000000, -0.0002793200000000 ] - [ -0.0002839600000000, -0.0003731900000000, 0.0006639200000000 ] - [ -0.0002807300000000, -0.0006590700000000, 0.0004125300000000 ] - [ 0.0000284500000000, 0.0009706200000000, -0.0000372700000000 ] - [ 0.0103964300000000, -0.0357783500000000, -0.0143702000000000 ] - [ 0.0009972500000000, 0.0006833800000000, 0.0007842200000000 ] - [ 0.0003494000000000, -0.0002925100000000, -0.0005187600000000 ] - [ -0.0007019400000000, 0.0007059800000000, 0.0006703100000000 ] - [ 0.0010197600000000, 0.0005802500000000, 0.0008827200000000 ] - [ 0.0000440500000000, -0.0010948500000000, -0.0000013700000000 ] - [ 0.0004277800000000, -0.0005820500000000, -0.0002322500000000 ] - [ 0.0006408700000000, -0.0006870500000000, 0.0006830400000000 ] - [ -0.0007822400000000, -0.0000421700000000, -0.0000154300000000 ] - [ 0.0009406000000000, -0.0002476800000000, 0.0013169800000000 ] - [ 0.0004213800000000, -0.0001696500000000, -0.0000893400000000 ] - [ -0.0008304500000000, 0.0000404600000000, -0.0008314700000000 ] - [ -0.0014220600000000, 0.0005468600000000, -0.0003377800000000 ] - [ -0.0060618400000000, 0.0012994300000000, 0.0012687700000000 ] - [ -0.0005421400000000, 0.0012648900000000, -0.0005356800000000 ] - [ 0.0000671100000000, -0.0000790400000000, 0.0010448900000000 ] - [ 0.0007820900000000, -0.0000397600000000, 0.0000484100000000 ] - [ -0.0002291400000000, -0.0003088100000000, 0.0004091600000000 ] - [ 0.0004622600000000, -0.0006247600000000, -0.0018251400000000 ] - [ 0.0000714600000000, -0.0012052700000000, -0.0000199700000000 ] - [ 0.0007291400000000, -0.0004197000000000, -0.0003379800000000 ] - [ -0.0004584400000000, -0.0002500300000000, 0.0002726700000000 ] - [ 0.0001838800000000, -0.0006204300000000, 0.0002621700000000 ] - [ -0.0002060600000000, -0.0000167700000000, 0.0000065700000000 ] - [ -0.0001822200000000, 0.0004875800000000, 0.0002515000000000 ] - [ 0.0001371600000000, 0.0002200600000000, -0.0005284300000000 ] - [ 0.0006506400000000, 0.0003444900000000, -0.0003888200000000 ] - [ 0.0001369600000000, -0.0001931700000000, 0.0005507100000000 ] - [ -0.0000021100000000, -0.0000208900000000, -0.0010005100000000 ] - [ -0.0004060000000000, -0.0005880500000000, -0.0003567100000000 ] - [ -0.0006473500000000, -0.0003285400000000, -0.0004134300000000 ] - [ -0.0013795300000000, -0.0002569900000000, 0.0002271400000000 ] - [ -0.0007042100000000, 0.0002540100000000, -0.0002759800000000 ] - [ -0.0004310100000000, 0.0003881100000000, 0.0005723800000000 ] - [ 0.0004848700000000, 0.0007047900000000, -0.0005941900000000 ] - [ -0.0014274100000000, -0.0025915600000000, 0.0015565600000000 ] - [ -0.0002808700000000, -0.0007433100000000, 0.0002322700000000 ] - [ -0.0000755600000000, 0.0012315500000000, -0.0000633100000000 ] - [ -0.0000646400000000, 0.0008925300000000, -0.0000613700000000 ] - [ -0.0002078200000000, -0.0001817200000000, 0.0008263000000000 ] - [ -0.0005482600000000, 0.0007567400000000, 0.0001009700000000 ] - [ -0.0008272000000000, 0.0006873400000000, 0.0004883800000000 ] - [ 0.0005945900000000, 0.0000957100000000, 0.0001492300000000 ] - [ -0.0002899000000000, -0.0009031500000000, 0.0002079200000000 ] - [ 0.0002247700000000, -0.0004420800000000, -0.0002460100000000 ] - [ 0.0001145400000000, -0.0007064900000000, 0.0006843300000000 ] - [ -0.0013162500000000, 0.0000126600000000, -0.0000417200000000 ] - [ 0.0004883600000000, 0.0002714200000000, 0.0002610300000000 ] - [ -0.0004532400000000, -0.0002956400000000, -0.0005862300000000 ] - [ -0.0003183600000000, 0.0004200100000000, -0.0000898200000000 ] - [ -0.0002607700000000, 0.0001902900000000, -0.0005188300000000 ] - [ 0.0002278600000000, 0.0002654100000000, 0.0006223800000000 ] - [ 0.0002569200000000, 0.0007052200000000, 0.0004178600000000 ] - [ -0.0009709800000000, 0.0002936600000000, 0.0016532200000000 ] - [ 0.0018236300000000, 0.0001936400000000, -0.0011301700000000 ] - [ -0.0000325700000000, 0.0000157700000000, -0.0000717100000000 ] - [ -0.0001661200000000, 0.0001283600000000, -0.0009629800000000 ] - [ -0.0006949500000000, -0.0015063500000000, -0.0006985000000000 ] - [ 0.0003389700000000, -0.0002471200000000, -0.0001908100000000 ] - [ -0.0008509700000000, -0.0002497600000000, 0.0002927900000000 ] - [ -0.0434739800000000, -0.0079048600000000, -0.0686709700000000 ] - [ 0.0001362700000000, -0.0000430100000000, -0.0002487700000000 ] - [ -0.0007372100000000, 0.0007407100000000, 0.0005934900000000 ] - [ 0.0007824100000000, 0.0006850900000000, -0.0006233800000000 ] - [ 0.0005474400000000, 0.0003443400000000, -0.0003570600000000 ] - [ 0.0006660900000000, -0.0006705300000000, 0.0000920100000000 ] - [ -0.0000427700000000, 0.0000061900000000, -0.0011254400000000 ] - [ -0.0003935400000000, -0.0006261700000000, -0.0003132000000000 ] - [ -0.0006991500000000, 0.0000100100000000, -0.0001700800000000 ] - [ -0.0008977500000000, 0.0000553400000000, -0.0000495100000000 ] - [ -0.0008543500000000, 0.0004209200000000, -0.0003739200000000 ] - [ -0.0004308400000000, 0.0003561600000000, 0.0006449700000000 ] - [ 0.0003156200000000, 0.0004939100000000, -0.0002513600000000 ] - [ -0.0002954900000000, -0.0002771600000000, 0.0005581300000000 ] - [ -0.0001930300000000, -0.0005245500000000, 0.0002467400000000 ] - [ -0.0000282500000000, 0.0008625300000000, 0.0000369500000000 ] - [ -0.0001313000000000, 0.0009639200000000, -0.0001370000000000 ] - [ -0.0000611900000000, -0.0000767200000000, 0.0009741500000000 ] - [ 0.0002724100000000, -0.0003157400000000, -0.0006455100000000 ] - [ -0.0005910400000000, 0.0002122400000000, 0.0001939000000000 ] - [ 0.0008931700000000, -0.0000511900000000, -0.0000518000000000 ] - [ -0.0000217700000000, -0.0009537200000000, 0.0000138000000000 ] - [ 0.0002256600000000, -0.0006155100000000, -0.0002314300000000 ] - [ 0.0005487600000000, -0.0002121400000000, 0.0002201600000000 ] - [ -0.0010826200000000, 0.0000043900000000, 0.0000179800000000 ] - [ 0.0003503300000000, 0.0002180700000000, 0.0002655300000000 ] - [ -0.0004541000000000, -0.0004135400000000, -0.0006925500000000 ] - [ -0.0008297100000000, 0.0008858800000000, -0.0008303200000000 ] - [ -0.0002851200000000, 0.0003391800000000, -0.0006962300000000 ] - [ 0.0002283400000000, 0.0002224400000000, 0.0004788700000000 ] - [ -0.0002650200000000, 0.0001389800000000, -0.0002486000000000 ] - [ 0.0000135900000000, 0.0000007800000000, 0.0008595900000000 ] - [ 0.0011161100000000, -0.0000292800000000, 0.0000441800000000 ] - [ -0.0003671700000000, 0.0007219800000000, 0.0007270400000000 ] - [ -0.0000679700000000, 0.0000735100000000, -0.0009230100000000 ] - [ 0.0000392200000000, -0.0007940800000000, -0.0000105700000000 ] - [ 0.0005032900000000, -0.0002548700000000, -0.0002756300000000 ] - [ -0.0006978200000000, -0.0003415900000000, 0.0003159900000000 ] - [ 0.0003401100000000, -0.0006236500000000, 0.0002613200000000 ] - [ 0.0013436600000000, -0.0002835200000000, -0.0002596800000000 ] - [ -0.0003213500000000, 0.0005862200000000, 0.0002793400000000 ] - [ 0.0006657800000000, 0.0006833800000000, -0.0007937200000000 ] - [ 0.0000627900000000, -0.0002745500000000, 0.0003043500000000 ] - [ 0.0007811600000000, -0.0004875700000000, 0.0008372000000000 ] - [ -0.0000109300000000, -0.0000096500000000, -0.0008583400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001835600000000, -0.0004390100000000, 0.0001578200000000 ] - [ 0.0001578200000000, -0.0004390100000000, -0.0001835600000000 ] - [ 0.0001890500000000, 0.0000765400000000, -0.0000040300000000 ] - [ -0.0002887300000000, 0.0000288800000000, -0.0000469300000000 ] - [ 0.0003038400000000, 0.0000366800000000, -0.0001099900000000 ] - [ 0.0001110900000000, -0.0002494500000000, 0.0001110900000000 ] - [ -0.0003356700000000, 0.0000224700000000, 0.0000962500000000 ] - [ 0.0001194000000000, 0.0000497300000000, 0.0001194000000000 ] - [ 0.0002095000000000, 0.0013521000000000, -0.0005187100000000 ] - [ 0.0003175700000000, -0.0001316600000000, -0.0003240600000000 ] - [ 0.0001198200000000, -0.0001953900000000, 0.0001198200000000 ] - [ -0.0001506500000000, -0.0001988300000000, -0.0001506500000000 ] - [ 0.0000511900000000, 0.0001406300000000, -0.0000791300000000 ] - [ -0.0002709300000000, 0.0005117700000000, -0.0003642800000000 ] - [ -0.0000791300000000, 0.0001406300000000, 0.0000511900000000 ] - [ 0.0002786400000000, 0.0004671200000000, 0.0005719600000000 ] - [ -0.0001421500000000, -0.0004785900000000, 0.0001743800000000 ] - [ 0.0001743800000000, -0.0004785900000000, -0.0001421500000000 ] - [ -0.0000040300000000, 0.0000765400000000, 0.0001890500000000 ] - [ -0.0000469300000000, 0.0000288800000000, -0.0002887300000000 ] - [ 0.0000962500000000, 0.0000224700000000, -0.0003356700000000 ] - [ -0.0001270600000000, -0.0000113600000000, -0.0001270600000000 ] - [ -0.0001099900000000, 0.0000366800000000, 0.0003038400000000 ] - [ -0.0001001000000000, -0.0002738900000000, -0.0001001000000000 ] - [ -0.0003240600000000, -0.0001316600000000, 0.0003175700000000 ] - [ -0.0005187100000000, 0.0013521000000000, 0.0002095000000000 ] - [ 0.0007983900000000, -0.0007568600000000, 0.0007983900000000 ] - [ -0.0006523300000000, -0.0010156500000000, -0.0006523300000000 ] - [ 0.0019832700000000, -0.0022872200000000, 0.0008145200000000 ] - [ -0.0003642800000000, 0.0005117700000000, -0.0002709300000000 ] - [ 0.0008145200000000, -0.0022872200000000, 0.0019832700000000 ] - [ 0.0005719600000000, 0.0004671200000000, 0.0002786400000000 ] - [ -0.0005743800000000, 0.0002327500000000, -0.0002382800000000 ] - [ 0.0000419600000000, -0.0004814400000000, 0.0002643100000000 ] - [ 0.0000515300000000, -0.0005086300000000, -0.0003408600000000 ] - [ -0.0002382800000000, 0.0002327500000000, -0.0005743800000000 ] - [ 0.0000661800000000, -0.0002251100000000, -0.0000630600000000 ] - [ 0.0037061400000000, 0.0043545800000000, 0.0037061400000000 ] - [ -0.0062705400000000, 0.0001954100000000, -0.0062705400000000 ] - [ 0.0002478500000000, -0.0011087900000000, -0.0001541800000000 ] - [ 0.0000061700000000, 0.0005747000000000, -0.0001502700000000 ] - [ 0.0002643100000000, -0.0004814400000000, 0.0000419600000000 ] - [ -0.0003408600000000, -0.0005086300000000, 0.0000515300000000 ] - [ -0.0001502700000000, 0.0005747000000000, 0.0000061700000000 ] - [ -0.0001541800000000, -0.0011087900000000, 0.0002478500000000 ] - [ -0.0003706500000000, 0.0003552800000000, -0.0003706500000000 ] - [ 0.0003505900000000, 0.0004549000000000, 0.0003505900000000 ] - [ -0.0000630600000000, -0.0002251100000000, 0.0000661800000000 ] - [ 0.0003442800000000, 0.0004602000000000, 0.0008276600000000 ] - [ -0.0003370900000000, -0.0000031200000000, 0.0009594300000000 ] - [ -0.0000025200000000, -0.0002260000000000, -0.0000025200000000 ] - [ 0.0007170300000000, -0.0006656100000000, 0.0007170300000000 ] - [ -0.0001456500000000, 0.0001222700000000, -0.0000214100000000 ] - [ -0.0001071600000000, -0.0000071600000000, -0.0000051600000000 ] - [ -0.0000214100000000, 0.0001222700000000, -0.0001456500000000 ] - [ 0.0004893700000000, -0.0003539500000000, -0.0007154600000000 ] - [ 0.0001694200000000, 0.0003001900000000, -0.0001692700000000 ] - [ 0.0009594300000000, -0.0000031200000000, -0.0003370900000000 ] - [ 0.0000503200000000, 0.0000678400000000, -0.0000673000000000 ] - [ -0.0000053900000000, -0.0003664000000000, -0.0000030600000000 ] - [ -0.0004340100000000, -0.0003090000000000, 0.0013531500000000 ] - [ -0.0001170900000000, -0.0000977700000000, 0.0000853000000000 ] - [ 0.0002756400000000, -0.0000494900000000, -0.0002875800000000 ] - [ -0.0000426600000000, -0.0004690300000000, -0.0000728600000000 ] - [ 0.0002936800000000, -0.0002760500000000, 0.0000444600000000 ] - [ 0.0013531500000000, -0.0003090000000000, -0.0004340100000000 ] - [ -0.0001099200000000, -0.0000864400000000, 0.0001032400000000 ] - [ 0.0004677200000000, -0.0002878600000000, -0.0015357200000000 ] - [ -0.0000032600000000, -0.0009139200000000, -0.0000032600000000 ] - [ -0.0000254700000000, -0.0002735700000000, -0.0002891600000000 ] - [ -0.0015357200000000, -0.0002878600000000, 0.0004677200000000 ] - [ 0.0683873700000000, 0.1726004500000000, 0.0683873700000000 ] - [ -0.0000051600000000, -0.0000071600000000, -0.0001071600000000 ] - [ 0.0001031800000000, 0.0000848200000000, -0.0001771700000000 ] - [ 0.0000011500000000, 0.0001988700000000, 0.0000011500000000 ] - [ -0.0004281200000000, -0.0011360400000000, -0.0004281200000000 ] - [ -0.0013581900000000, 0.0012297100000000, 0.0004352400000000 ] - [ 0.0008276600000000, 0.0004602000000000, 0.0003442800000000 ] - [ 0.0004352400000000, 0.0012297100000000, -0.0013581900000000 ] - [ -0.0000673000000000, 0.0000678400000000, 0.0000503200000000 ] - [ -0.0001692700000000, 0.0003001900000000, 0.0001694200000000 ] - [ -0.0001771700000000, 0.0000848200000000, 0.0001031800000000 ] - [ -0.0007154600000000, -0.0003539500000000, 0.0004893700000000 ] - [ -0.0000030600000000, -0.0003664000000000, -0.0000053900000000 ] - [ -0.0000822400000000, -0.0000845900000000, -0.0000706800000000 ] - [ -0.0002891600000000, -0.0002735700000000, -0.0000254700000000 ] - [ -0.0002875800000000, -0.0000494900000000, 0.0002756400000000 ] - [ -0.0000728600000000, -0.0004690300000000, -0.0000426600000000 ] - [ 0.0001032400000000, -0.0000864400000000, -0.0001099200000000 ] - [ -0.0000706800000000, -0.0000845900000000, -0.0000822400000000 ] - [ 0.0000444600000000, -0.0002760500000000, 0.0002936800000000 ] - [ 0.0000756300000000, -0.0000728400000000, 0.0000985200000000 ] - [ 0.0000007800000000, -0.0001378800000000, 0.0000007800000000 ] - [ 0.0000853000000000, -0.0000977700000000, -0.0001170900000000 ] - [ 0.0000985200000000, -0.0000728400000000, 0.0000756300000000 ] - [ -0.0000162400000000, 0.0002588700000000, -0.0000162400000000 ] - [ -0.1113804100000000, -0.2155331200000000, -0.1113804100000000 ] - [ -0.0013395900000000, -0.0001643100000000, 0.0000546400000000 ] - [ -0.0009469800000000, -0.0000444600000000, 0.0000556500000000 ] - [ -0.0007013200000000, 0.0005449700000000, -0.0004003300000000 ] - [ -0.0005379600000000, 0.0007121000000000, 0.0010867000000000 ] - [ 0.0003853600000000, 0.0005159400000000, -0.0003374000000000 ] - [ -0.0003626300000000, -0.0003971300000000, 0.0007004700000000 ] - [ -0.0003581300000000, -0.0007008900000000, 0.0002663000000000 ] - [ 0.0000535500000000, 0.0010554400000000, 0.0000535500000000 ] - [ -0.0000019900000000, 0.0011776900000000, 0.0000038900000000 ] - [ 0.0000139300000000, -0.0002003500000000, 0.0003853000000000 ] - [ 0.0003633400000000, -0.0004244000000000, -0.0006114400000000 ] - [ -0.0005565600000000, 0.0002783800000000, 0.0003016600000000 ] - [ 0.0009919400000000, 0.0000328000000000, 0.0000319400000000 ] - [ -0.0000592400000000, -0.0011313700000000, 0.0000789700000000 ] - [ 0.0003004200000000, -0.0005491100000000, -0.0002225600000000 ] - [ 0.0005556500000000, -0.0002779700000000, 0.0001990400000000 ] - [ -0.0013317500000000, -0.0005884200000000, 0.0003661100000000 ] - [ 0.0006954600000000, 0.0005328800000000, 0.0004031400000000 ] - [ 0.0000546400000000, -0.0001643100000000, -0.0013395900000000 ] - [ -0.0004648900000000, 0.0008239800000000, -0.0001783100000000 ] - [ -0.0003245500000000, 0.0003793500000000, -0.0005625600000000 ] - [ 0.0003283500000000, 0.0003939700000000, 0.0005760100000000 ] - [ 0.0005253400000000, 0.0008885800000000, 0.0001767400000000 ] - [ 0.0000988900000000, -0.0001017900000000, 0.0009263000000000 ] - [ 0.0009263000000000, -0.0001017900000000, 0.0000988900000000 ] - [ -0.0001992800000000, 0.0004717500000000, -0.0001992800000000 ] - [ -0.0001359200000000, 0.0000834700000000, -0.0003493600000000 ] - [ -0.0010190500000000, -0.0003156300000000, -0.0010190500000000 ] - [ 0.0006315000000000, -0.0004448800000000, -0.0005485000000000 ] - [ -0.0013014600000000, -0.0014350000000000, 0.0009850000000000 ] - [ 0.0003140300000000, -0.0007606400000000, 0.0003140300000000 ] - [ 0.0000493600000000, -0.0001313000000000, 0.0000488100000000 ] - [ -0.0003374000000000, 0.0005159400000000, 0.0003853600000000 ] - [ 0.0003016600000000, 0.0002783800000000, -0.0005565600000000 ] - [ 0.0010867000000000, 0.0007121000000000, -0.0005379600000000 ] - [ 0.0001990400000000, -0.0002779700000000, 0.0005556500000000 ] - [ 0.0003661100000000, -0.0005884200000000, -0.0013317500000000 ] - [ -0.0002525600000000, -0.0004344900000000, -0.0002564300000000 ] - [ -0.0005695800000000, -0.0002356500000000, -0.0002965500000000 ] - [ 0.0001972300000000, 0.0003648800000000, -0.0000028600000000 ] - [ -0.0006274300000000, -0.0003543900000000, 0.0006845100000000 ] - [ -0.0009088100000000, 0.0008203200000000, 0.0013439700000000 ] - [ 0.0003031400000000, 0.0006816800000000, -0.0002962200000000 ] - [ -0.0001862700000000, -0.0000268800000000, 0.0006013300000000 ] - [ -0.0001381600000000, -0.0005483300000000, 0.0001123500000000 ] - [ -0.0000901600000000, 0.0009468300000000, 0.0000959100000000 ] - [ 0.0503487400000000, 0.0739239700000000, 0.0503487400000000 ] - [ 0.0003022000000000, 0.0004461000000000, -0.0000639800000000 ] - [ 0.0001806300000000, -0.0000308900000000, -0.0006116600000000 ] - [ -0.0012350200000000, 0.0007713500000000, 0.0007937400000000 ] - [ -0.0000639800000000, 0.0004461000000000, 0.0003022000000000 ] - [ 0.0000006100000000, -0.0002613400000000, 0.0000006100000000 ] - [ 0.0001123500000000, -0.0005483300000000, -0.0001381600000000 ] - [ 0.0008462200000000, -0.0000549600000000, 0.0002591200000000 ] - [ -0.0008907100000000, 0.0001643900000000, 0.0001468200000000 ] - [ 0.0011565700000000, -0.0000623600000000, -0.0004228600000000 ] - [ -0.0007935400000000, -0.0001840600000000, -0.0012087700000000 ] - [ 0.0000058400000000, 0.0010703400000000, 0.0000058400000000 ] - [ 0.0006845100000000, -0.0003543900000000, -0.0006274300000000 ] - [ -0.0004228600000000, -0.0000623600000000, 0.0011565700000000 ] - [ -0.0003880200000000, 0.0012670600000000, -0.0003880200000000 ] - [ -0.0001512400000000, 0.0001687600000000, 0.0008805100000000 ] - [ 0.0009930400000000, 0.0000776100000000, -0.0000737100000000 ] - [ -0.0007508200000000, -0.0011783300000000, 0.0007914800000000 ] - [ -0.0000028600000000, 0.0003648800000000, 0.0001972300000000 ] - [ -0.0000487700000000, -0.0006096000000000, 0.0000551100000000 ] - [ 0.0006013300000000, -0.0000268800000000, -0.0001862700000000 ] - [ -0.0006116600000000, -0.0000308900000000, 0.0001806300000000 ] - [ 0.0002622400000000, -0.0004376600000000, 0.0002582100000000 ] - [ 0.0000174400000000, 0.0001018000000000, 0.0000174400000000 ] - [ -0.0003939600000000, 0.0010658800000000, 0.0003878100000000 ] - [ 0.0003311100000000, 0.0003337400000000, -0.0006100700000000 ] - [ 0.0005915900000000, 0.0003348500000000, -0.0003094700000000 ] - [ 0.0003539400000000, -0.0002915500000000, 0.0006100200000000 ] - [ 0.0000711000000000, 0.0000747700000000, -0.0009752500000000 ] - [ -0.0002951600000000, -0.0007499300000000, -0.0002951600000000 ] - [ -0.0005696900000000, -0.0002800800000000, -0.0001907900000000 ] - [ -0.0003493600000000, 0.0000834700000000, -0.0001359200000000 ] - [ -0.0005625600000000, 0.0003793500000000, -0.0003245500000000 ] - [ -0.0002364700000000, 0.0002312300000000, 0.0005918100000000 ] - [ 0.0001771400000000, 0.0004461100000000, -0.0001398400000000 ] - [ -0.0005485000000000, -0.0004448800000000, 0.0006315000000000 ] - [ -0.0002225600000000, -0.0005491100000000, 0.0003004200000000 ] - [ 0.0000160800000000, 0.0007801100000000, 0.0000160800000000 ] - [ 0.0000038900000000, 0.0011776900000000, -0.0000019900000000 ] - [ 0.0000319400000000, 0.0000328000000000, 0.0009919400000000 ] - [ 0.0009850000000000, -0.0014350000000000, -0.0013014600000000 ] - [ -0.0008445500000000, 0.0002366400000000, 0.0000420600000000 ] - [ 0.0003853000000000, -0.0002003500000000, 0.0000139300000000 ] - [ 0.0000789700000000, -0.0011313700000000, -0.0000592400000000 ] - [ 0.0002663000000000, -0.0007008900000000, -0.0003581300000000 ] - [ 0.0012333000000000, -0.0001799700000000, 0.0000891200000000 ] - [ -0.0007852700000000, -0.0000771300000000, -0.0000516200000000 ] - [ 0.0005760100000000, 0.0003939700000000, 0.0003283500000000 ] - [ -0.0001907900000000, -0.0002800800000000, -0.0005696900000000 ] - [ -0.0001783100000000, 0.0008239800000000, -0.0004648900000000 ] - [ -0.0004003300000000, 0.0005449700000000, -0.0007013200000000 ] - [ 0.0004031400000000, 0.0005328800000000, 0.0006954600000000 ] - [ 0.0001767400000000, 0.0008885800000000, 0.0005253400000000 ] - [ 0.0007209600000000, -0.0006385100000000, 0.0004093500000000 ] - [ 0.0004093500000000, -0.0006385100000000, 0.0007209600000000 ] - [ 0.0001776300000000, 0.0004796800000000, 0.0001776300000000 ] - [ 0.0000556500000000, -0.0000444600000000, -0.0009469800000000 ] - [ 0.0009197000000000, -0.0000827700000000, 0.0009197000000000 ] - [ 0.0007004700000000, -0.0003971300000000, -0.0003626300000000 ] - [ -0.0006114400000000, -0.0004244000000000, 0.0003633400000000 ] - [ -0.0066154000000000, -0.0344918000000000, -0.0066154000000000 ] - [ 0.0000488100000000, -0.0001313000000000, 0.0000493600000000 ] - [ -0.0001398400000000, 0.0004461100000000, 0.0001771400000000 ] - [ 0.0000420600000000, 0.0002366400000000, -0.0008445500000000 ] - [ 0.0005918100000000, 0.0002312300000000, -0.0002364700000000 ] - [ 0.0000891200000000, -0.0001799700000000, 0.0012333000000000 ] - [ -0.0000516200000000, -0.0000771300000000, -0.0007852700000000 ] - [ -0.0002564300000000, -0.0004344900000000, -0.0002525600000000 ] - [ -0.0012087700000000, -0.0001840600000000, -0.0007935400000000 ] - [ -0.0009827600000000, 0.0000165600000000, -0.0000305500000000 ] - [ -0.0006006900000000, 0.0001521500000000, -0.0002181900000000 ] - [ -0.0003094700000000, 0.0003348500000000, 0.0005915900000000 ] - [ 0.0003878100000000, 0.0010658800000000, -0.0003939600000000 ] - [ -0.0002340200000000, -0.0001766000000000, 0.0005619800000000 ] - [ -0.0004594700000000, -0.0006990400000000, 0.0004391200000000 ] - [ 0.0000959100000000, 0.0009468300000000, -0.0000901600000000 ] - [ 0.0000032000000000, 0.0007272500000000, 0.0000032000000000 ] - [ 0.0000313100000000, 0.0000302900000000, 0.0009658500000000 ] - [ 0.0002359000000000, -0.0001831200000000, -0.0005543900000000 ] - [ -0.0006100700000000, 0.0003337400000000, 0.0003311100000000 ] - [ 0.0009658500000000, 0.0000302900000000, 0.0000313100000000 ] - [ -0.0000013700000000, -0.0008136200000000, -0.0000013700000000 ] - [ 0.0004391200000000, -0.0006990400000000, -0.0004594700000000 ] - [ 0.0006100200000000, -0.0002915500000000, 0.0003539400000000 ] - [ -0.0009752500000000, 0.0000747700000000, 0.0000711000000000 ] - [ 0.0006948300000000, 0.0002221500000000, 0.0002598400000000 ] - [ -0.0002965500000000, -0.0002356500000000, -0.0005695800000000 ] - [ -0.0008445700000000, 0.0010738400000000, -0.0008445700000000 ] - [ -0.0002181900000000, 0.0001521500000000, -0.0006006900000000 ] - [ 0.0002598400000000, 0.0002221500000000, 0.0006948300000000 ] - [ 0.0007434800000000, 0.0011788900000000, 0.0007434800000000 ] - [ -0.0000737100000000, 0.0000776100000000, 0.0009930400000000 ] - [ 0.0008805100000000, 0.0001687600000000, -0.0001512400000000 ] - [ 0.0007914800000000, -0.0011783300000000, -0.0007508200000000 ] - [ -0.0000305500000000, 0.0000165600000000, -0.0009827600000000 ] - [ 0.0000551100000000, -0.0006096000000000, -0.0000487700000000 ] - [ 0.0005619800000000, -0.0001766000000000, -0.0002340200000000 ] - [ -0.0005543900000000, -0.0001831200000000, 0.0002359000000000 ] - [ 0.0002582100000000, -0.0004376600000000, 0.0002622400000000 ] - [ -0.0006327500000000, 0.0022187900000000, -0.0006327500000000 ] - [ -0.0002962200000000, 0.0006816800000000, 0.0003031400000000 ] - [ 0.0007937400000000, 0.0007713500000000, -0.0012350200000000 ] - [ 0.0013439700000000, 0.0008203200000000, -0.0009088100000000 ] - [ 0.0002591200000000, -0.0000549600000000, 0.0008462200000000 ] - [ 0.0001468200000000, 0.0001643900000000, -0.0008907100000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000699300000000, 0.0001857000000000, 0.0000959500000000 ] - [ 0.0000959500000000, 0.0001857000000000, -0.0000699300000000 ] - [ 0.0000636800000000, -0.0003280300000000, 0.0002550600000000 ] - [ 0.0000382000000000, -0.0002804400000000, -0.0002047400000000 ] - [ -0.0000506800000000, 0.0002138300000000, -0.0001415800000000 ] - [ -0.0003615900000000, 0.0004991300000000, -0.0003615900000000 ] - [ 0.0000853200000000, 0.0002278900000000, 0.0001546600000000 ] - [ 0.0001338900000000, 0.0002035700000000, 0.0001338900000000 ] - [ -0.0004760700000000, -0.0015826600000000, 0.0007703800000000 ] - [ -0.0000632300000000, -0.0001211300000000, 0.0000699200000000 ] - [ 0.0001318300000000, -0.0000563200000000, 0.0001318300000000 ] - [ -0.0001006800000000, -0.0000525100000000, -0.0001006800000000 ] - [ 0.0001999500000000, 0.0001109600000000, -0.0001719700000000 ] - [ 0.0000112600000000, -0.0002578200000000, 0.0001115000000000 ] - [ -0.0001719700000000, 0.0001109600000000, 0.0001999500000000 ] - [ -0.0000256700000000, -0.0002134600000000, -0.0003150100000000 ] - [ -0.0001100100000000, 0.0002233700000000, 0.0000781100000000 ] - [ 0.0000781100000000, 0.0002233700000000, -0.0001100100000000 ] - [ 0.0002550600000000, -0.0003280300000000, 0.0000636800000000 ] - [ -0.0002047400000000, -0.0002804400000000, 0.0000382000000000 ] - [ 0.0001546600000000, 0.0002278900000000, 0.0000853200000000 ] - [ -0.0001251100000000, 0.0002629700000000, -0.0001251100000000 ] - [ -0.0001415800000000, 0.0002138300000000, -0.0000506800000000 ] - [ 0.0003506200000000, 0.0005222200000000, 0.0003506200000000 ] - [ 0.0000699200000000, -0.0001211300000000, -0.0000632300000000 ] - [ 0.0007703800000000, -0.0015826600000000, -0.0004760700000000 ] - [ -0.0005371400000000, 0.0005044600000000, -0.0005371400000000 ] - [ 0.0003922700000000, 0.0007594100000000, 0.0003922700000000 ] - [ -0.0017114900000000, 0.0025181000000000, -0.0010373900000000 ] - [ 0.0001115000000000, -0.0002578200000000, 0.0000112600000000 ] - [ -0.0010373900000000, 0.0025181000000000, -0.0017114900000000 ] - [ -0.0003150100000000, -0.0002134600000000, -0.0000256700000000 ] - [ 0.0005747900000000, -0.0002248400000000, 0.0002427300000000 ] - [ -0.0000406700000000, 0.0004815700000000, -0.0002606900000000 ] - [ -0.0000535500000000, 0.0005081200000000, 0.0003371200000000 ] - [ 0.0002427300000000, -0.0002248400000000, 0.0005747900000000 ] - [ -0.0000651800000000, 0.0002237800000000, 0.0000633800000000 ] - [ -0.0035706100000000, -0.0046353900000000, -0.0035706100000000 ] - [ 0.0062998000000000, -0.0002728800000000, 0.0062998000000000 ] - [ -0.0002518700000000, 0.0011036000000000, 0.0001503900000000 ] - [ -0.0000101000000000, -0.0005708000000000, 0.0001476900000000 ] - [ -0.0002606900000000, 0.0004815700000000, -0.0000406700000000 ] - [ 0.0003371200000000, 0.0005081200000000, -0.0000535500000000 ] - [ 0.0001476900000000, -0.0005708000000000, -0.0000101000000000 ] - [ 0.0001503900000000, 0.0011036000000000, -0.0002518700000000 ] - [ 0.0003725200000000, -0.0003560100000000, 0.0003725200000000 ] - [ -0.0003472000000000, -0.0004523900000000, -0.0003472000000000 ] - [ 0.0000633800000000, 0.0002237800000000, -0.0000651800000000 ] - [ -0.0003357400000000, -0.0004504800000000, -0.0008926100000000 ] - [ 0.0003732500000000, 0.0000474200000000, -0.0008665700000000 ] - [ 0.0000027500000000, 0.0001568700000000, 0.0000027500000000 ] - [ -0.0007101800000000, 0.0007277400000000, -0.0007101800000000 ] - [ 0.0001456700000000, -0.0001223700000000, -0.0000456500000000 ] - [ 0.0000380100000000, 0.0000083500000000, 0.0000061600000000 ] - [ -0.0000456500000000, -0.0001223700000000, 0.0001456700000000 ] - [ -0.0004877300000000, 0.0003533500000000, 0.0007797200000000 ] - [ -0.0001700000000000, -0.0002294400000000, 0.0001695200000000 ] - [ -0.0008665700000000, 0.0000474200000000, 0.0003732500000000 ] - [ 0.0000186600000000, -0.0000668100000000, 0.0000662700000000 ] - [ 0.0000054900000000, 0.0002949200000000, 0.0000030700000000 ] - [ 0.0004264200000000, 0.0003009800000000, -0.0014174000000000 ] - [ 0.0001163400000000, 0.0000976500000000, -0.0000144800000000 ] - [ -0.0002748000000000, -0.0000210800000000, 0.0002868300000000 ] - [ 0.0000418200000000, 0.0005342000000000, 0.0000710000000000 ] - [ -0.0002922100000000, 0.0002748500000000, -0.0001144900000000 ] - [ -0.0014174000000000, 0.0003009800000000, 0.0004264200000000 ] - [ 0.0000408300000000, 0.0000861600000000, -0.0001025900000000 ] - [ -0.0004670900000000, 0.0002857000000000, 0.0016091100000000 ] - [ 0.0000031500000000, 0.0009794300000000, 0.0000031500000000 ] - [ 0.0000934700000000, 0.0002735500000000, 0.0002889600000000 ] - [ 0.0016091100000000, 0.0002857000000000, -0.0004670900000000 ] - [ -0.0737132800000000, -0.1758662900000000, -0.0737132800000000 ] - [ 0.0000061600000000, 0.0000083500000000, 0.0000380100000000 ] - [ -0.0001036000000000, -0.0000852900000000, 0.0002463900000000 ] - [ -0.0000010300000000, -0.0002618800000000, -0.0000010300000000 ] - [ 0.0004274100000000, 0.0012147900000000, 0.0004274100000000 ] - [ 0.0013318100000000, -0.0012099300000000, -0.0004956300000000 ] - [ -0.0008926100000000, -0.0004504800000000, -0.0003357400000000 ] - [ -0.0004956300000000, -0.0012099300000000, 0.0013318100000000 ] - [ 0.0000662700000000, -0.0000668100000000, 0.0000186600000000 ] - [ 0.0001695200000000, -0.0002294400000000, -0.0001700000000000 ] - [ 0.0002463900000000, -0.0000852900000000, -0.0001036000000000 ] - [ 0.0007797200000000, 0.0003533500000000, -0.0004877300000000 ] - [ 0.0000030700000000, 0.0002949200000000, 0.0000054900000000 ] - [ 0.0000826200000000, 0.0000848800000000, 0.0000005100000000 ] - [ 0.0002889600000000, 0.0002735500000000, 0.0000934700000000 ] - [ 0.0002868300000000, -0.0000210800000000, -0.0002748000000000 ] - [ 0.0000710000000000, 0.0005342000000000, 0.0000418200000000 ] - [ -0.0001025900000000, 0.0000861600000000, 0.0000408300000000 ] - [ 0.0000005100000000, 0.0000848800000000, 0.0000826200000000 ] - [ -0.0001144900000000, 0.0002748500000000, -0.0002922100000000 ] - [ -0.0000745500000000, 0.0000715100000000, -0.0000285100000000 ] - [ -0.0000010500000000, 0.0002062900000000, -0.0000010500000000 ] - [ -0.0000144800000000, 0.0000976500000000, 0.0001163400000000 ] - [ -0.0000285100000000, 0.0000715100000000, -0.0000745500000000 ] - [ 0.0000166800000000, -0.0003276600000000, 0.0000166800000000 ] - [ 0.1168938600000000, 0.2195395300000000, 0.1168938600000000 ] - [ 0.0001369400000000, -0.0004000800000000, -0.0006191200000000 ] - [ -0.0009315600000000, 0.0000435600000000, -0.0000548800000000 ] - [ -0.0004990200000000, 0.0000270600000000, -0.0001711600000000 ] - [ -0.0000336200000000, -0.0001401400000000, 0.0001182600000000 ] - [ 0.0001837700000000, 0.0006827000000000, -0.0002329700000000 ] - [ -0.0002073900000000, -0.0001739200000000, 0.0004993900000000 ] - [ -0.0002131800000000, -0.0005011900000000, 0.0003043000000000 ] - [ -0.0000532100000000, 0.0008226500000000, -0.0000532100000000 ] - [ 0.0000018900000000, 0.0007027500000000, -0.0000039800000000 ] - [ -0.0000152600000000, 0.0001971500000000, 0.0014917900000000 ] - [ 0.0002075800000000, -0.0001469200000000, -0.0005891500000000 ] - [ -0.0006441200000000, 0.0002920800000000, 0.0002686500000000 ] - [ 0.0008881800000000, -0.0000339100000000, -0.0000332400000000 ] - [ 0.0000595800000000, -0.0007468600000000, -0.0000789200000000 ] - [ 0.0002701300000000, -0.0006505700000000, -0.0003470800000000 ] - [ 0.0006430100000000, -0.0002914900000000, 0.0003702600000000 ] - [ -0.0005577100000000, 0.0005804000000000, -0.0003735900000000 ] - [ 0.0005051900000000, 0.0000387200000000, 0.0001674800000000 ] - [ -0.0006191200000000, -0.0004000800000000, 0.0001369400000000 ] - [ -0.0001081400000000, 0.0003787900000000, -0.0003925000000000 ] - [ -0.0002456000000000, 0.0001910500000000, -0.0006367500000000 ] - [ 0.0002416900000000, 0.0001763500000000, 0.0006220500000000 ] - [ 0.0000495700000000, 0.0003153500000000, 0.0003943400000000 ] - [ -0.0000990300000000, 0.0001014800000000, 0.0009496900000000 ] - [ 0.0009496900000000, 0.0001014800000000, -0.0000990300000000 ] - [ 0.0001966700000000, -0.0004687700000000, 0.0001966700000000 ] - [ 0.0001361300000000, -0.0000836100000000, -0.0015278900000000 ] - [ 0.0010121000000000, -0.0015561000000000, 0.0010121000000000 ] - [ 0.0005761900000000, -0.0001487000000000, -0.0000380600000000 ] - [ 0.0000942600000000, 0.0008504100000000, -0.0004096600000000 ] - [ 0.0002565500000000, -0.0004400100000000, 0.0002565500000000 ] - [ -0.0000506400000000, 0.0001318800000000, -0.0000480400000000 ] - [ -0.0002329700000000, 0.0006827000000000, 0.0001837700000000 ] - [ 0.0002686500000000, 0.0002920800000000, -0.0006441200000000 ] - [ 0.0001182600000000, -0.0001401400000000, -0.0000336200000000 ] - [ 0.0003702600000000, -0.0002914900000000, 0.0006430100000000 ] - [ -0.0003735900000000, 0.0005804000000000, -0.0005577100000000 ] - [ -0.0003178200000000, -0.0007644900000000, -0.0003145500000000 ] - [ -0.0006313000000000, -0.0003365500000000, -0.0002762200000000 ] - [ -0.0020789000000000, -0.0003640400000000, -0.0000007900000000 ] - [ -0.0005730500000000, 0.0009255400000000, -0.0012388900000000 ] - [ 0.0003396900000000, -0.0002502700000000, -0.0001463100000000 ] - [ 0.0002665800000000, 0.0005184900000000, -0.0002738900000000 ] - [ -0.0003843900000000, -0.0005426800000000, 0.0005994400000000 ] - [ -0.0004317300000000, -0.0006505900000000, 0.0004580300000000 ] - [ 0.0000899100000000, 0.0009320200000000, -0.0000958900000000 ] - [ -0.0518246300000000, -0.0739088900000000, -0.0518246300000000 ] - [ -0.0002972900000000, -0.0004411900000000, 0.0019389000000000 ] - [ 0.0003905000000000, -0.0005390200000000, -0.0005884800000000 ] - [ 0.0000325400000000, -0.0001961400000000, -0.0002190500000000 ] - [ 0.0019389000000000, -0.0004411900000000, -0.0002972900000000 ] - [ -0.0000003700000000, -0.0016118900000000, -0.0000003700000000 ] - [ 0.0004580300000000, -0.0006505900000000, -0.0004317300000000 ] - [ 0.0003540300000000, -0.0005160400000000, 0.0003115200000000 ] - [ -0.0009867800000000, -0.0001639400000000, -0.0001458600000000 ] - [ 0.0000419500000000, 0.0006271200000000, 0.0009508400000000 ] - [ 0.0002179300000000, -0.0003879200000000, 0.0000053700000000 ] - [ -0.0005739500000000, 0.0001268200000000, -0.0005739500000000 ] - [ -0.0012388900000000, 0.0009255400000000, -0.0005730500000000 ] - [ 0.0009508400000000, 0.0006271200000000, 0.0000419500000000 ] - [ 0.0009525500000000, -0.0000614300000000, 0.0009525500000000 ] - [ 0.0001505500000000, -0.0001684500000000, 0.0009976100000000 ] - [ 0.0008842900000000, -0.0000771400000000, 0.0000735000000000 ] - [ 0.0007424300000000, 0.0011616300000000, -0.0007786300000000 ] - [ -0.0000007900000000, -0.0003640400000000, -0.0020789000000000 ] - [ 0.0000479900000000, -0.0012669300000000, -0.0000536500000000 ] - [ 0.0005994400000000, -0.0005426800000000, -0.0003843900000000 ] - [ -0.0005884800000000, -0.0005390200000000, 0.0003905000000000 ] - [ 0.0003082500000000, -0.0007615700000000, 0.0003128000000000 ] - [ -0.0000183300000000, -0.0001008500000000, -0.0000183300000000 ] - [ -0.0001754800000000, 0.0001350000000000, 0.0001816300000000 ] - [ 0.0002388200000000, 0.0002371100000000, -0.0005894200000000 ] - [ 0.0006075300000000, 0.0002362600000000, -0.0002611100000000 ] - [ 0.0002171100000000, -0.0002794100000000, 0.0005900100000000 ] - [ -0.0000707700000000, -0.0000743600000000, -0.0009039300000000 ] - [ -0.0002759300000000, -0.0004502900000000, -0.0002759300000000 ] - [ -0.0006303600000000, -0.0002909100000000, -0.0003807500000000 ] - [ -0.0015278900000000, -0.0000836100000000, 0.0001361300000000 ] - [ -0.0006367500000000, 0.0001910500000000, -0.0002456000000000 ] - [ -0.0003334000000000, 0.0003382900000000, 0.0006079200000000 ] - [ 0.0003930100000000, 0.0007523400000000, -0.0004293800000000 ] - [ -0.0000380600000000, -0.0001487000000000, 0.0005761900000000 ] - [ -0.0003470800000000, -0.0006505700000000, 0.0002701300000000 ] - [ -0.0000150300000000, 0.0010922100000000, -0.0000150300000000 ] - [ -0.0000039800000000, 0.0007027500000000, 0.0000018900000000 ] - [ -0.0000332400000000, -0.0000339100000000, 0.0008881800000000 ] - [ -0.0004096600000000, 0.0008504100000000, 0.0000942600000000 ] - [ -0.0003521700000000, 0.0003264800000000, 0.0005239700000000 ] - [ 0.0014917900000000, 0.0001971500000000, -0.0000152600000000 ] - [ -0.0000789200000000, -0.0007468600000000, 0.0000595800000000 ] - [ 0.0003043000000000, -0.0005011900000000, -0.0002131800000000 ] - [ -0.0000340000000000, -0.0003897600000000, 0.0004827200000000 ] - [ -0.0010926300000000, 0.0000772500000000, 0.0000518700000000 ] - [ 0.0006220500000000, 0.0001763500000000, 0.0002416900000000 ] - [ -0.0003807500000000, -0.0002909100000000, -0.0006303600000000 ] - [ -0.0003925000000000, 0.0003787900000000, -0.0001081400000000 ] - [ -0.0001711600000000, 0.0000270600000000, -0.0004990200000000 ] - [ 0.0001674800000000, 0.0000387200000000, 0.0005051900000000 ] - [ 0.0003943400000000, 0.0003153500000000, 0.0000495700000000 ] - [ -0.0007133100000000, 0.0006447200000000, 0.0014644500000000 ] - [ 0.0014644500000000, 0.0006447200000000, -0.0007133100000000 ] - [ -0.0001752900000000, -0.0004756400000000, -0.0001752900000000 ] - [ -0.0000548800000000, 0.0000435600000000, -0.0009315600000000 ] - [ -0.0009272000000000, -0.0018009400000000, -0.0009272000000000 ] - [ 0.0004993900000000, -0.0001739200000000, -0.0002073900000000 ] - [ -0.0005891500000000, -0.0001469200000000, 0.0002075800000000 ] - [ 0.0077493800000000, 0.0333958000000000, 0.0077493800000000 ] - [ -0.0000480400000000, 0.0001318800000000, -0.0000506400000000 ] - [ -0.0004293800000000, 0.0007523400000000, 0.0003930100000000 ] - [ 0.0005239700000000, 0.0003264800000000, -0.0003521700000000 ] - [ 0.0006079200000000, 0.0003382900000000, -0.0003334000000000 ] - [ 0.0004827200000000, -0.0003897600000000, -0.0000340000000000 ] - [ 0.0000518700000000, 0.0000772500000000, -0.0010926300000000 ] - [ -0.0003145500000000, -0.0007644900000000, -0.0003178200000000 ] - [ 0.0000053700000000, -0.0003879200000000, 0.0002179300000000 ] - [ -0.0008968000000000, -0.0000161100000000, 0.0000302400000000 ] - [ -0.0005993900000000, 0.0004182600000000, -0.0003526200000000 ] - [ -0.0002611100000000, 0.0002362600000000, 0.0006075300000000 ] - [ 0.0001816300000000, 0.0001350000000000, -0.0001754800000000 ] - [ -0.0003361300000000, -0.0003929100000000, 0.0006366900000000 ] - [ -0.0001110800000000, -0.0004997700000000, 0.0001312600000000 ] - [ -0.0000958900000000, 0.0009320200000000, 0.0000899100000000 ] - [ -0.0000041100000000, 0.0011517700000000, -0.0000041100000000 ] - [ -0.0000313800000000, -0.0000303200000000, 0.0009130000000000 ] - [ 0.0003340600000000, -0.0003863300000000, -0.0006448100000000 ] - [ -0.0005894200000000, 0.0002371100000000, 0.0002388200000000 ] - [ 0.0009130000000000, -0.0000303200000000, -0.0000313800000000 ] - [ 0.0000013900000000, -0.0010611300000000, 0.0000013900000000 ] - [ 0.0001312600000000, -0.0004997700000000, -0.0001110800000000 ] - [ 0.0005900100000000, -0.0002794100000000, 0.0002171100000000 ] - [ -0.0009039300000000, -0.0000743600000000, -0.0000707700000000 ] - [ 0.0005052800000000, 0.0003486500000000, 0.0003114500000000 ] - [ -0.0002762200000000, -0.0003365500000000, -0.0006313000000000 ] - [ 0.0002699100000000, 0.0001292500000000, 0.0002699100000000 ] - [ -0.0003526200000000, 0.0004182600000000, -0.0005993900000000 ] - [ 0.0003114500000000, 0.0003486500000000, 0.0005052800000000 ] - [ -0.0001741200000000, 0.0000174400000000, -0.0001741200000000 ] - [ 0.0000735000000000, -0.0000771400000000, 0.0008842900000000 ] - [ 0.0009976100000000, -0.0001684500000000, 0.0001505500000000 ] - [ -0.0007786300000000, 0.0011616300000000, 0.0007424300000000 ] - [ 0.0000302400000000, -0.0000161100000000, -0.0008968000000000 ] - [ -0.0000536500000000, -0.0012669300000000, 0.0000479900000000 ] - [ 0.0006366900000000, -0.0003929100000000, -0.0003361300000000 ] - [ -0.0006448100000000, -0.0003863300000000, 0.0003340600000000 ] - [ 0.0003128000000000, -0.0007615700000000, 0.0003082500000000 ] - [ 0.0006169000000000, -0.0021560800000000, 0.0006169000000000 ] - [ -0.0002738900000000, 0.0005184900000000, 0.0002665800000000 ] - [ -0.0002190500000000, -0.0001961400000000, 0.0000325400000000 ] - [ -0.0001463100000000, -0.0002502700000000, 0.0003396900000000 ] - [ 0.0003115200000000, -0.0005160400000000, 0.0003540300000000 ] - [ -0.0001458600000000, -0.0001639400000000, -0.0009867800000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000838700000000, -0.0002336900000000, -0.0002686700000000 ] - [ 0.0001396900000000, -0.0001397300000000, -0.0000667900000000 ] - [ 0.0001580000000000, -0.0001868600000000, 0.0001978800000000 ] - [ -0.0001217500000000, -0.0001492700000000, -0.0000806000000000 ] - [ 0.0000931700000000, 0.0000651100000000, -0.0000542500000000 ] - [ -0.0000552700000000, 0.0002853600000000, -0.0001054900000000 ] - [ -0.0001303000000000, 0.0001032300000000, 0.0001720800000000 ] - [ 0.0007170700000000, 0.0002894500000000, -0.0001138400000000 ] - [ -0.0001939600000000, 0.0000343000000000, 0.0001452900000000 ] - [ -0.0004504100000000, 0.0000289300000000, -0.0003714700000000 ] - [ 0.0002103600000000, -0.0000357800000000, -0.0000495900000000 ] - [ -0.0006808900000000, 0.0008923500000000, -0.0013379900000000 ] - [ 0.0000336100000000, 0.0002134600000000, -0.0002983600000000 ] - [ -0.0001660900000000, 0.0000182900000000, -0.0005199100000000 ] - [ 0.0004086900000000, 0.0011425100000000, -0.0010977500000000 ] - [ 0.0001131500000000, 0.0001114900000000, 0.0001843600000000 ] - [ -0.0001581200000000, -0.0001950100000000, 0.0001970800000000 ] - [ -0.0001591600000000, -0.0002290800000000, -0.0001855100000000 ] - [ 0.0001485700000000, -0.0004369600000000, 0.0000737100000000 ] - [ -0.0001509200000000, -0.0004510800000000, -0.0002282100000000 ] - [ 0.0001038400000000, -0.0001861500000000, -0.0001777700000000 ] - [ -0.0001642700000000, 0.0001731500000000, -0.0001653600000000 ] - [ -0.0001009100000000, -0.0002011800000000, 0.0000227400000000 ] - [ -0.0001483500000000, 0.0002084100000000, 0.0002416400000000 ] - [ -0.0000914900000000, -0.0000811700000000, 0.0000889500000000 ] - [ 0.0003971100000000, -0.0000433100000000, -0.0000104900000000 ] - [ 0.0001325600000000, -0.0000272600000000, 0.0003315200000000 ] - [ -0.0000899200000000, 0.0000028600000000, 0.0001194600000000 ] - [ 0.0001209400000000, 0.0002254600000000, 0.0000816300000000 ] - [ -0.0000957200000000, 0.0000575100000000, -0.0000554200000000 ] - [ -0.0001631600000000, 0.0002547900000000, 0.0003687700000000 ] - [ 0.0004084700000000, 0.0000235200000000, 0.0000668900000000 ] - [ 0.0000830200000000, 0.0001487600000000, 0.0001977600000000 ] - [ -0.0002394500000000, 0.0005309000000000, -0.0005294300000000 ] - [ -0.0025168400000000, 0.0018943900000000, 0.0012630000000000 ] - [ 0.0002295900000000, 0.0005356500000000, -0.0005295800000000 ] - [ -0.0000400900000000, -0.0001189700000000, -0.0001825900000000 ] - [ 0.0000378100000000, -0.0001988900000000, 0.0001315800000000 ] - [ -0.0003333200000000, -0.0006447600000000, 0.0006309400000000 ] - [ -0.0000393700000000, -0.0002001000000000, 0.0001310700000000 ] - [ 0.0025758900000000, 0.0018012200000000, 0.0013832600000000 ] - [ 0.0002581000000000, -0.0000953500000000, 0.0005389900000000 ] - [ -0.0000894100000000, 0.0001496000000000, 0.0001997600000000 ] - [ -0.0002534100000000, -0.0000992800000000, 0.0005421800000000 ] - [ 0.0003361400000000, -0.0006496000000000, 0.0006353300000000 ] - [ -0.0004189900000000, -0.0006146500000000, 0.0001678000000000 ] - [ 0.0000354000000000, -0.0001224600000000, -0.0001824100000000 ] - [ 0.0004227700000000, -0.0006106000000000, 0.0001651800000000 ] - [ 0.0010715800000000, 0.0009956900000000, -0.0007596700000000 ] - [ 0.0000204700000000, 0.0000323100000000, 0.0001810300000000 ] - [ -0.0000169100000000, 0.0001484400000000, 0.0000255300000000 ] - [ -0.0000047200000000, -0.0001267700000000, -0.0000159500000000 ] - [ 0.0000933200000000, -0.0001014500000000, -0.0001952500000000 ] - [ -0.0000389000000000, 0.0000117900000000, 0.0000324700000000 ] - [ 0.0000606300000000, 0.0000167800000000, -0.0000277100000000 ] - [ -0.0010745200000000, 0.0010021200000000, -0.0006781500000000 ] - [ 0.0008507500000000, -0.0005449100000000, -0.0009199400000000 ] - [ 0.0001014500000000, -0.0001348600000000, -0.0001207700000000 ] - [ 0.0009181900000000, 0.0969101800000000, -0.0186538700000000 ] - [ -0.0008537600000000, -0.0006190200000000, -0.0009221600000000 ] - [ -0.0002336600000000, -0.0002134800000000, -0.0000395200000000 ] - [ -0.0000956800000000, -0.0001037000000000, -0.0001271600000000 ] - [ 0.0000032800000000, -0.0001935800000000, -0.0000144700000000 ] - [ 0.0000137000000000, 0.0002169000000000, 0.0000220900000000 ] - [ -0.0000222000000000, 0.0000338400000000, 0.0001134700000000 ] - [ -0.0000353100000000, 0.0000003300000000, -0.0000066200000000 ] - [ -0.0001319800000000, 0.0000168700000000, -0.0000279400000000 ] - [ 0.0002329500000000, -0.0002129400000000, 0.0000295200000000 ] - [ -0.0001984400000000, 0.0000245100000000, 0.0001858100000000 ] - [ -0.0000338500000000, -0.0001378000000000, -0.0001235700000000 ] - [ 0.0000353700000000, -0.0001709100000000, 0.0001701400000000 ] - [ 0.0001979800000000, -0.0000423600000000, 0.0001858400000000 ] - [ 0.0002661000000000, 0.0003027100000000, 0.0001320000000000 ] - [ -0.0011842500000000, -0.0011497100000000, -0.0005530400000000 ] - [ 0.0000573000000000, 0.0018662600000000, 0.0004233900000000 ] - [ -0.0000182700000000, -0.0003358300000000, -0.0000225300000000 ] - [ -0.0000228600000000, 0.0000332600000000, 0.0002860700000000 ] - [ -0.0000323100000000, 0.0003010900000000, 0.0002964000000000 ] - [ 0.0019226900000000, -0.0005908500000000, 0.0005935400000000 ] - [ -0.0002661700000000, 0.0003043000000000, 0.0002080000000000 ] - [ -0.0000902100000000, -0.0000008100000000, 0.0000857200000000 ] - [ -0.0002208600000000, -0.0000047400000000, -0.0000066300000000 ] - [ 0.0000319500000000, -0.0000308300000000, 0.0000056200000000 ] - [ 0.0000905900000000, -0.0000678200000000, 0.0000861400000000 ] - [ -0.0000742900000000, -0.0000706900000000, 0.0000067800000000 ] - [ 0.0000242200000000, 0.0000351000000000, 0.0003551300000000 ] - [ 0.0000192000000000, -0.0004047900000000, -0.0000236200000000 ] - [ -0.0000559500000000, 0.0019355300000000, 0.0004167500000000 ] - [ 0.0011885600000000, -0.0011428300000000, -0.0006039000000000 ] - [ -0.0000332300000000, -0.0003938300000000, -0.0004036200000000 ] - [ -0.0020083700000000, -0.0005963000000000, 0.0005989700000000 ] - [ 0.0000744400000000, -0.0000708700000000, 0.0000738900000000 ] - [ 0.0004513800000000, 0.0001396500000000, -0.0004350800000000 ] - [ 0.0002879900000000, -0.0000046600000000, -0.0000069100000000 ] - [ 0.0000327400000000, -0.0000076300000000, 0.0000367600000000 ] - [ -0.0004529500000000, 0.0000627500000000, -0.0004375000000000 ] - [ -0.0003932700000000, -0.0006461600000000, -0.0004159900000000 ] - [ -0.0006027900000000, -0.0002653500000000, -0.0003010200000000 ] - [ -0.0016581600000000, -0.0861700300000000, 0.0512048200000000 ] - [ 0.0004165700000000, 0.0008134100000000, -0.0008257400000000 ] - [ 0.0002365300000000, -0.0001777800000000, 0.0005971600000000 ] - [ 0.0003402300000000, 0.0006331000000000, -0.0003653700000000 ] - [ 0.0005914600000000, 0.0006775600000000, 0.0002368100000000 ] - [ -0.0004396900000000, -0.0011878800000000, 0.0005199300000000 ] - [ -0.0000353100000000, 0.0008088300000000, 0.0000287000000000 ] - [ 0.0005116100000000, 0.0013803400000000, 0.0002640100000000 ] - [ -0.0002627500000000, -0.0006487200000000, 0.0014193400000000 ] - [ 0.0001828200000000, -0.0002635400000000, -0.0005040500000000 ] - [ -0.0006005400000000, 0.0002429100000000, 0.0002882800000000 ] - [ 0.0009459100000000, -0.0000492000000000, -0.0000002100000000 ] - [ -0.0005109400000000, -0.0005091000000000, 0.0002662900000000 ] - [ 0.0003337100000000, -0.0007033900000000, -0.0002741000000000 ] - [ 0.0005991700000000, -0.0002233900000000, 0.0003253800000000 ] - [ -0.0010067500000000, 0.0000315500000000, 0.0000395300000000 ] - [ 0.0006565300000000, 0.0003029400000000, 0.0004368700000000 ] - [ -0.0001792600000000, -0.0001214300000000, -0.0005467300000000 ] - [ -0.0001433400000000, 0.0000189000000000, -0.0000534900000000 ] - [ -0.0011904800000000, 0.0012833500000000, -0.0009769800000000 ] - [ 0.0003963700000000, 0.0003150500000000, 0.0007008600000000 ] - [ 0.0002459800000000, 0.0005020800000000, 0.0003042400000000 ] - [ -0.0000206400000000, 0.0000097700000000, 0.0010601700000000 ] - [ 0.0008807600000000, 0.0000042500000000, 0.0000259200000000 ] - [ -0.0002634000000000, -0.0002187900000000, -0.0000293000000000 ] - [ 0.0002675200000000, -0.0006479700000000, -0.0004781500000000 ] - [ -0.0000105000000000, -0.0008273500000000, 0.0000104000000000 ] - [ 0.0005488500000000, -0.0002759100000000, -0.0001413700000000 ] - [ -0.0016151900000000, 0.0002308900000000, -0.0002443000000000 ] - [ 0.0003852000000000, -0.0007989000000000, 0.0006142200000000 ] - [ 0.0000004900000000, 0.0000727200000000, -0.0001007700000000 ] - [ -0.0008750500000000, 0.0009652500000000, 0.0009106700000000 ] - [ 0.0001401000000000, 0.0001629200000000, -0.0006145700000000 ] - [ 0.0006015400000000, 0.0002608800000000, -0.0003504900000000 ] - [ 0.0002363300000000, -0.0002264400000000, 0.0005708400000000 ] - [ -0.0000095500000000, -0.0000185000000000, -0.0010498200000000 ] - [ 0.0003013500000000, -0.0002368100000000, 0.0003364000000000 ] - [ -0.0005996200000000, -0.0003314300000000, -0.0002861800000000 ] - [ -0.0009446600000000, 0.0002125100000000, -0.0002074900000000 ] - [ -0.0015231300000000, 0.0009849600000000, -0.0009881300000000 ] - [ -0.0003970200000000, 0.0004550100000000, 0.0006580500000000 ] - [ 0.0001931700000000, 0.0004015200000000, 0.0000397900000000 ] - [ -0.0002739800000000, -0.0002781600000000, 0.0004567200000000 ] - [ -0.0002474700000000, -0.0004385600000000, 0.0002801700000000 ] - [ 0.0000109500000000, 0.0010574500000000, 0.0000092100000000 ] - [ -0.0000753000000000, 0.0009440700000000, -0.0000841100000000 ] - [ 0.0000867900000000, 0.0000915900000000, 0.0009512200000000 ] - [ 0.0003380900000000, -0.0003029900000000, -0.0006770500000000 ] - [ -0.0005999700000000, 0.0003089700000000, 0.0002733000000000 ] - [ 0.0009417800000000, 0.0000187100000000, -0.0000002900000000 ] - [ 0.0000757400000000, -0.0009410900000000, -0.0000842100000000 ] - [ 0.0002476700000000, -0.0005244400000000, -0.0002884000000000 ] - [ 0.0006049700000000, -0.0003165100000000, 0.0002265900000000 ] - [ -0.0008789100000000, 0.0000326100000000, 0.0000407800000000 ] - [ 0.0006174900000000, 0.0003634100000000, 0.0003512500000000 ] - [ -0.0008052900000000, -0.0007450700000000, -0.0005982400000000 ] - [ -0.0003306200000000, 0.0007661500000000, -0.0002977200000000 ] - [ -0.0003053000000000, 0.0003002700000000, -0.0007490300000000 ] - [ 0.0002398500000000, 0.0002750400000000, 0.0005290300000000 ] - [ 0.0003289500000000, 0.0006804900000000, 0.0002885600000000 ] - [ 0.0000098500000000, -0.0000196200000000, 0.0008357700000000 ] - [ 0.0010079200000000, 0.0000044900000000, 0.0000261800000000 ] - [ 0.0002554000000000, -0.0002137200000000, -0.0000238300000000 ] - [ -0.0000866100000000, 0.0000912300000000, -0.0009354000000000 ] - [ 0.0000366300000000, -0.0010775300000000, 0.0000306000000000 ] - [ 0.0005865300000000, -0.0002116500000000, -0.0002239600000000 ] - [ 0.0003239000000000, 0.0004114800000000, -0.0004150200000000 ] - [ 0.0002372000000000, -0.0005723500000000, 0.0002115400000000 ] - [ -0.0000006400000000, -0.0002324400000000, 0.0005825000000000 ] - [ -0.0001816800000000, 0.0005577600000000, 0.0001588700000000 ] - [ 0.0003403400000000, 0.0003497800000000, -0.0006343900000000 ] - [ 0.0006074800000000, 0.0003539400000000, -0.0002521000000000 ] - [ 0.0004376500000000, -0.0004103300000000, 0.0005848000000000 ] - [ 0.0000221500000000, 0.0000114900000000, -0.0008270100000000 ] - [ -0.0000284500000000, -0.0005167700000000, -0.0000626200000000 ] - [ -0.0005247100000000, 0.0000018400000000, -0.0001008400000000 ] - [ -0.0009429500000000, 0.0000247500000000, -0.0000091200000000 ] - [ -0.0005525400000000, 0.0002147000000000, -0.0002983900000000 ] - [ -0.0000587600000000, 0.0001008600000000, 0.0004640500000000 ] - [ -0.0002935000000000, 0.0010439600000000, 0.0003962000000000 ] - [ -0.0003066700000000, -0.0002864900000000, 0.0005322200000000 ] - [ -0.0002992800000000, -0.0006785600000000, 0.0002935000000000 ] - [ 0.0006417500000000, -0.0003947100000000, -0.0007487400000000 ] - [ -0.0000754500000000, 0.0009703400000000, -0.0000869200000000 ] - [ -0.0000988000000000, -0.0000956100000000, 0.0007805700000000 ] - [ 0.0003328000000000, -0.0003558900000000, -0.0007537100000000 ] - [ -0.0005438700000000, 0.0001276200000000, 0.0000807700000000 ] - [ 0.0009419800000000, -0.0001208500000000, -0.0001426000000000 ] - [ 0.0000756200000000, -0.0009154700000000, -0.0000865400000000 ] - [ 0.0004810000000000, -0.0012419400000000, -0.0005819700000000 ] - [ 0.0005982500000000, -0.0001570800000000, 0.0001515100000000 ] - [ -0.0007759900000000, 0.0000321500000000, -0.0000402700000000 ] - [ 0.0005123400000000, 0.0002595600000000, 0.0002513200000000 ] - [ -0.0002386700000000, -0.0002204800000000, -0.0006334800000000 ] - [ -0.0002755800000000, 0.0005261100000000, -0.0002824500000000 ] - [ -0.0002709400000000, 0.0002911100000000, -0.0006744400000000 ] - [ 0.0002434900000000, 0.0002210900000000, 0.0004518900000000 ] - [ 0.0000914600000000, -0.0000409800000000, -0.0000083500000000 ] - [ 0.0000290400000000, 0.0000110200000000, 0.0007158300000000 ] - [ -0.0004950300000000, 0.0015941400000000, -0.0015462200000000 ] - [ 0.0001517400000000, -0.0000039900000000, -0.0000194600000000 ] - [ 0.0000982300000000, -0.0000963600000000, -0.0011110400000000 ] - [ 0.0000353500000000, -0.0006816500000000, -0.0000217000000000 ] - [ 0.0006934800000000, -0.0003178400000000, -0.0003266800000000 ] - [ -0.0006503100000000, -0.0003598600000000, 0.0002793400000000 ] - [ 0.0002340700000000, -0.0005688900000000, 0.0001062700000000 ] - [ -0.0000003700000000, 0.0003894300000000, 0.0000854300000000 ] - [ -0.0002325700000000, 0.0006186600000000, 0.0002142400000000 ] - [ -0.0005968500000000, -0.0007118700000000, -0.0008961600000000 ] - [ 0.0515956800000000, -0.0096726100000000, -0.0145487800000000 ] - [ 0.0002261900000000, -0.0000812800000000, 0.0005707200000000 ] - [ 0.0007461600000000, 0.0007938000000000, -0.0004392600000000 ] - [ -0.0003438100000000, -0.0005863100000000, -0.0003619300000000 ] - [ -0.0006629600000000, -0.0004497400000000, -0.0004962000000000 ] - [ -0.0009422800000000, -0.0000101000000000, -0.0000090500000000 ] - [ -0.0006559400000000, 0.0002500900000000, -0.0003082300000000 ] - [ -0.0003373400000000, 0.0003557300000000, 0.0005715800000000 ] - [ 0.0003415300000000, 0.0006357200000000, -0.0004704300000000 ] - [ -0.0002448800000000, -0.0002443400000000, 0.0006535000000000 ] - [ -0.0002912100000000, -0.0005269900000000, 0.0002657700000000 ] - [ -0.0000367100000000, 0.0012053000000000, -0.0000209800000000 ] - [ 0.0001624000000000, 0.0009278800000000, 0.0000990300000000 ] - [ 0.0000840400000000, 0.0000914800000000, 0.0009074200000000 ] - [ -0.0008451800000000, 0.0006869400000000, 0.0001152200000000 ] - [ -0.0006824100000000, 0.0005793300000000, 0.0004768200000000 ] - [ 0.0009422300000000, 0.0001716300000000, 0.0001425300000000 ] - [ -0.0001627600000000, -0.0009627000000000, 0.0000982400000000 ] - [ 0.0002587400000000, -0.0004337100000000, -0.0002093100000000 ] - [ -0.0505605700000000, -0.0106540800000000, -0.0141317800000000 ] - [ -0.0011082400000000, 0.0000318700000000, -0.0000397300000000 ] - [ 0.0006991900000000, 0.0003174000000000, 0.0003256100000000 ] - [ -0.0005142500000000, -0.0004742900000000, -0.0007367200000000 ] - [ -0.0002838300000000, 0.0006774300000000, -0.0003091200000000 ] - [ -0.0003299600000000, 0.0003312100000000, -0.0005507500000000 ] - [ 0.0014126900000000, 0.0012556300000000, 0.0013195300000000 ] - [ 0.0003167000000000, 0.0007709600000000, 0.0003664200000000 ] - [ -0.0007538000000000, 0.0007935900000000, 0.0014386400000000 ] - [ 0.0023943500000000, 0.0016112100000000, -0.0015612100000000 ] - [ -0.0001479400000000, -0.0000031500000000, -0.0000216100000000 ] - [ -0.0000839900000000, 0.0000914500000000, -0.0009773600000000 ] - [ -0.0006525700000000, -0.0022808200000000, -0.0007515600000000 ] - [ 0.0005065700000000, -0.0002602400000000, -0.0002515100000000 ] - [ -0.0005468900000000, -0.0003274300000000, 0.0002666600000000 ] - [ 0.0008690400000000, -0.0001571600000000, 0.0009741600000000 ] - [ -0.0000004300000000, -0.0001486900000000, -0.0002905600000000 ] - [ -0.0005439900000000, 0.0006841200000000, 0.0005124200000000 ] - [ 0.0003511200000000, 0.0004970300000000, -0.0006350400000000 ] - [ 0.0006050500000000, 0.0004196900000000, -0.0004252300000000 ] - [ 0.0011735100000000, -0.0012911100000000, 0.0002981200000000 ] - [ -0.0000300200000000, 0.0000101400000000, -0.0011711800000000 ]- atom: 99 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004047100000000, 0.0001000600000000, -0.0002398800000000 ] - [ 0.0001501400000000, 0.0001084800000000, 0.0001084800000000 ] - [ 0.0000276100000000, -0.0001195200000000, 0.0001195200000000 ] - [ -0.0000981700000000, -0.0002052700000000, -0.0002052700000000 ] - [ 0.0000276100000000, 0.0001195200000000, -0.0001195200000000 ] - [ 0.0004047100000000, -0.0002398800000000, 0.0001000600000000 ] - [ -0.0000981700000000, 0.0002052700000000, 0.0002052700000000 ] - [ 0.0021393300000000, 0.0009075100000000, 0.0009075100000000 ] - [ 0.0004047100000000, 0.0002398800000000, -0.0001000600000000 ] - [ 0.0021393300000000, -0.0009075100000000, -0.0009075100000000 ] - [ -0.0010320600000000, 0.0004690000000000, -0.0004690000000000 ] - [ -0.0048231300000000, 0.0019043900000000, 0.0019043900000000 ] - [ -0.0010320600000000, -0.0004690000000000, 0.0004690000000000 ] - [ 0.0004047100000000, -0.0001000600000000, 0.0002398800000000 ] - [ -0.0048231300000000, -0.0019043900000000, -0.0019043900000000 ] - [ 0.0001501400000000, -0.0001084800000000, -0.0001084800000000 ] - [ -0.0002942300000000, -0.0001310500000000, 0.0001310500000000 ] - [ -0.0003021500000000, -0.0000753200000000, -0.0000404300000000 ] - [ 0.0003764500000000, 0.0000565100000000, 0.0002606600000000 ] - [ -0.0002773900000000, 0.0001502500000000, -0.0001784000000000 ] - [ 0.0003764500000000, -0.0000565100000000, -0.0002606600000000 ] - [ -0.0006426100000000, 0.0004301000000000, -0.0004301000000000 ] - [ -0.0002773900000000, -0.0001502500000000, 0.0001784000000000 ] - [ -0.0003021500000000, 0.0000404300000000, 0.0000753200000000 ] - [ -0.0006426100000000, -0.0004301000000000, 0.0004301000000000 ] - [ -0.0003021500000000, -0.0000404300000000, -0.0000753200000000 ] - [ 0.0003764500000000, -0.0002606600000000, -0.0000565100000000 ] - [ -0.0002773900000000, -0.0001784000000000, 0.0001502500000000 ] - [ 0.0003764500000000, 0.0002606600000000, 0.0000565100000000 ] - [ -0.0002942300000000, 0.0001310500000000, -0.0001310500000000 ] - [ -0.0002773900000000, 0.0001784000000000, -0.0001502500000000 ] - [ -0.0003021500000000, 0.0000753200000000, 0.0000404300000000 ] - [ -0.0007404900000000, -0.0000442600000000, -0.0004176800000000 ] - [ -0.0017379600000000, -0.0003234700000000, -0.0003234700000000 ] - [ 0.0062473200000000, -0.0070944800000000, 0.0070944800000000 ] - [ -0.0017379600000000, 0.0003234700000000, 0.0003234700000000 ] - [ -0.0007404900000000, 0.0004176800000000, 0.0000442600000000 ] - [ -0.0003421600000000, 0.0001221600000000, 0.0001221600000000 ] - [ 0.0005525400000000, 0.0004788500000000, -0.0004788500000000 ] - [ -0.0003421600000000, -0.0001221600000000, -0.0001221600000000 ] - [ 0.0062473200000000, 0.0070944800000000, -0.0070944800000000 ] - [ 0.0005948000000000, 0.0002145100000000, -0.0004226100000000 ] - [ -0.0007404900000000, 0.0000442600000000, 0.0004176800000000 ] - [ 0.0005948000000000, -0.0002145100000000, 0.0004226100000000 ] - [ 0.0005525400000000, -0.0004788500000000, 0.0004788500000000 ] - [ 0.0005948000000000, -0.0004226100000000, 0.0002145100000000 ] - [ -0.0007404900000000, -0.0004176800000000, -0.0000442600000000 ] - [ 0.0005948000000000, 0.0004226100000000, -0.0002145100000000 ] - [ -0.0001403300000000, -0.0005320300000000, -0.0026409400000000 ] - [ -0.0001375300000000, -0.0001621200000000, -0.0000402200000000 ] - [ -0.0004279900000000, -0.0001516900000000, 0.0004472800000000 ] - [ -0.0001375300000000, -0.0000402200000000, -0.0001621200000000 ] - [ -0.0004279900000000, 0.0004472800000000, -0.0001516900000000 ] - [ -0.0014396600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006781900000000, 0.0000263600000000, 0.0000263600000000 ] - [ -0.0001403300000000, 0.0005320300000000, 0.0026409400000000 ] - [ -0.0001403300000000, 0.0026409400000000, 0.0005320300000000 ] - [ -0.0000388400000000, 0.0005057400000000, 0.0005057400000000 ] - [ 0.3187983200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001403300000000, -0.0026409400000000, -0.0005320300000000 ] - [ -0.0000850700000000, -0.0000852000000000, 0.0000464400000000 ] - [ -0.0004279900000000, -0.0004472800000000, 0.0001516900000000 ] - [ -0.0001375300000000, 0.0000402200000000, 0.0001621200000000 ] - [ -0.0004279900000000, 0.0001516900000000, -0.0004472800000000 ] - [ -0.0001375300000000, 0.0001621200000000, 0.0000402200000000 ] - [ -0.0002882800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006781900000000, -0.0000263600000000, -0.0000263600000000 ] - [ -0.0000850700000000, 0.0000852000000000, -0.0000464400000000 ] - [ -0.0000850700000000, -0.0000464400000000, 0.0000852000000000 ] - [ -0.0000388400000000, -0.0005057400000000, -0.0005057400000000 ] - [ 0.0004527900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000850700000000, 0.0000464400000000, -0.0000852000000000 ] - [ -0.0001672600000000, -0.0003805500000000, -0.0012191600000000 ] - [ 0.0007543200000000, -0.0001822000000000, -0.0003014400000000 ] - [ 0.0007543200000000, 0.0003014400000000, 0.0001822000000000 ] - [ 0.0001556300000000, 0.0001517400000000, 0.0001841000000000 ] - [ 0.0001556300000000, -0.0001841000000000, -0.0001517400000000 ] - [ 0.0003842400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0019438700000000, 0.0004141800000000, -0.0004141800000000 ] - [ -0.0001672600000000, 0.0003805500000000, 0.0012191600000000 ] - [ 0.0000259500000000, -0.0000472700000000, -0.0000267800000000 ] - [ -0.0000961900000000, -0.0000153900000000, 0.0000153900000000 ] - [ -0.0004514500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000259500000000, 0.0000472700000000, 0.0000267800000000 ] - [ 0.0000259500000000, 0.0000267800000000, 0.0000472700000000 ] - [ 0.0001556300000000, 0.0001841000000000, 0.0001517400000000 ] - [ 0.0001556300000000, -0.0001517400000000, -0.0001841000000000 ] - [ 0.0007543200000000, -0.0003014400000000, -0.0001822000000000 ] - [ 0.0007543200000000, 0.0001822000000000, 0.0003014400000000 ] - [ 0.0003842400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0019438700000000, -0.0004141800000000, 0.0004141800000000 ] - [ 0.0000259500000000, -0.0000267800000000, -0.0000472700000000 ] - [ -0.0001672600000000, 0.0012191600000000, 0.0003805500000000 ] - [ -0.0000961900000000, 0.0000153900000000, -0.0000153900000000 ] - [ -0.0004514500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001672600000000, -0.0012191600000000, -0.0003805500000000 ] - [ -0.0002290500000000, -0.0006098300000000, -0.0002568100000000 ] - [ -0.0004788100000000, -0.0002651600000000, -0.0002651600000000 ] - [ -0.4672009600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000123900000000, 0.0005052200000000, -0.0005052200000000 ] - [ 0.0004392500000000, -0.0006016300000000, -0.0005350200000000 ] - [ 0.0003274100000000, 0.0006280900000000, -0.0002456800000000 ] - [ -0.0015474100000000, -0.0004485100000000, 0.0009825900000000 ] - [ -0.0015474100000000, -0.0009825900000000, 0.0004485100000000 ] - [ 0.0002597600000000, 0.0010284900000000, -0.0002274800000000 ] - [ 0.0004362000000000, 0.0028859300000000, -0.0004728900000000 ] - [ 0.0004362000000000, -0.0004728900000000, 0.0028859300000000 ] - [ 0.0006668400000000, -0.0004564000000000, -0.0005900700000000 ] - [ 0.0000702300000000, 0.0001257900000000, 0.0001257900000000 ] - [ 0.0019423600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004362000000000, -0.0028859300000000, 0.0004728900000000 ] - [ 0.0006668400000000, -0.0005900700000000, -0.0004564000000000 ] - [ 0.0008388200000000, -0.0003281100000000, 0.0003302700000000 ] - [ -0.0008768100000000, -0.0001660800000000, -0.0001660800000000 ] - [ 0.0007183600000000, 0.0005787100000000, 0.0005787100000000 ] - [ -0.0002290500000000, -0.0002568100000000, -0.0006098300000000 ] - [ -0.0015474100000000, 0.0009825900000000, -0.0004485100000000 ] - [ -0.0015474100000000, 0.0004485100000000, -0.0009825900000000 ] - [ 0.0006668400000000, 0.0004564000000000, 0.0005900700000000 ] - [ 0.0006668400000000, 0.0005900700000000, 0.0004564000000000 ] - [ 0.0002597600000000, -0.0002274800000000, 0.0010284900000000 ] - [ 0.0013701100000000, -0.0000638900000000, -0.0000638900000000 ] - [ -0.0015304200000000, -0.0009604400000000, -0.0009604400000000 ] - [ 0.0004362000000000, 0.0004728900000000, -0.0028859300000000 ] - [ 0.0001148700000000, -0.0008853400000000, 0.0001073500000000 ] - [ 0.0007183600000000, -0.0005787100000000, -0.0005787100000000 ] - [ 0.0000123900000000, -0.0005052200000000, 0.0005052200000000 ] - [ 0.0006236300000000, -0.0000512900000000, 0.0001072500000000 ] - [ 0.0001249700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004392500000000, -0.0005350200000000, -0.0006016300000000 ] - [ 0.0006236300000000, 0.0001072500000000, -0.0000512900000000 ] - [ 0.0008388200000000, 0.0003302700000000, -0.0003281100000000 ] - [ 0.0003274100000000, -0.0002456800000000, 0.0006280900000000 ] - [ 0.0001148700000000, 0.0001073500000000, -0.0008853400000000 ] - [ 0.0004392500000000, 0.0005350200000000, 0.0006016300000000 ] - [ 0.0000702300000000, -0.0001257900000000, -0.0001257900000000 ] - [ -0.0012487300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002509000000000, -0.0002839900000000, 0.0002839900000000 ] - [ -0.0002290500000000, 0.0002568100000000, 0.0006098300000000 ] - [ 0.0006236300000000, 0.0000512900000000, -0.0001072500000000 ] - [ -0.0004380500000000, -0.0003612500000000, 0.0005545600000000 ] - [ -0.0004380500000000, -0.0005545600000000, 0.0003612500000000 ] - [ 0.0001148700000000, 0.0008853400000000, -0.0001073500000000 ] - [ 0.0000274600000000, 0.0008832700000000, 0.0000341400000000 ] - [ 0.0000274600000000, 0.0000341400000000, 0.0008832700000000 ] - [ 0.0004369500000000, -0.0003598400000000, -0.0006558200000000 ] - [ -0.0004788100000000, 0.0002651600000000, 0.0002651600000000 ] - [ 0.0011214700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000274600000000, -0.0008832700000000, -0.0000341400000000 ] - [ 0.0004369500000000, -0.0006558200000000, -0.0003598400000000 ] - [ 0.0008388200000000, -0.0003302700000000, 0.0003281100000000 ] - [ -0.0008768100000000, 0.0001660800000000, 0.0001660800000000 ] - [ 0.0004462300000000, -0.0000094300000000, -0.0000094300000000 ] - [ 0.0004392500000000, 0.0006016300000000, 0.0005350200000000 ] - [ -0.0004380500000000, 0.0005545600000000, -0.0003612500000000 ] - [ -0.0004380500000000, 0.0003612500000000, -0.0005545600000000 ] - [ 0.0004369500000000, 0.0003598400000000, 0.0006558200000000 ] - [ 0.0004369500000000, 0.0006558200000000, 0.0003598400000000 ] - [ 0.0001148700000000, -0.0001073500000000, 0.0008853400000000 ] - [ 0.0013701100000000, 0.0000638900000000, 0.0000638900000000 ] - [ -0.0015304200000000, 0.0009604400000000, 0.0009604400000000 ] - [ 0.0000274600000000, -0.0000341400000000, -0.0008832700000000 ] - [ 0.0002597600000000, -0.0010284900000000, 0.0002274800000000 ] - [ 0.0004462300000000, 0.0000094300000000, 0.0000094300000000 ] - [ 0.0002509000000000, 0.0002839900000000, -0.0002839900000000 ] - [ 0.0003274100000000, -0.0006280900000000, 0.0002456800000000 ] - [ 0.0020205800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002290500000000, 0.0006098300000000, 0.0002568100000000 ] - [ 0.0003274100000000, 0.0002456800000000, -0.0006280900000000 ] - [ 0.0008388200000000, 0.0003281100000000, -0.0003302700000000 ] - [ 0.0006236300000000, -0.0001072500000000, 0.0000512900000000 ] - [ 0.0002597600000000, 0.0002274800000000, -0.0010284900000000 ] - [ 0.0001559700000000, -0.0000163100000000, -0.0001210100000000 ] - [ -0.0007943300000000, -0.0003162200000000, -0.0003327500000000 ] - [ -0.0005894500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002745100000000, 0.0000160700000000, -0.0004269500000000 ] - [ 0.0001559700000000, 0.0001210100000000, 0.0000163100000000 ] - [ 0.0001958900000000, -0.0003961900000000, -0.0004314500000000 ] - [ -0.0001380900000000, -0.0002205700000000, 0.0006376300000000 ] - [ 0.0000950100000000, -0.0004483200000000, 0.0000959900000000 ] - [ -0.0013289300000000, 0.0010505500000000, 0.0004969500000000 ] - [ 0.0000005600000000, 0.0008839000000000, -0.0000079300000000 ] - [ -0.0000195800000000, 0.0001641500000000, 0.0018600500000000 ] - [ 0.0001048200000000, -0.0001757200000000, -0.0005433300000000 ] - [ -0.0007943300000000, 0.0003327500000000, 0.0003162200000000 ] - [ 0.0006359400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000005600000000, -0.0008839000000000, 0.0000079300000000 ] - [ -0.0005958800000000, -0.0000767600000000, 0.0004229100000000 ] - [ 0.0003892900000000, -0.0002561300000000, 0.0002561300000000 ] - [ -0.0008765300000000, 0.0000635200000000, -0.0000635200000000 ] - [ 0.0006102600000000, 0.0002501300000000, 0.0003584900000000 ] - [ -0.0003232200000000, -0.0002978700000000, -0.0006451000000000 ] - [ 0.0000950100000000, 0.0004483200000000, -0.0000959900000000 ] - [ -0.0001380900000000, 0.0002205700000000, -0.0006376300000000 ] - [ 0.0001048200000000, 0.0001757200000000, 0.0005433300000000 ] - [ -0.0005958800000000, 0.0000767600000000, -0.0004229100000000 ] - [ -0.0001329700000000, 0.0001151100000000, 0.0010279300000000 ] - [ 0.0023110400000000, -0.0014361100000000, 0.0014361100000000 ] - [ 0.0006418400000000, -0.0002453300000000, 0.0002453300000000 ] - [ -0.0000195800000000, -0.0001641500000000, -0.0018600500000000 ] - [ -0.0001329700000000, -0.0010279300000000, -0.0001151100000000 ] - [ 0.0006102600000000, -0.0002501300000000, -0.0003584900000000 ] - [ -0.0002745100000000, -0.0000160700000000, 0.0004269500000000 ] - [ 0.0002875500000000, -0.0006542100000000, 0.0003935200000000 ] - [ -0.0001569500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003232200000000, 0.0006451000000000, 0.0002978700000000 ] - [ 0.0001958900000000, 0.0004314500000000, 0.0003961900000000 ] - [ 0.0735331600000000, 0.0365561100000000, -0.0365561100000000 ] - [ 0.0002875500000000, -0.0003935200000000, 0.0006542100000000 ] - [ -0.0013289300000000, -0.0004969500000000, -0.0010505500000000 ] - [ -0.0003232200000000, -0.0006451000000000, -0.0002978700000000 ] - [ -0.0007943300000000, -0.0003327500000000, -0.0003162200000000 ] - [ -0.0005894500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002745100000000, 0.0004269500000000, -0.0000160700000000 ] - [ -0.0003232200000000, 0.0002978700000000, 0.0006451000000000 ] - [ 0.0002875500000000, 0.0006542100000000, -0.0003935200000000 ] - [ 0.0000950100000000, -0.0000959900000000, 0.0004483200000000 ] - [ -0.0001380900000000, -0.0006376300000000, 0.0002205700000000 ] - [ -0.0001329700000000, 0.0010279300000000, 0.0001151100000000 ] - [ -0.0000195800000000, 0.0018600500000000, 0.0001641500000000 ] - [ 0.0000005600000000, -0.0000079300000000, 0.0008839000000000 ] - [ -0.0005958800000000, 0.0004229100000000, -0.0000767600000000 ] - [ -0.0007943300000000, 0.0003162200000000, 0.0003327500000000 ] - [ 0.0006359400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000195800000000, -0.0018600500000000, -0.0001641500000000 ] - [ 0.0001048200000000, -0.0005433300000000, -0.0001757200000000 ] - [ 0.0735331600000000, -0.0365561100000000, 0.0365561100000000 ] - [ -0.0008765300000000, -0.0000635200000000, 0.0000635200000000 ] - [ 0.0006102600000000, 0.0003584900000000, 0.0002501300000000 ] - [ 0.0001559700000000, -0.0001210100000000, -0.0000163100000000 ] - [ -0.0001380900000000, 0.0006376300000000, -0.0002205700000000 ] - [ 0.0000950100000000, 0.0000959900000000, -0.0004483200000000 ] - [ -0.0005958800000000, -0.0004229100000000, 0.0000767600000000 ] - [ 0.0001048200000000, 0.0005433300000000, 0.0001757200000000 ] - [ -0.0013289300000000, 0.0004969500000000, 0.0010505500000000 ] - [ 0.0023110400000000, 0.0014361100000000, -0.0014361100000000 ] - [ 0.0006418400000000, 0.0002453300000000, -0.0002453300000000 ] - [ 0.0000005600000000, 0.0000079300000000, -0.0008839000000000 ] - [ -0.0013289300000000, -0.0010505500000000, -0.0004969500000000 ] - [ 0.0006102600000000, -0.0003584900000000, -0.0002501300000000 ] - [ -0.0002745100000000, -0.0004269500000000, 0.0000160700000000 ] - [ 0.0001958900000000, 0.0003961900000000, 0.0004314500000000 ] - [ -0.0001569500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001559700000000, 0.0000163100000000, 0.0001210100000000 ] - [ 0.0002875500000000, 0.0003935200000000, -0.0006542100000000 ] - [ 0.0003892900000000, 0.0002561300000000, -0.0002561300000000 ] - [ 0.0001958900000000, -0.0004314500000000, -0.0003961900000000 ] - [ -0.0001329700000000, -0.0001151100000000, -0.0010279300000000 ]- atom: 99 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006615000000000, -0.0003539200000000, 0.0004965600000000 ] - [ 0.0001016700000000, -0.0003629500000000, -0.0003629500000000 ] - [ 0.0002248600000000, -0.0001322600000000, 0.0001322600000000 ] - [ -0.0001541600000000, -0.0000457600000000, -0.0000457600000000 ] - [ 0.0002248600000000, 0.0001322600000000, -0.0001322600000000 ] - [ -0.0006615000000000, 0.0004965600000000, -0.0003539200000000 ] - [ -0.0001541600000000, 0.0000457600000000, 0.0000457600000000 ] - [ -0.0019095500000000, -0.0006583900000000, -0.0006583900000000 ] - [ -0.0006615000000000, -0.0004965600000000, 0.0003539200000000 ] - [ -0.0019095500000000, 0.0006583900000000, 0.0006583900000000 ] - [ 0.0012955200000000, -0.0007259200000000, 0.0007259200000000 ] - [ 0.0046350000000000, -0.0021919200000000, -0.0021919200000000 ] - [ 0.0012955200000000, 0.0007259200000000, -0.0007259200000000 ] - [ -0.0006615000000000, 0.0003539200000000, -0.0004965600000000 ] - [ 0.0046350000000000, 0.0021919200000000, 0.0021919200000000 ] - [ 0.0001016700000000, 0.0003629500000000, 0.0003629500000000 ] - [ 0.0000440300000000, -0.0001208400000000, 0.0001208400000000 ] - [ 0.0005592100000000, -0.0001766000000000, -0.0002115400000000 ] - [ -0.0001268700000000, -0.0003089000000000, -0.0000103300000000 ] - [ 0.0000271400000000, -0.0004036800000000, -0.0000729700000000 ] - [ -0.0001268700000000, 0.0003089000000000, 0.0000103300000000 ] - [ 0.0003957400000000, -0.0001815200000000, 0.0001815200000000 ] - [ 0.0000271400000000, 0.0004036800000000, 0.0000729700000000 ] - [ 0.0005592100000000, 0.0002115400000000, 0.0001766000000000 ] - [ 0.0003957400000000, 0.0001815200000000, -0.0001815200000000 ] - [ 0.0005592100000000, -0.0002115400000000, -0.0001766000000000 ] - [ -0.0001268700000000, 0.0000103300000000, 0.0003089000000000 ] - [ 0.0000271400000000, -0.0000729700000000, -0.0004036800000000 ] - [ -0.0001268700000000, -0.0000103300000000, -0.0003089000000000 ] - [ 0.0000440300000000, 0.0001208400000000, -0.0001208400000000 ] - [ 0.0000271400000000, 0.0000729700000000, 0.0004036800000000 ] - [ 0.0005592100000000, 0.0001766000000000, 0.0002115400000000 ] - [ 0.0007469700000000, 0.0000449900000000, 0.0004228700000000 ] - [ 0.0017507200000000, 0.0003254100000000, 0.0003254100000000 ] - [ -0.0062304900000000, 0.0071927300000000, -0.0071927300000000 ] - [ 0.0017507200000000, -0.0003254100000000, -0.0003254100000000 ] - [ 0.0007469700000000, -0.0004228700000000, -0.0000449900000000 ] - [ 0.0003457200000000, -0.0001223400000000, -0.0001223400000000 ] - [ -0.0005596100000000, -0.0004841400000000, 0.0004841400000000 ] - [ 0.0003457200000000, 0.0001223400000000, 0.0001223400000000 ] - [ -0.0062304900000000, -0.0071927300000000, 0.0071927300000000 ] - [ -0.0006014900000000, -0.0002148400000000, 0.0004273700000000 ] - [ 0.0007469700000000, -0.0000449900000000, -0.0004228700000000 ] - [ -0.0006014900000000, 0.0002148400000000, -0.0004273700000000 ] - [ -0.0005596100000000, 0.0004841400000000, -0.0004841400000000 ] - [ -0.0006014900000000, 0.0004273700000000, -0.0002148400000000 ] - [ 0.0007469700000000, 0.0004228700000000, 0.0000449900000000 ] - [ -0.0006014900000000, -0.0004273700000000, 0.0002148400000000 ] - [ 0.0001514200000000, 0.0005419300000000, 0.0025801500000000 ] - [ 0.0001386400000000, 0.0001635900000000, 0.0001106900000000 ] - [ 0.0004312900000000, 0.0000826400000000, -0.0004509100000000 ] - [ 0.0001386400000000, 0.0001106900000000, 0.0001635900000000 ] - [ 0.0004312900000000, -0.0004509100000000, 0.0000826400000000 ] - [ 0.0013821900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006145900000000, -0.0000267800000000, -0.0000267800000000 ] - [ 0.0001514200000000, -0.0005419300000000, -0.0025801500000000 ] - [ 0.0001514200000000, -0.0025801500000000, -0.0005419300000000 ] - [ 0.0001095100000000, -0.0005094500000000, -0.0005094500000000 ] - [ -0.3538928600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001514200000000, 0.0025801500000000, 0.0005419300000000 ] - [ 0.0000867000000000, 0.0000871400000000, -0.0001167900000000 ] - [ 0.0004312900000000, 0.0004509100000000, -0.0000826400000000 ] - [ 0.0001386400000000, -0.0001106900000000, -0.0001635900000000 ] - [ 0.0004312900000000, -0.0000826400000000, 0.0004509100000000 ] - [ 0.0001386400000000, -0.0001635900000000, -0.0001106900000000 ] - [ 0.0002209600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006145900000000, 0.0000267800000000, 0.0000267800000000 ] - [ 0.0000867000000000, -0.0000871400000000, 0.0001167900000000 ] - [ 0.0000867000000000, 0.0001167900000000, -0.0000871400000000 ] - [ 0.0001095100000000, 0.0005094500000000, 0.0005094500000000 ] - [ -0.0003876900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000867000000000, -0.0001167900000000, 0.0000871400000000 ] - [ 0.0001717200000000, 0.0003876200000000, 0.0011612900000000 ] - [ -0.0007706200000000, 0.0001786300000000, 0.0003832200000000 ] - [ -0.0007706200000000, -0.0003832200000000, -0.0001786300000000 ] - [ -0.0001571100000000, -0.0000838800000000, -0.0001860300000000 ] - [ -0.0001571100000000, 0.0001860300000000, 0.0000838800000000 ] - [ -0.0004581400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018961800000000, -0.0004199300000000, 0.0004199300000000 ] - [ 0.0001717200000000, -0.0003876200000000, -0.0011612900000000 ] - [ -0.0000263100000000, 0.0001177700000000, 0.0000271300000000 ] - [ 0.0001679000000000, 0.0000154800000000, -0.0000154800000000 ] - [ 0.0005262200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000263100000000, -0.0001177700000000, -0.0000271300000000 ] - [ -0.0000263100000000, -0.0000271300000000, -0.0001177700000000 ] - [ -0.0001571100000000, -0.0001860300000000, -0.0000838800000000 ] - [ -0.0001571100000000, 0.0000838800000000, 0.0001860300000000 ] - [ -0.0007706200000000, 0.0003832200000000, 0.0001786300000000 ] - [ -0.0007706200000000, -0.0001786300000000, -0.0003832200000000 ] - [ -0.0004581400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018961800000000, 0.0004199300000000, -0.0004199300000000 ] - [ -0.0000263100000000, 0.0000271300000000, 0.0001177700000000 ] - [ 0.0001717200000000, -0.0011612900000000, -0.0003876200000000 ] - [ 0.0001679000000000, -0.0000154800000000, 0.0000154800000000 ] - [ 0.0005262200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001717200000000, 0.0011612900000000, 0.0003876200000000 ] - [ -0.0003462800000000, -0.0005923400000000, -0.0003181100000000 ] - [ -0.0007237500000000, -0.0003080400000000, -0.0003080400000000 ] - [ 0.5042024800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0012285400000000, 0.0000671500000000, -0.0000671500000000 ] - [ -0.0010200600000000, 0.0011808300000000, 0.0017397600000000 ] - [ 0.0002479000000000, 0.0005746900000000, -0.0003303500000000 ] - [ 0.0009937900000000, -0.0001204800000000, 0.0002079100000000 ] - [ 0.0009937900000000, -0.0002079100000000, 0.0001204800000000 ] - [ -0.0002617300000000, 0.0008565700000000, 0.0002286400000000 ] - [ -0.0004315400000000, -0.0009999100000000, 0.0004706600000000 ] - [ -0.0004315400000000, 0.0004706600000000, -0.0009999100000000 ] - [ -0.0000947900000000, -0.0001178800000000, -0.0006125700000000 ] - [ -0.0012783000000000, 0.0004498100000000, 0.0004498100000000 ] - [ -0.0000647400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004315400000000, 0.0009999100000000, -0.0004706600000000 ] - [ -0.0000947900000000, -0.0006125700000000, -0.0001178800000000 ] - [ 0.0003625900000000, -0.0002478100000000, 0.0002457700000000 ] - [ -0.0010108900000000, 0.0001669300000000, 0.0001669300000000 ] - [ 0.0004842200000000, -0.0000047500000000, -0.0000047500000000 ] - [ -0.0003462800000000, -0.0003181100000000, -0.0005923400000000 ] - [ 0.0009937900000000, 0.0002079100000000, -0.0001204800000000 ] - [ 0.0009937900000000, 0.0001204800000000, -0.0002079100000000 ] - [ -0.0000947900000000, 0.0001178800000000, 0.0006125700000000 ] - [ -0.0000947900000000, 0.0006125700000000, 0.0001178800000000 ] - [ -0.0002617300000000, 0.0002286400000000, 0.0008565700000000 ] - [ 0.0005118500000000, 0.0000644900000000, 0.0000644900000000 ] - [ 0.0015469400000000, 0.0009702100000000, 0.0009702100000000 ] - [ -0.0004315400000000, -0.0004706600000000, 0.0009999100000000 ] - [ -0.0001162100000000, -0.0009993300000000, -0.0001081700000000 ] - [ 0.0004842200000000, 0.0000047500000000, 0.0000047500000000 ] - [ -0.0012285400000000, -0.0000671500000000, 0.0000671500000000 ] - [ -0.0000524300000000, -0.0011557300000000, 0.0004674300000000 ] - [ -0.0001255300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010200600000000, 0.0017397600000000, 0.0011808300000000 ] - [ -0.0000524300000000, 0.0004674300000000, -0.0011557300000000 ] - [ 0.0003625900000000, 0.0002457700000000, -0.0002478100000000 ] - [ 0.0002479000000000, -0.0003303500000000, 0.0005746900000000 ] - [ -0.0001162100000000, -0.0001081700000000, -0.0009993300000000 ] - [ -0.0010200600000000, -0.0017397600000000, -0.0011808300000000 ] - [ -0.0012783000000000, -0.0004498100000000, -0.0004498100000000 ] - [ -0.0006312900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014672000000000, 0.0008699900000000, -0.0008699900000000 ] - [ -0.0003462800000000, 0.0003181100000000, 0.0005923400000000 ] - [ -0.0000524300000000, 0.0011557300000000, -0.0004674300000000 ] - [ -0.0001354100000000, -0.0002131000000000, 0.0006488400000000 ] - [ -0.0001354100000000, -0.0006488400000000, 0.0002131000000000 ] - [ -0.0001162100000000, 0.0009993300000000, 0.0001081700000000 ] - [ -0.0000277700000000, 0.0010035500000000, -0.0000348700000000 ] - [ -0.0000277700000000, -0.0000348700000000, 0.0010035500000000 ] - [ 0.0001357900000000, -0.0002141100000000, -0.0005460900000000 ] - [ -0.0007237500000000, 0.0003080400000000, 0.0003080400000000 ] - [ 0.0007597900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000277700000000, -0.0010035500000000, 0.0000348700000000 ] - [ 0.0001357900000000, -0.0005460900000000, -0.0002141100000000 ] - [ 0.0003625900000000, -0.0002457700000000, 0.0002478100000000 ] - [ -0.0010108900000000, -0.0001669300000000, -0.0001669300000000 ] - [ 0.0007582000000000, 0.0005870000000000, 0.0005870000000000 ] - [ -0.0010200600000000, -0.0011808300000000, -0.0017397600000000 ] - [ -0.0001354100000000, 0.0006488400000000, -0.0002131000000000 ] - [ -0.0001354100000000, 0.0002131000000000, -0.0006488400000000 ] - [ 0.0001357900000000, 0.0002141100000000, 0.0005460900000000 ] - [ 0.0001357900000000, 0.0005460900000000, 0.0002141100000000 ] - [ -0.0001162100000000, 0.0001081700000000, 0.0009993300000000 ] - [ 0.0005118500000000, -0.0000644900000000, -0.0000644900000000 ] - [ 0.0015469400000000, -0.0009702100000000, -0.0009702100000000 ] - [ -0.0000277700000000, 0.0000348700000000, -0.0010035500000000 ] - [ -0.0002617300000000, -0.0008565700000000, -0.0002286400000000 ] - [ 0.0007582000000000, -0.0005870000000000, -0.0005870000000000 ] - [ -0.0014672000000000, -0.0008699900000000, 0.0008699900000000 ] - [ 0.0002479000000000, -0.0005746900000000, 0.0003303500000000 ] - [ -0.0020473000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003462800000000, 0.0005923400000000, 0.0003181100000000 ] - [ 0.0002479000000000, 0.0003303500000000, -0.0005746900000000 ] - [ 0.0003625900000000, 0.0002478100000000, -0.0002457700000000 ] - [ -0.0000524300000000, -0.0004674300000000, 0.0011557300000000 ] - [ -0.0002617300000000, -0.0002286400000000, -0.0008565700000000 ] - [ -0.0007375200000000, -0.0011943200000000, -0.0004572600000000 ] - [ -0.0004070100000000, -0.0002589000000000, -0.0002424900000000 ] - [ -0.0013023000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009318100000000, 0.0005618800000000, -0.0001472900000000 ] - [ -0.0007375200000000, 0.0004572600000000, 0.0011943200000000 ] - [ 0.0003718300000000, 0.0016053800000000, -0.0001345200000000 ] - [ -0.0004381500000000, -0.0003543700000000, 0.0005643800000000 ] - [ -0.0006733300000000, -0.0007554900000000, 0.0004799600000000 ] - [ 0.0013442700000000, 0.0008409600000000, -0.0005031500000000 ] - [ -0.0000004000000000, 0.0010037900000000, 0.0000080000000000 ] - [ 0.0000191300000000, -0.0001666300000000, 0.0000161200000000 ] - [ 0.0004721600000000, -0.0004005600000000, -0.0006603000000000 ] - [ -0.0004070100000000, 0.0002424900000000, 0.0002589000000000 ] - [ 0.0012535200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000004000000000, -0.0010037900000000, -0.0000080000000000 ] - [ 0.0011826900000000, -0.0011308900000000, -0.0010088900000000 ] - [ 0.0008142400000000, -0.0003173600000000, 0.0003173600000000 ] - [ -0.0010107400000000, -0.0000644500000000, 0.0000644500000000 ] - [ 0.0005938000000000, 0.0003267000000000, 0.0002170700000000 ] - [ -0.0002511100000000, -0.0002770300000000, -0.0005571400000000 ] - [ -0.0006733300000000, 0.0007554900000000, -0.0004799600000000 ] - [ -0.0004381500000000, 0.0003543700000000, -0.0005643800000000 ] - [ 0.0004721600000000, 0.0004005600000000, 0.0006603000000000 ] - [ 0.0011826900000000, 0.0011308900000000, 0.0010088900000000 ] - [ 0.0001345300000000, -0.0001162200000000, 0.0008556100000000 ] - [ -0.0004388900000000, 0.0014536300000000, -0.0014536300000000 ] - [ -0.0006484300000000, 0.0002479200000000, -0.0002479200000000 ] - [ 0.0000191300000000, 0.0001666300000000, -0.0000161200000000 ] - [ 0.0001345300000000, -0.0008556100000000, 0.0001162200000000 ] - [ 0.0005938000000000, -0.0003267000000000, -0.0002170700000000 ] - [ -0.0009318100000000, -0.0005618800000000, 0.0001472900000000 ] - [ 0.0002869000000000, -0.0005476700000000, 0.0001796800000000 ] - [ 0.0001587700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002511100000000, 0.0005571400000000, 0.0002770300000000 ] - [ 0.0003718300000000, 0.0001345200000000, -0.0016053800000000 ] - [ -0.0743004200000000, -0.0368501000000000, 0.0368501000000000 ] - [ 0.0002869000000000, -0.0001796800000000, 0.0005476700000000 ] - [ 0.0013442700000000, 0.0005031500000000, -0.0008409600000000 ] - [ -0.0002511100000000, -0.0005571400000000, -0.0002770300000000 ] - [ -0.0004070100000000, -0.0002424900000000, -0.0002589000000000 ] - [ -0.0013023000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009318100000000, 0.0001472900000000, -0.0005618800000000 ] - [ -0.0002511100000000, 0.0002770300000000, 0.0005571400000000 ] - [ 0.0002869000000000, 0.0005476700000000, -0.0001796800000000 ] - [ -0.0006733300000000, -0.0004799600000000, 0.0007554900000000 ] - [ -0.0004381500000000, -0.0005643800000000, 0.0003543700000000 ] - [ 0.0001345300000000, 0.0008556100000000, -0.0001162200000000 ] - [ 0.0000191300000000, 0.0000161200000000, -0.0001666300000000 ] - [ -0.0000004000000000, 0.0000080000000000, 0.0010037900000000 ] - [ 0.0011826900000000, -0.0010088900000000, -0.0011308900000000 ] - [ -0.0004070100000000, 0.0002589000000000, 0.0002424900000000 ] - [ 0.0012535200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000191300000000, -0.0000161200000000, 0.0001666300000000 ] - [ 0.0004721600000000, -0.0006603000000000, -0.0004005600000000 ] - [ -0.0743004200000000, 0.0368501000000000, -0.0368501000000000 ] - [ -0.0010107400000000, 0.0000644500000000, -0.0000644500000000 ] - [ 0.0005938000000000, 0.0002170700000000, 0.0003267000000000 ] - [ -0.0007375200000000, -0.0004572600000000, -0.0011943200000000 ] - [ -0.0004381500000000, 0.0005643800000000, -0.0003543700000000 ] - [ -0.0006733300000000, 0.0004799600000000, -0.0007554900000000 ] - [ 0.0011826900000000, 0.0010088900000000, 0.0011308900000000 ] - [ 0.0004721600000000, 0.0006603000000000, 0.0004005600000000 ] - [ 0.0013442700000000, -0.0005031500000000, 0.0008409600000000 ] - [ -0.0004388900000000, -0.0014536300000000, 0.0014536300000000 ] - [ -0.0006484300000000, -0.0002479200000000, 0.0002479200000000 ] - [ -0.0000004000000000, -0.0000080000000000, -0.0010037900000000 ] - [ 0.0013442700000000, -0.0008409600000000, 0.0005031500000000 ] - [ 0.0005938000000000, -0.0002170700000000, -0.0003267000000000 ] - [ -0.0009318100000000, -0.0001472900000000, 0.0005618800000000 ] - [ 0.0003718300000000, -0.0016053800000000, 0.0001345200000000 ] - [ 0.0001587700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007375200000000, 0.0011943200000000, 0.0004572600000000 ] - [ 0.0002869000000000, 0.0001796800000000, -0.0005476700000000 ] - [ 0.0008142400000000, 0.0003173600000000, -0.0003173600000000 ] - [ 0.0003718300000000, -0.0001345200000000, 0.0016053800000000 ] - [ 0.0001345300000000, 0.0001162200000000, -0.0008556100000000 ]- atom: 123 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0383010500000000, 0.0312769800000000, -0.0312769800000000 ] - [ 0.0379216600000000, -0.0306373100000000, -0.0306373100000000 ] - [ -0.0007706800000000, 0.0006810100000000, -0.0003760100000000 ] - [ 0.0004496900000000, 0.0007155700000000, 0.0007155700000000 ] - [ -0.0007706800000000, -0.0003760100000000, 0.0006810100000000 ] - [ 0.0383010500000000, -0.0312769800000000, 0.0312769800000000 ] - [ -0.0056111300000000, 0.0020940600000000, 0.0020940600000000 ] - [ 0.0379216600000000, 0.0306373100000000, 0.0306373100000000 ] - [ 0.0002748800000000, 0.0001998300000000, -0.0001998300000000 ] - [ 0.0005280500000000, -0.0004531600000000, -0.0004531600000000 ] - [ -0.0007706800000000, 0.0003760100000000, -0.0006810100000000 ] - [ -0.0056111300000000, -0.0020940600000000, -0.0020940600000000 ] - [ -0.0007706800000000, -0.0006810100000000, 0.0003760100000000 ] - [ 0.0002748800000000, -0.0001998300000000, 0.0001998300000000 ] - [ 0.0004496900000000, -0.0007155700000000, -0.0007155700000000 ] - [ 0.0005280500000000, 0.0004531600000000, 0.0004531600000000 ] - [ -0.0006358800000000, -0.0004017300000000, 0.0004496000000000 ] - [ -0.0003824000000000, 0.0001482300000000, 0.0001963000000000 ] - [ 0.0007029100000000, -0.0009701200000000, 0.0009701200000000 ] - [ -0.0010239300000000, -0.0009344900000000, -0.0006313200000000 ] - [ -0.0053939600000000, -0.0017835700000000, 0.0017835700000000 ] - [ -0.0006358800000000, 0.0004017300000000, -0.0004496000000000 ] - [ -0.0010239300000000, 0.0006313200000000, 0.0009344900000000 ] - [ -0.0003824000000000, -0.0001482300000000, -0.0001963000000000 ] - [ -0.0006358800000000, -0.0004496000000000, 0.0004017300000000 ] - [ -0.0003824000000000, 0.0001963000000000, 0.0001482300000000 ] - [ -0.0053939600000000, 0.0017835700000000, -0.0017835700000000 ] - [ -0.0010239300000000, -0.0006313200000000, -0.0009344900000000 ] - [ 0.0007029100000000, 0.0009701200000000, -0.0009701200000000 ] - [ -0.0006358800000000, 0.0004496000000000, -0.0004017300000000 ] - [ -0.0010239300000000, 0.0009344900000000, 0.0006313200000000 ] - [ -0.0003824000000000, -0.0001963000000000, -0.0001482300000000 ] - [ -0.0004475600000000, 0.0000801800000000, -0.0000801800000000 ] - [ -0.0020077600000000, 0.0009275900000000, 0.0009275900000000 ] - [ 0.0011341200000000, 0.0008039700000000, -0.0000551300000000 ] - [ -0.0004469000000000, -0.0000804200000000, -0.0000804200000000 ] - [ -0.0020067100000000, 0.0009239500000000, -0.0009239500000000 ] - [ -0.0004469000000000, 0.0000804200000000, 0.0000804200000000 ] - [ 0.0011341200000000, 0.0000551300000000, -0.0008039700000000 ] - [ -0.0020077600000000, -0.0009275900000000, -0.0009275900000000 ] - [ 0.0011341200000000, -0.0000551300000000, 0.0008039700000000 ] - [ 0.0011354700000000, -0.0008045400000000, -0.0000542000000000 ] - [ -0.0020067100000000, -0.0009239500000000, 0.0009239500000000 ] - [ 0.0011354700000000, 0.0000542000000000, 0.0008045400000000 ] - [ 0.0011341200000000, -0.0008039700000000, 0.0000551300000000 ] - [ 0.0011354700000000, -0.0000542000000000, -0.0008045400000000 ] - [ -0.0004475600000000, -0.0000801800000000, 0.0000801800000000 ] - [ 0.0011354700000000, 0.0008045400000000, 0.0000542000000000 ] - [ 0.0002526300000000, 0.0000842800000000, 0.0013186200000000 ] - [ -0.0001339900000000, -0.0001583800000000, 0.0000359400000000 ] - [ -0.0001339900000000, -0.0000359400000000, 0.0001583800000000 ] - [ -0.0001339900000000, 0.0000359400000000, -0.0001583800000000 ] - [ -0.0001339900000000, 0.0001583800000000, -0.0000359400000000 ] - [ -0.0009110500000000, 0.0000948500000000, 0.0000948500000000 ] - [ -0.0002256900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000298900000000, 0.0000189000000000, -0.0002899200000000 ] - [ -0.0000298900000000, -0.0002899200000000, 0.0000189000000000 ] - [ -0.0001534900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022457600000000, 0.0001370100000000, 0.0001370100000000 ] - [ 0.0002526300000000, 0.0013186200000000, 0.0000842800000000 ] - [ -0.0000298900000000, -0.0000189000000000, 0.0002899200000000 ] - [ -0.0005268400000000, -0.0005610300000000, 0.0000367200000000 ] - [ -0.0005268400000000, -0.0000367200000000, 0.0005610300000000 ] - [ -0.0005268400000000, 0.0000367200000000, -0.0005610300000000 ] - [ -0.0005268400000000, 0.0005610300000000, -0.0000367200000000 ] - [ -0.0009110500000000, -0.0000948500000000, -0.0000948500000000 ] - [ -0.0022832700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002526300000000, -0.0000842800000000, -0.0013186200000000 ] - [ 0.0002526300000000, -0.0013186200000000, -0.0000842800000000 ] - [ -0.0022240900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022457600000000, -0.0001370100000000, -0.0001370100000000 ] - [ -0.0000298900000000, 0.0002899200000000, -0.0000189000000000 ] - [ -0.0000297400000000, -0.0000188300000000, -0.0003618800000000 ] - [ -0.0000570000000000, -0.0000551400000000, 0.0000360600000000 ] - [ 0.0013259700000000, -0.0000341200000000, -0.0012902600000000 ] - [ 0.0013259700000000, 0.0000341200000000, 0.0012902600000000 ] - [ -0.0000570000000000, 0.0000551400000000, -0.0000360600000000 ] - [ 0.0021761800000000, -0.0001372900000000, 0.0001372900000000 ] - [ 0.0001842300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002547200000000, -0.0000847200000000, 0.0013947400000000 ] - [ -0.0000297400000000, 0.0003618800000000, 0.0000188300000000 ] - [ 0.0002568400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008387500000000, -0.0000945500000000, 0.0000945500000000 ] - [ 0.0002547200000000, -0.0013947400000000, 0.0000847200000000 ] - [ 0.0002547200000000, 0.0000847200000000, -0.0013947400000000 ] - [ 0.0013259700000000, 0.0012902600000000, 0.0000341200000000 ] - [ -0.0000570000000000, -0.0000360600000000, 0.0000551400000000 ] - [ -0.0000570000000000, 0.0000360600000000, -0.0000551400000000 ] - [ 0.0013259700000000, -0.0012902600000000, -0.0000341200000000 ] - [ 0.0021761800000000, 0.0001372900000000, -0.0001372900000000 ] - [ 0.0001842300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000297400000000, 0.0000188300000000, 0.0003618800000000 ] - [ 0.0002547200000000, 0.0013947400000000, -0.0000847200000000 ] - [ 0.0002568400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008387500000000, 0.0000945500000000, -0.0000945500000000 ] - [ -0.0000297400000000, -0.0003618800000000, -0.0000188300000000 ] - [ -0.0002712700000000, -0.0007996500000000, -0.0003038600000000 ] - [ -0.0001317300000000, -0.0001425200000000, -0.0001425200000000 ] - [ -0.0024801500000000, -0.0002590700000000, -0.0002590700000000 ] - [ -0.0007338500000000, 0.0002453100000000, -0.0003501100000000 ] - [ -0.0002712700000000, 0.0003038600000000, 0.0007996500000000 ] - [ 0.0003043300000000, 0.0004039400000000, -0.0002715300000000 ] - [ -0.0004250100000000, -0.0001758900000000, 0.0005536500000000 ] - [ -0.0016334400000000, -0.0012285700000000, 0.0000228400000000 ] - [ 0.0000728600000000, 0.0009415500000000, -0.0001008800000000 ] - [ -0.0002158600000000, -0.0000212500000000, 0.0000265200000000 ] - [ -0.0002158600000000, 0.0000265200000000, -0.0000212500000000 ] - [ 0.0004937200000000, -0.0002804400000000, -0.0006195500000000 ] - [ -0.0001317300000000, 0.0001425200000000, 0.0001425200000000 ] - [ 0.0015878000000000, -0.0001497900000000, -0.0001497900000000 ] - [ -0.0000036400000000, -0.0006960200000000, -0.0000204900000000 ] - [ 0.0004937200000000, -0.0006195500000000, -0.0002804400000000 ] - [ 0.0010722400000000, -0.0004331300000000, 0.0004331300000000 ] - [ -0.0008165600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0028014500000000, 0.0005664000000000, 0.0005664000000000 ] - [ -0.0002712700000000, -0.0003038600000000, -0.0007996500000000 ] - [ -0.0004250100000000, 0.0005536500000000, -0.0001758900000000 ] - [ -0.0016334400000000, 0.0000228400000000, -0.0012285700000000 ] - [ 0.0007876000000000, 0.0005361300000000, 0.0006515300000000 ] - [ 0.0007876000000000, 0.0006515300000000, 0.0005361300000000 ] - [ 0.0000728600000000, -0.0001008800000000, 0.0009415500000000 ] - [ 0.0010675800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.1401021000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000036400000000, -0.0000204900000000, -0.0006960200000000 ] - [ 0.0000728600000000, -0.0009415500000000, 0.0001008800000000 ] - [ 0.0007031800000000, -0.0003047700000000, -0.0003047700000000 ] - [ -0.0007338500000000, -0.0003501100000000, 0.0002453100000000 ] - [ 0.0003043300000000, -0.0004039400000000, 0.0002715300000000 ] - [ 0.0026806900000000, -0.0020913800000000, -0.0020913800000000 ] - [ -0.0002712700000000, 0.0007996500000000, 0.0003038600000000 ] - [ 0.0003043300000000, 0.0002715300000000, -0.0004039400000000 ] - [ 0.0010722400000000, 0.0004331300000000, -0.0004331300000000 ] - [ 0.0003043300000000, -0.0002715300000000, 0.0004039400000000 ] - [ 0.0000728600000000, 0.0001008800000000, -0.0009415500000000 ] - [ -0.0000576600000000, -0.0013466900000000, -0.0010146500000000 ] - [ -0.0001242700000000, -0.0003040100000000, -0.0003040100000000 ] - [ -0.0024801500000000, 0.0002590700000000, 0.0002590700000000 ] - [ -0.0007338500000000, 0.0003501100000000, -0.0002453100000000 ] - [ -0.0000576600000000, 0.0010146500000000, 0.0013466900000000 ] - [ 0.0005183600000000, -0.0001463900000000, 0.0004426500000000 ] - [ -0.0016334400000000, -0.0000228400000000, 0.0012285700000000 ] - [ -0.0004250100000000, -0.0005536500000000, 0.0001758900000000 ] - [ 0.0003888400000000, 0.0009415800000000, -0.0002905400000000 ] - [ -0.0000036400000000, 0.0006960200000000, 0.0000204900000000 ] - [ -0.0000036400000000, 0.0000204900000000, 0.0006960200000000 ] - [ 0.0007876000000000, -0.0005361300000000, -0.0006515300000000 ] - [ -0.0001242700000000, 0.0003040100000000, 0.0003040100000000 ] - [ 0.0015878000000000, 0.0001497900000000, 0.0001497900000000 ] - [ -0.0002158600000000, 0.0000212500000000, -0.0000265200000000 ] - [ 0.0007876000000000, -0.0006515300000000, -0.0005361300000000 ] - [ 0.0010794100000000, -0.0002718400000000, 0.0002718400000000 ] - [ 0.0011005100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007031800000000, 0.0003047700000000, 0.0003047700000000 ] - [ -0.0000576600000000, -0.0010146500000000, -0.0013466900000000 ] - [ -0.0016334400000000, 0.0012285700000000, -0.0000228400000000 ] - [ -0.0004250100000000, 0.0001758900000000, -0.0005536500000000 ] - [ 0.0004937200000000, 0.0002804400000000, 0.0006195500000000 ] - [ 0.0004937200000000, 0.0006195500000000, 0.0002804400000000 ] - [ 0.0003888400000000, -0.0002905400000000, 0.0009415800000000 ] - [ 0.0029650100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010745800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002158600000000, -0.0000265200000000, 0.0000212500000000 ] - [ 0.0003888400000000, -0.0009415800000000, 0.0002905400000000 ] - [ 0.0028014500000000, -0.0005664000000000, -0.0005664000000000 ] - [ -0.0007338500000000, -0.0002453100000000, 0.0003501100000000 ] - [ 0.0005183600000000, 0.0001463900000000, -0.0004426500000000 ] - [ 0.0026806900000000, 0.0020913800000000, 0.0020913800000000 ] - [ -0.0000576600000000, 0.0013466900000000, 0.0010146500000000 ] - [ 0.0005183600000000, -0.0004426500000000, 0.0001463900000000 ] - [ 0.0010794100000000, 0.0002718400000000, -0.0002718400000000 ] - [ 0.0005183600000000, 0.0004426500000000, -0.0001463900000000 ] - [ 0.0003888400000000, 0.0002905400000000, -0.0009415800000000 ] - [ -0.0002550400000000, -0.0004251200000000, -0.0002160000000000 ] - [ -0.0017728200000000, 0.0000223300000000, -0.0010117400000000 ] - [ -0.0002971500000000, 0.0001494600000000, -0.0001494600000000 ] - [ 0.0015741600000000, 0.0000046400000000, -0.0000046400000000 ] - [ 0.0000818700000000, 0.0006981200000000, -0.0001837400000000 ] - [ 0.0003201200000000, 0.0007783700000000, -0.0003593900000000 ] - [ -0.0000813800000000, -0.0002947200000000, 0.0005840000000000 ] - [ -0.0000813800000000, -0.0005840000000000, 0.0002947200000000 ] - [ -0.0002323400000000, 0.0009396500000000, 0.0005829100000000 ] - [ -0.0002171700000000, 0.0019074400000000, 0.0000272600000000 ] - [ -0.0000036000000000, 0.0000204900000000, 0.0011886500000000 ] - [ 0.0001509300000000, -0.0004001500000000, -0.0006505600000000 ] - [ -0.0017728200000000, -0.0000223300000000, 0.0010117400000000 ] - [ -0.0005964900000000, 0.0002594200000000, -0.0002594200000000 ] - [ -0.0000036000000000, -0.0011886500000000, -0.0000204900000000 ] - [ -0.0010574800000000, 0.0000209800000000, -0.0005493900000000 ] - [ -0.0005667900000000, -0.0005977700000000, -0.0004347100000000 ] - [ -0.0010999200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004704200000000, 0.0003306200000000, 0.0002257100000000 ] - [ 0.0000818700000000, -0.0006981200000000, 0.0001837400000000 ] - [ 0.0002131100000000, 0.0005514600000000, -0.0000387200000000 ] - [ 0.0002131100000000, 0.0000387200000000, -0.0005514600000000 ] - [ -0.0010574800000000, 0.0005493900000000, -0.0000209800000000 ] - [ 0.0001509300000000, 0.0006505600000000, 0.0004001500000000 ] - [ -0.0001487400000000, 0.0000853300000000, 0.0009422100000000 ] - [ 0.0007836700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011496900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002171700000000, -0.0000272600000000, -0.0019074400000000 ] - [ -0.0002323400000000, -0.0009396500000000, -0.0005829100000000 ] - [ 0.0004704200000000, -0.0002257100000000, -0.0003306200000000 ] - [ -0.0005007700000000, -0.0002710900000000, 0.0002710900000000 ] - [ 0.0003201200000000, -0.0007783700000000, 0.0003593900000000 ] - [ 0.0027057900000000, 0.0021013100000000, -0.0021013100000000 ] - [ -0.0002550400000000, 0.0004251200000000, 0.0002160000000000 ] - [ 0.0006555200000000, -0.0001222700000000, -0.0013862200000000 ] - [ -0.0005667900000000, 0.0005977700000000, 0.0004347100000000 ] - [ 0.0006555200000000, 0.0001222700000000, 0.0013862200000000 ] - [ -0.0001487400000000, -0.0000853300000000, -0.0009422100000000 ] - [ 0.0000818700000000, 0.0001837400000000, -0.0006981200000000 ] - [ -0.0017728200000000, -0.0010117400000000, 0.0000223300000000 ] - [ -0.0002971500000000, -0.0001494600000000, 0.0001494600000000 ] - [ -0.0005007700000000, 0.0002710900000000, -0.0002710900000000 ] - [ -0.0002550400000000, 0.0002160000000000, 0.0004251200000000 ] - [ 0.0006555200000000, 0.0013862200000000, 0.0001222700000000 ] - [ 0.0002131100000000, -0.0000387200000000, 0.0005514600000000 ] - [ 0.0002131100000000, -0.0005514600000000, 0.0000387200000000 ] - [ -0.0001487400000000, 0.0009422100000000, 0.0000853300000000 ] - [ -0.0000036000000000, 0.0011886500000000, 0.0000204900000000 ] - [ -0.0002171700000000, 0.0000272600000000, 0.0019074400000000 ] - [ -0.0010574800000000, -0.0005493900000000, 0.0000209800000000 ] - [ -0.0017728200000000, 0.0010117400000000, -0.0000223300000000 ] - [ -0.0005964900000000, -0.0002594200000000, 0.0002594200000000 ] - [ -0.0002171700000000, -0.0019074400000000, -0.0000272600000000 ] - [ 0.0001509300000000, -0.0006505600000000, -0.0004001500000000 ] - [ -0.0005667900000000, 0.0004347100000000, 0.0005977700000000 ] - [ -0.0010999200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004704200000000, 0.0002257100000000, 0.0003306200000000 ] - [ -0.0002550400000000, -0.0002160000000000, -0.0004251200000000 ] - [ -0.0000813800000000, 0.0005840000000000, -0.0002947200000000 ] - [ -0.0000813800000000, 0.0002947200000000, -0.0005840000000000 ] - [ 0.0001509300000000, 0.0004001500000000, 0.0006505600000000 ] - [ -0.0010574800000000, -0.0000209800000000, 0.0005493900000000 ] - [ -0.0002323400000000, 0.0005829100000000, 0.0009396500000000 ] - [ 0.0007836700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011496900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000036000000000, -0.0000204900000000, -0.0011886500000000 ] - [ -0.0001487400000000, -0.0009422100000000, -0.0000853300000000 ] - [ 0.0004704200000000, -0.0003306200000000, -0.0002257100000000 ] - [ 0.0015741600000000, -0.0000046400000000, 0.0000046400000000 ] - [ 0.0006555200000000, -0.0013862200000000, -0.0001222700000000 ] - [ 0.0027057900000000, -0.0021013100000000, 0.0021013100000000 ] - [ 0.0000818700000000, -0.0001837400000000, 0.0006981200000000 ] - [ 0.0003201200000000, 0.0003593900000000, -0.0007783700000000 ] - [ -0.0005667900000000, -0.0004347100000000, -0.0005977700000000 ] - [ 0.0003201200000000, -0.0003593900000000, 0.0007783700000000 ] - [ -0.0002323400000000, -0.0005829100000000, -0.0009396500000000 ]