# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cc607267-f3cd-4ef2-8e1d-fefb531a3178/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 RbSn / I4_1/acd (142) / materials id 11054](https://mdr.nims.go.jp/datasets/15c9f75a-2408-4dfb-a6c3-acf0439eb58b) ## 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: "I4_1/acd" number: 142 Hall_symbol: "I 4bw 2aw -1bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -5.809592860000000, 5.809592860000000, 9.555384190000000 ] # a - [ 5.809592860000000, -5.809592860000000, 9.555384190000000 ] # b - [ 5.809592860000000, 5.809592860000000, -9.555384190000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.125000000000000, 0.236079950000000, 0.611079950000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.986079950000000, 0.875000000000000, 0.611079950000000 ] mass: 85.467800 - symbol: Rb # 3 coordinates: [ 0.263920050000000, 0.375000000000000, 0.388920050000000 ] mass: 85.467800 - symbol: Rb # 4 coordinates: [ 0.625000000000000, 0.513920050000000, 0.388920050000000 ] mass: 85.467800 - symbol: Rb # 5 coordinates: [ 0.625000000000000, 0.013920050000000, 0.888920050000000 ] mass: 85.467800 - symbol: Rb # 6 coordinates: [ 0.763920050000000, 0.375000000000000, 0.888920050000000 ] mass: 85.467800 - symbol: Rb # 7 coordinates: [ 0.486079950000000, 0.875000000000000, 0.111079950000000 ] mass: 85.467800 - symbol: Rb # 8 coordinates: [ 0.125000000000000, 0.736079950000000, 0.111079950000000 ] mass: 85.467800 - symbol: Rb # 9 coordinates: [ 0.628802500000000, 0.628802500000000, 0.757605000000000 ] mass: 85.467800 - symbol: Rb # 10 coordinates: [ 0.378802500000000, 0.121197500000000, 0.500000000000000 ] mass: 85.467800 - symbol: Rb # 11 coordinates: [ 0.621197500000000, 0.878802500000000, 0.500000000000000 ] mass: 85.467800 - symbol: Rb # 12 coordinates: [ 0.871197500000000, 0.871197500000000, 0.242395000000000 ] mass: 85.467800 - symbol: Rb # 13 coordinates: [ 0.121197500000000, 0.621197500000000, 0.742395000000000 ] mass: 85.467800 - symbol: Rb # 14 coordinates: [ 0.371197500000000, 0.128802500000000, 0.000000000000000 ] mass: 85.467800 - symbol: Rb # 15 coordinates: [ 0.128802500000000, 0.371197500000000, 0.000000000000000 ] mass: 85.467800 - symbol: Rb # 16 coordinates: [ 0.878802500000000, 0.378802500000000, 0.257605000000000 ] mass: 85.467800 - symbol: Sn # 17 coordinates: [ 0.944434980000000, 0.117754220000000, 0.952511100000000 ] mass: 118.710000 - symbol: Sn # 18 coordinates: [ 0.867754220000000, 0.415243120000000, 0.673319240000000 ] mass: 118.710000 - symbol: Sn # 19 coordinates: [ 0.741923880000000, 0.194434980000000, 0.326680760000000 ] mass: 118.710000 - symbol: Sn # 20 coordinates: [ 0.305565020000000, 0.758076120000000, 0.673319240000000 ] mass: 118.710000 - symbol: Sn # 21 coordinates: [ 0.084756880000000, 0.632245780000000, 0.326680760000000 ] mass: 118.710000 - symbol: Sn # 22 coordinates: [ 0.508076120000000, 0.334756880000000, 0.952511100000000 ] mass: 118.710000 - symbol: Sn # 23 coordinates: [ 0.382245780000000, 0.555565020000000, 0.047488900000000 ] mass: 118.710000 - symbol: Sn # 24 coordinates: [ 0.165243120000000, 0.991923880000000, 0.047488900000000 ] mass: 118.710000 - symbol: Sn # 25 coordinates: [ 0.805565020000000, 0.132245780000000, 0.547488900000000 ] mass: 118.710000 - symbol: Sn # 26 coordinates: [ 0.882245780000000, 0.834756880000000, 0.826680760000000 ] mass: 118.710000 - symbol: Sn # 27 coordinates: [ 0.008076120000000, 0.055565020000000, 0.173319240000000 ] mass: 118.710000 - symbol: Sn # 28 coordinates: [ 0.444434980000000, 0.491923880000000, 0.826680760000000 ] mass: 118.710000 - symbol: Sn # 29 coordinates: [ 0.665243120000000, 0.617754220000000, 0.173319240000000 ] mass: 118.710000 - symbol: Sn # 30 coordinates: [ 0.241923880000000, 0.915243120000000, 0.547488900000000 ] mass: 118.710000 - symbol: Sn # 31 coordinates: [ 0.367754220000000, 0.694434980000000, 0.452511100000000 ] mass: 118.710000 - symbol: Sn # 32 coordinates: [ 0.584756880000000, 0.258076120000000, 0.452511100000000 ] mass: 118.710000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.086064550829815, 0.052326519798468 ] # a* - [ 0.086064550829815, 0.000000000000000, 0.052326519798468 ] # b* - [ 0.086064550829815, 0.086064550829815, 0.000000000000000 ] # c*unit_cell: lattice: - [ 11.619185720000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.619185720000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.110768380000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.861079950000000, 0.750000000000000, 0.375000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.250000000000000, 0.361079950000000, 0.625000000000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.750000000000000, 0.638920050000000, 0.625000000000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.138920050000000, 0.250000000000000, 0.375000000000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.638920050000000, 0.250000000000000, 0.375000000000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.750000000000000, 0.138920050000000, 0.625000000000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.250000000000000, 0.861079950000000, 0.625000000000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.361079950000000, 0.750000000000000, 0.375000000000000 ] mass: 85.467800 reduced_to: 8 - symbol: Rb # 9 coordinates: [ 0.378802500000000, 0.378802500000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 10 coordinates: [ 0.621197500000000, 0.878802500000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 10 - symbol: Rb # 11 coordinates: [ 0.378802500000000, 0.121197500000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 11 - symbol: Rb # 12 coordinates: [ 0.621197500000000, 0.621197500000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 12 - symbol: Rb # 13 coordinates: [ 0.121197500000000, 0.621197500000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.878802500000000, 0.121197500000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 14 - symbol: Rb # 15 coordinates: [ 0.121197500000000, 0.878802500000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 15 - symbol: Rb # 16 coordinates: [ 0.878802500000000, 0.378802500000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 16 - symbol: Rb # 17 coordinates: [ 0.361079950000000, 0.250000000000000, 0.875000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 18 coordinates: [ 0.750000000000000, 0.861079950000000, 0.125000000000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 19 coordinates: [ 0.250000000000000, 0.138920050000000, 0.125000000000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 20 coordinates: [ 0.638920050000000, 0.750000000000000, 0.875000000000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 21 coordinates: [ 0.138920050000000, 0.750000000000000, 0.875000000000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 22 coordinates: [ 0.250000000000000, 0.638920050000000, 0.125000000000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 23 coordinates: [ 0.750000000000000, 0.361079950000000, 0.125000000000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 24 coordinates: [ 0.861079950000000, 0.250000000000000, 0.875000000000000 ] mass: 85.467800 reduced_to: 8 - symbol: Rb # 25 coordinates: [ 0.878802500000000, 0.878802500000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 26 coordinates: [ 0.121197500000000, 0.378802500000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 10 - symbol: Rb # 27 coordinates: [ 0.878802500000000, 0.621197500000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 11 - symbol: Rb # 28 coordinates: [ 0.121197500000000, 0.121197500000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 12 - symbol: Rb # 29 coordinates: [ 0.621197500000000, 0.121197500000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 30 coordinates: [ 0.378802500000000, 0.621197500000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 14 - symbol: Rb # 31 coordinates: [ 0.621197500000000, 0.378802500000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 15 - symbol: Rb # 32 coordinates: [ 0.378802500000000, 0.878802500000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 16 - symbol: Sn # 33 coordinates: [ 0.562915170000000, 0.389595930000000, 0.554839050000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 34 coordinates: [ 0.110404070000000, 0.562915170000000, 0.304839050000000 ] mass: 118.710000 reduced_to: 34 - symbol: Sn # 35 coordinates: [ 0.889595930000000, 0.437084830000000, 0.304839050000000 ] mass: 118.710000 reduced_to: 35 - symbol: Sn # 36 coordinates: [ 0.562915170000000, 0.110404070000000, 0.195160950000000 ] mass: 118.710000 reduced_to: 36 - symbol: Sn # 37 coordinates: [ 0.437084830000000, 0.889595930000000, 0.195160950000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 38 coordinates: [ 0.889595930000000, 0.062915170000000, 0.445160950000000 ] mass: 118.710000 reduced_to: 38 - symbol: Sn # 39 coordinates: [ 0.110404070000000, 0.937084830000000, 0.445160950000000 ] mass: 118.710000 reduced_to: 39 - symbol: Sn # 40 coordinates: [ 0.437084830000000, 0.610404070000000, 0.554839050000000 ] mass: 118.710000 reduced_to: 40 - symbol: Sn # 41 coordinates: [ 0.937084830000000, 0.610404070000000, 0.195160950000000 ] mass: 118.710000 reduced_to: 41 - symbol: Sn # 42 coordinates: [ 0.389595930000000, 0.437084830000000, 0.445160950000000 ] mass: 118.710000 reduced_to: 42 - symbol: Sn # 43 coordinates: [ 0.610404070000000, 0.562915170000000, 0.445160950000000 ] mass: 118.710000 reduced_to: 43 - symbol: Sn # 44 coordinates: [ 0.937084830000000, 0.889595930000000, 0.554839050000000 ] mass: 118.710000 reduced_to: 44 - symbol: Sn # 45 coordinates: [ 0.062915170000000, 0.110404070000000, 0.554839050000000 ] mass: 118.710000 reduced_to: 45 - symbol: Sn # 46 coordinates: [ 0.610404070000000, 0.937084830000000, 0.304839050000000 ] mass: 118.710000 reduced_to: 46 - symbol: Sn # 47 coordinates: [ 0.389595930000000, 0.062915170000000, 0.304839050000000 ] mass: 118.710000 reduced_to: 47 - symbol: Sn # 48 coordinates: [ 0.062915170000000, 0.389595930000000, 0.195160950000000 ] mass: 118.710000 reduced_to: 48 - symbol: Sn # 49 coordinates: [ 0.062915170000000, 0.889595930000000, 0.054839050000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 50 coordinates: [ 0.610404070000000, 0.062915170000000, 0.804839050000000 ] mass: 118.710000 reduced_to: 34 - symbol: Sn # 51 coordinates: [ 0.389595930000000, 0.937084830000000, 0.804839050000000 ] mass: 118.710000 reduced_to: 35 - symbol: Sn # 52 coordinates: [ 0.062915170000000, 0.610404070000000, 0.695160950000000 ] mass: 118.710000 reduced_to: 36 - symbol: Sn # 53 coordinates: [ 0.937084830000000, 0.389595930000000, 0.695160950000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 54 coordinates: [ 0.389595930000000, 0.562915170000000, 0.945160950000000 ] mass: 118.710000 reduced_to: 38 - symbol: Sn # 55 coordinates: [ 0.610404070000000, 0.437084830000000, 0.945160950000000 ] mass: 118.710000 reduced_to: 39 - symbol: Sn # 56 coordinates: [ 0.937084830000000, 0.110404070000000, 0.054839050000000 ] mass: 118.710000 reduced_to: 40 - symbol: Sn # 57 coordinates: [ 0.437084830000000, 0.110404070000000, 0.695160950000000 ] mass: 118.710000 reduced_to: 41 - symbol: Sn # 58 coordinates: [ 0.889595930000000, 0.937084830000000, 0.945160950000000 ] mass: 118.710000 reduced_to: 42 - symbol: Sn # 59 coordinates: [ 0.110404070000000, 0.062915170000000, 0.945160950000000 ] mass: 118.710000 reduced_to: 43 - symbol: Sn # 60 coordinates: [ 0.437084830000000, 0.389595930000000, 0.054839050000000 ] mass: 118.710000 reduced_to: 44 - symbol: Sn # 61 coordinates: [ 0.562915170000000, 0.610404070000000, 0.054839050000000 ] mass: 118.710000 reduced_to: 45 - symbol: Sn # 62 coordinates: [ 0.110404070000000, 0.437084830000000, 0.804839050000000 ] mass: 118.710000 reduced_to: 46 - symbol: Sn # 63 coordinates: [ 0.889595930000000, 0.562915170000000, 0.804839050000000 ] mass: 118.710000 reduced_to: 47 - symbol: Sn # 64 coordinates: [ 0.562915170000000, 0.889595930000000, 0.695160950000000 ] mass: 118.710000 reduced_to: 48supercell: lattice: - [ 11.619185720000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.619185720000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.110768380000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.861079950000000, 0.750000000000000, 0.375000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.250000000000000, 0.361079950000000, 0.625000000000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.750000000000000, 0.638920050000000, 0.625000000000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.138920050000000, 0.250000000000000, 0.375000000000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.638920050000000, 0.250000000000000, 0.375000000000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.750000000000000, 0.138920050000000, 0.625000000000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.250000000000000, 0.861079950000000, 0.625000000000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.361079950000000, 0.750000000000000, 0.375000000000000 ] mass: 85.467800 reduced_to: 8 - symbol: Rb # 9 coordinates: [ 0.378802500000000, 0.378802500000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 10 coordinates: [ 0.621197500000000, 0.878802500000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 10 - symbol: Rb # 11 coordinates: [ 0.378802500000000, 0.121197500000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 11 - symbol: Rb # 12 coordinates: [ 0.621197500000000, 0.621197500000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 12 - symbol: Rb # 13 coordinates: [ 0.121197500000000, 0.621197500000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.878802500000000, 0.121197500000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 14 - symbol: Rb # 15 coordinates: [ 0.121197500000000, 0.878802500000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 15 - symbol: Rb # 16 coordinates: [ 0.878802500000000, 0.378802500000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 16 - symbol: Rb # 17 coordinates: [ 0.361079950000000, 0.250000000000000, 0.875000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 18 coordinates: [ 0.750000000000000, 0.861079950000000, 0.125000000000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 19 coordinates: [ 0.250000000000000, 0.138920050000000, 0.125000000000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 20 coordinates: [ 0.638920050000000, 0.750000000000000, 0.875000000000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 21 coordinates: [ 0.138920050000000, 0.750000000000000, 0.875000000000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 22 coordinates: [ 0.250000000000000, 0.638920050000000, 0.125000000000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 23 coordinates: [ 0.750000000000000, 0.361079950000000, 0.125000000000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 24 coordinates: [ 0.861079950000000, 0.250000000000000, 0.875000000000000 ] mass: 85.467800 reduced_to: 8 - symbol: Rb # 25 coordinates: [ 0.878802500000000, 0.878802500000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 26 coordinates: [ 0.121197500000000, 0.378802500000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 10 - symbol: Rb # 27 coordinates: [ 0.878802500000000, 0.621197500000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 11 - symbol: Rb # 28 coordinates: [ 0.121197500000000, 0.121197500000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 12 - symbol: Rb # 29 coordinates: [ 0.621197500000000, 0.121197500000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 30 coordinates: [ 0.378802500000000, 0.621197500000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 14 - symbol: Rb # 31 coordinates: [ 0.621197500000000, 0.378802500000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 15 - symbol: Rb # 32 coordinates: [ 0.378802500000000, 0.878802500000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 16 - symbol: Sn # 33 coordinates: [ 0.562915170000000, 0.389595930000000, 0.554839050000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 34 coordinates: [ 0.110404070000000, 0.562915170000000, 0.304839050000000 ] mass: 118.710000 reduced_to: 34 - symbol: Sn # 35 coordinates: [ 0.889595930000000, 0.437084830000000, 0.304839050000000 ] mass: 118.710000 reduced_to: 35 - symbol: Sn # 36 coordinates: [ 0.562915170000000, 0.110404070000000, 0.195160950000000 ] mass: 118.710000 reduced_to: 36 - symbol: Sn # 37 coordinates: [ 0.437084830000000, 0.889595930000000, 0.195160950000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 38 coordinates: [ 0.889595930000000, 0.062915170000000, 0.445160950000000 ] mass: 118.710000 reduced_to: 38 - symbol: Sn # 39 coordinates: [ 0.110404070000000, 0.937084830000000, 0.445160950000000 ] mass: 118.710000 reduced_to: 39 - symbol: Sn # 40 coordinates: [ 0.437084830000000, 0.610404070000000, 0.554839050000000 ] mass: 118.710000 reduced_to: 40 - symbol: Sn # 41 coordinates: [ 0.937084830000000, 0.610404070000000, 0.195160950000000 ] mass: 118.710000 reduced_to: 41 - symbol: Sn # 42 coordinates: [ 0.389595930000000, 0.437084830000000, 0.445160950000000 ] mass: 118.710000 reduced_to: 42 - symbol: Sn # 43 coordinates: [ 0.610404070000000, 0.562915170000000, 0.445160950000000 ] mass: 118.710000 reduced_to: 43 - symbol: Sn # 44 coordinates: [ 0.937084830000000, 0.889595930000000, 0.554839050000000 ] mass: 118.710000 reduced_to: 44 - symbol: Sn # 45 coordinates: [ 0.062915170000000, 0.110404070000000, 0.554839050000000 ] mass: 118.710000 reduced_to: 45 - symbol: Sn # 46 coordinates: [ 0.610404070000000, 0.937084830000000, 0.304839050000000 ] mass: 118.710000 reduced_to: 46 - symbol: Sn # 47 coordinates: [ 0.389595930000000, 0.062915170000000, 0.304839050000000 ] mass: 118.710000 reduced_to: 47 - symbol: Sn # 48 coordinates: [ 0.062915170000000, 0.389595930000000, 0.195160950000000 ] mass: 118.710000 reduced_to: 48 - symbol: Sn # 49 coordinates: [ 0.062915170000000, 0.889595930000000, 0.054839050000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 50 coordinates: [ 0.610404070000000, 0.062915170000000, 0.804839050000000 ] mass: 118.710000 reduced_to: 34 - symbol: Sn # 51 coordinates: [ 0.389595930000000, 0.937084830000000, 0.804839050000000 ] mass: 118.710000 reduced_to: 35 - symbol: Sn # 52 coordinates: [ 0.062915170000000, 0.610404070000000, 0.695160950000000 ] mass: 118.710000 reduced_to: 36 - symbol: Sn # 53 coordinates: [ 0.937084830000000, 0.389595930000000, 0.695160950000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 54 coordinates: [ 0.389595930000000, 0.562915170000000, 0.945160950000000 ] mass: 118.710000 reduced_to: 38 - symbol: Sn # 55 coordinates: [ 0.610404070000000, 0.437084830000000, 0.945160950000000 ] mass: 118.710000 reduced_to: 39 - symbol: Sn # 56 coordinates: [ 0.937084830000000, 0.110404070000000, 0.054839050000000 ] mass: 118.710000 reduced_to: 40 - symbol: Sn # 57 coordinates: [ 0.437084830000000, 0.110404070000000, 0.695160950000000 ] mass: 118.710000 reduced_to: 41 - symbol: Sn # 58 coordinates: [ 0.889595930000000, 0.937084830000000, 0.945160950000000 ] mass: 118.710000 reduced_to: 42 - symbol: Sn # 59 coordinates: [ 0.110404070000000, 0.062915170000000, 0.945160950000000 ] mass: 118.710000 reduced_to: 43 - symbol: Sn # 60 coordinates: [ 0.437084830000000, 0.389595930000000, 0.054839050000000 ] mass: 118.710000 reduced_to: 44 - symbol: Sn # 61 coordinates: [ 0.562915170000000, 0.610404070000000, 0.054839050000000 ] mass: 118.710000 reduced_to: 45 - symbol: Sn # 62 coordinates: [ 0.110404070000000, 0.437084830000000, 0.804839050000000 ] mass: 118.710000 reduced_to: 46 - symbol: Sn # 63 coordinates: [ 0.889595930000000, 0.562915170000000, 0.804839050000000 ] mass: 118.710000 reduced_to: 47 - symbol: Sn # 64 coordinates: [ 0.562915170000000, 0.889595930000000, 0.695160950000000 ] mass: 118.710000 reduced_to: 48displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0137301400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001577300000000, -0.0001803600000000, -0.0000164200000000 ] - [ -0.0001494800000000, 0.0002315000000000, -0.0001856800000000 ] - [ 0.0003667100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000836200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001893500000000, 0.0002630200000000, 0.0000353300000000 ] - [ 0.0001349000000000, -0.0002624800000000, 0.0000688900000000 ] - [ 0.0002174500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002163900000000, 0.0000367600000000, -0.0000038800000000 ] - [ 0.0012612500000000, -0.0009432600000000, -0.0017613000000000 ] - [ 0.0002163900000000, -0.0000367600000000, 0.0000038800000000 ] - [ 0.0012612500000000, 0.0009432600000000, 0.0017613000000000 ] - [ 0.0013436600000000, -0.0010118900000000, 0.0013388500000000 ] - [ -0.0000743100000000, -0.0000768200000000, -0.0000394900000000 ] - [ 0.0013436600000000, 0.0010118900000000, -0.0013388500000000 ] - [ -0.0000743100000000, 0.0000768200000000, 0.0000394900000000 ] - [ -0.0001823000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001494800000000, -0.0002315000000000, 0.0001856800000000 ] - [ 0.0001577300000000, 0.0001803600000000, 0.0000164200000000 ] - [ 0.0001709400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002839900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001349000000000, 0.0002624800000000, -0.0000688900000000 ] - [ -0.0001893500000000, -0.0002630200000000, -0.0000353300000000 ] - [ -0.0002653500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000712100000000, 0.0000897900000000, 0.0000383300000000 ] - [ -0.0000243500000000, 0.0001092700000000, -0.0000310100000000 ] - [ 0.0000712100000000, -0.0000897900000000, -0.0000383300000000 ] - [ -0.0000243500000000, -0.0001092700000000, 0.0000310100000000 ] - [ -0.0001725500000000, -0.0000989100000000, 0.0000468400000000 ] - [ 0.0001349900000000, -0.0001199100000000, -0.0000439300000000 ] - [ -0.0001725500000000, 0.0000989100000000, -0.0000468400000000 ] - [ 0.0001349900000000, 0.0001199100000000, 0.0000439300000000 ] - [ 0.0000443300000000, -0.0006510100000000, 0.0001461000000000 ] - [ 0.0022695600000000, -0.0015835200000000, -0.0012035800000000 ] - [ -0.0003880600000000, -0.0002584400000000, -0.0003341600000000 ] - [ 0.0000443300000000, 0.0006510100000000, -0.0001461000000000 ] - [ -0.0001971300000000, -0.0005282200000000, -0.0000458100000000 ] - [ -0.0003880600000000, 0.0002584400000000, 0.0003341600000000 ] - [ 0.0022695600000000, 0.0015835200000000, 0.0012035800000000 ] - [ -0.0001971300000000, 0.0005282200000000, 0.0000458100000000 ] - [ -0.0000577600000000, -0.0001147600000000, -0.0003705400000000 ] - [ -0.0006830200000000, -0.0004362100000000, -0.0000110100000000 ] - [ 0.0022435700000000, 0.0014335000000000, -0.0008065700000000 ] - [ -0.0000577600000000, 0.0001147600000000, 0.0003705400000000 ] - [ 0.0006074800000000, 0.0001161400000000, -0.0003801700000000 ] - [ 0.0022435700000000, -0.0014335000000000, 0.0008065700000000 ] - [ -0.0006830200000000, 0.0004362100000000, 0.0000110100000000 ] - [ 0.0006074800000000, -0.0001161400000000, 0.0003801700000000 ] - [ 0.0001796400000000, -0.0003734800000000, -0.0000534900000000 ] - [ 0.0003779600000000, 0.0001943300000000, -0.0000594500000000 ] - [ -0.0003645300000000, -0.0002243300000000, -0.0000361600000000 ] - [ 0.0001796400000000, 0.0003734800000000, 0.0000534900000000 ] - [ -0.0001819800000000, -0.0003809400000000, 0.0000862800000000 ] - [ -0.0003645300000000, 0.0002243300000000, 0.0000361600000000 ] - [ 0.0003779600000000, -0.0001943300000000, 0.0000594500000000 ] - [ -0.0001819800000000, 0.0003809400000000, -0.0000862800000000 ] - [ -0.0001500200000000, 0.0003910100000000, 0.0000735400000000 ] - [ -0.0004350400000000, -0.0001014900000000, 0.0001280400000000 ] - [ 0.0004124400000000, 0.0001269300000000, 0.0001121700000000 ] - [ -0.0001500200000000, -0.0003910100000000, -0.0000735400000000 ] - [ 0.0001400300000000, 0.0004021800000000, -0.0001250400000000 ] - [ 0.0004124400000000, -0.0001269300000000, -0.0001121700000000 ] - [ -0.0004350400000000, 0.0001014900000000, -0.0001280400000000 ] - [ 0.0001400300000000, -0.0004021800000000, 0.0001250400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0133022500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001589300000000, -0.0002642800000000, 0.0000168300000000 ] - [ 0.0001505100000000, 0.0002114600000000, 0.0001854000000000 ] - [ 0.0000762300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003597700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001903200000000, 0.0001803000000000, -0.0000354900000000 ] - [ -0.0001357000000000, -0.0001798400000000, -0.0000690800000000 ] - [ -0.0006601000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000078700000000, 0.0001713200000000, 0.0000035100000000 ] - [ -0.0014781500000000, 0.0011629700000000, 0.0017801700000000 ] - [ -0.0000078700000000, -0.0001713200000000, -0.0000035100000000 ] - [ -0.0014781500000000, -0.0011629700000000, -0.0017801700000000 ] - [ -0.0015462100000000, 0.0007949400000000, -0.0013267000000000 ] - [ 0.0002831700000000, -0.0001331000000000, 0.0000404500000000 ] - [ -0.0015462100000000, -0.0007949400000000, 0.0013267000000000 ] - [ 0.0002831700000000, 0.0001331000000000, -0.0000404500000000 ] - [ -0.0002610500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001505100000000, -0.0002114600000000, -0.0001854000000000 ] - [ -0.0001589300000000, 0.0002642800000000, -0.0000168300000000 ] - [ 0.0002725500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001590700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001357000000000, 0.0001798400000000, 0.0000690800000000 ] - [ 0.0001903200000000, -0.0001803000000000, 0.0000354900000000 ] - [ -0.0001776400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001379100000000, 0.0001189600000000, -0.0000385200000000 ] - [ -0.0001844000000000, 0.0000995500000000, 0.0000313800000000 ] - [ 0.0001379100000000, -0.0001189600000000, 0.0000385200000000 ] - [ -0.0001844000000000, -0.0000995500000000, -0.0000313800000000 ] - [ -0.0000361300000000, -0.0001100300000000, -0.0000466700000000 ] - [ 0.0000737300000000, -0.0000888500000000, 0.0000440200000000 ] - [ -0.0000361300000000, 0.0001100300000000, 0.0000466700000000 ] - [ 0.0000737300000000, 0.0000888500000000, -0.0000440200000000 ] - [ 0.0002783700000000, -0.0001294000000000, -0.0003178700000000 ] - [ -0.0014535200000000, 0.0018586800000000, 0.0009969400000000 ] - [ -0.0003901700000000, -0.0000538500000000, 0.0001666100000000 ] - [ 0.0002783700000000, 0.0001294000000000, 0.0003178700000000 ] - [ -0.0001289400000000, -0.0002490100000000, 0.0002163600000000 ] - [ -0.0003901700000000, 0.0000538500000000, -0.0001666100000000 ] - [ -0.0014535200000000, -0.0018586800000000, -0.0009969400000000 ] - [ -0.0001289400000000, 0.0002490100000000, -0.0002163600000000 ] - [ -0.0002683200000000, 0.0008933100000000, 0.0005497600000000 ] - [ -0.0000983500000000, 0.0001084900000000, 0.0001876500000000 ] - [ -0.0015074100000000, -0.0011463400000000, 0.0010005700000000 ] - [ -0.0002683200000000, -0.0008933100000000, -0.0005497600000000 ] - [ -0.0002745000000000, 0.0006668300000000, 0.0002089000000000 ] - [ -0.0015074100000000, 0.0011463400000000, -0.0010005700000000 ] - [ -0.0000983500000000, -0.0001084900000000, -0.0001876500000000 ] - [ -0.0002745000000000, -0.0006668300000000, -0.0002089000000000 ] - [ 0.0001441900000000, -0.0004070700000000, -0.0001186800000000 ] - [ 0.0004036400000000, 0.0001320600000000, -0.0001120300000000 ] - [ -0.0004177100000000, -0.0001019000000000, -0.0001354400000000 ] - [ 0.0001441900000000, 0.0004070700000000, 0.0001186800000000 ] - [ -0.0001419200000000, -0.0003991500000000, 0.0000865900000000 ] - [ -0.0004177100000000, 0.0001019000000000, 0.0001354400000000 ] - [ 0.0004036400000000, -0.0001320600000000, 0.0001120300000000 ] - [ -0.0001419200000000, 0.0003991500000000, -0.0000865900000000 ] - [ -0.0001766800000000, 0.0003915200000000, 0.0000961800000000 ] - [ -0.0003458500000000, -0.0002232100000000, 0.0000442000000000 ] - [ 0.0003673700000000, 0.0001971700000000, 0.0000608600000000 ] - [ -0.0001766800000000, -0.0003915200000000, -0.0000961800000000 ] - [ 0.0001860100000000, 0.0003796800000000, -0.0000443500000000 ] - [ 0.0003673700000000, -0.0001971700000000, -0.0000608600000000 ] - [ -0.0003458500000000, 0.0002232100000000, -0.0000442000000000 ] - [ 0.0001860100000000, -0.0003796800000000, 0.0000443500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002389200000000, -0.0127791000000000, -0.0038427800000000 ] - [ 0.0001056100000000, -0.0000630800000000, 0.0000011300000000 ] - [ -0.0000225100000000, 0.0000715400000000, -0.0001993300000000 ] - [ 0.0002215000000000, 0.0003405300000000, -0.0001645700000000 ] - [ 0.0002206100000000, 0.0002381300000000, -0.0000200100000000 ] - [ -0.0001675500000000, 0.0003565200000000, 0.0001007200000000 ] - [ 0.0001678200000000, -0.0004102700000000, 0.0000834900000000 ] - [ -0.0002206000000000, -0.0002448200000000, -0.0000324800000000 ] - [ 0.0000454200000000, 0.0002937900000000, 0.0000045200000000 ] - [ -0.0012841000000000, 0.0000291900000000, 0.0010220400000000 ] - [ 0.0001618500000000, 0.0000863600000000, 0.0000045100000000 ] - [ 0.0010761500000000, -0.0001719700000000, 0.0010215000000000 ] - [ -0.0010082200000000, -0.0001828900000000, -0.0007500200000000 ] - [ 0.0002089700000000, 0.0007838700000000, -0.0004675400000000 ] - [ 0.0008002600000000, 0.0000202500000000, -0.0007492500000000 ] - [ 0.0000006300000000, 0.0009853300000000, -0.0004615500000000 ] - [ -0.0002209800000000, 0.0000524000000000, 0.0000323700000000 ] - [ 0.0000225000000000, -0.0003712200000000, -0.0001988100000000 ] - [ -0.0001059400000000, 0.0003800300000000, 0.0000011400000000 ] - [ 0.0002211500000000, -0.0000587400000000, 0.0000321700000000 ] - [ 0.0002211200000000, -0.0000324100000000, 0.0000310900000000 ] - [ -0.0001677700000000, 0.0000308700000000, 0.0000832500000000 ] - [ 0.0001680500000000, -0.0000856500000000, 0.0001005600000000 ] - [ -0.0002210100000000, 0.0000338700000000, 0.0000330100000000 ] - [ 0.0000818000000000, 0.0000568300000000, 0.0001085900000000 ] - [ -0.0001121900000000, 0.0001680000000000, 0.0001143000000000 ] - [ 0.0001262800000000, -0.0001513400000000, 0.0001086100000000 ] - [ -0.0000959300000000, -0.0000397200000000, 0.0001135700000000 ] - [ -0.0000782800000000, -0.0000665200000000, -0.0000171500000000 ] - [ 0.0001091200000000, -0.0001559200000000, -0.0000307100000000 ] - [ -0.0001295700000000, 0.0001414400000000, -0.0000172100000000 ] - [ 0.0000991700000000, 0.0000520300000000, -0.0000308600000000 ] - [ 0.0003555000000000, -0.0003586400000000, 0.0000694700000000 ] - [ -0.0009080600000000, 0.0013822000000000, 0.0009232600000000 ] - [ -0.0009899500000000, 0.0025962500000000, 0.0012998900000000 ] - [ -0.0000305900000000, 0.0004273200000000, 0.0002390600000000 ] - [ 0.0001348900000000, -0.0004027400000000, 0.0003402500000000 ] - [ 0.0002277300000000, 0.0030106300000000, 0.0015181600000000 ] - [ 0.0017131100000000, 0.0010721000000000, 0.0011096300000000 ] - [ -0.0004608600000000, 0.0003813000000000, 0.0001685700000000 ] - [ -0.0006440000000000, 0.0009790900000000, 0.0008919400000000 ] - [ -0.0007485500000000, -0.0001566800000000, 0.0000573000000000 ] - [ 0.0020153000000000, 0.0011040900000000, -0.0007038900000000 ] - [ 0.0003195500000000, 0.0001968000000000, 0.0007253900000000 ] - [ -0.0002177700000000, 0.0001472700000000, -0.0006596100000000 ] - [ -0.0012583000000000, 0.0007880900000000, -0.0008850500000000 ] - [ -0.0000385000000000, 0.0001733100000000, -0.0001147800000000 ] - [ 0.0005475700000000, -0.0006487200000000, -0.0004934400000000 ] - [ 0.0001665300000000, -0.0004399100000000, -0.0000564000000000 ] - [ 0.0003434600000000, 0.0002043000000000, -0.0001375300000000 ] - [ -0.0003702500000000, -0.0002166500000000, -0.0001074100000000 ] - [ 0.0001619700000000, 0.0003449900000000, 0.0001130000000000 ] - [ -0.0001647200000000, -0.0003559900000000, 0.0000741400000000 ] - [ -0.0004130100000000, 0.0001120400000000, 0.0000625800000000 ] - [ 0.0004393500000000, -0.0001232200000000, 0.0000328900000000 ] - [ -0.0001635600000000, 0.0004287300000000, -0.0000954400000000 ] - [ -0.0001948700000000, 0.0004332400000000, 0.0000347200000000 ] - [ -0.0003705000000000, -0.0002214000000000, 0.0000673300000000 ] - [ 0.0003916600000000, 0.0002561000000000, 0.0000388400000000 ] - [ -0.0001338900000000, -0.0003510700000000, -0.0001340100000000 ] - [ 0.0001408000000000, 0.0003388500000000, -0.0001644900000000 ] - [ 0.0003917400000000, -0.0000719600000000, -0.0001317600000000 ] - [ -0.0004133100000000, 0.0001068500000000, -0.0001025000000000 ] - [ 0.0001871000000000, -0.0004439100000000, 0.0000055600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002369200000000, -0.0038423400000000, -0.0126476000000000 ] - [ -0.0000012600000000, -0.0002050400000000, 0.0001347800000000 ] - [ -0.0002006800000000, 0.0000345200000000, 0.0006356200000000 ] - [ 0.0002215300000000, 0.0001646300000000, -0.0002895100000000 ] - [ 0.0002211900000000, -0.0000199200000000, -0.0001464400000000 ] - [ -0.0000831600000000, 0.0002905900000000, 0.0000798100000000 ] - [ 0.0001004100000000, -0.0002563300000000, 0.0000798300000000 ] - [ -0.0002211300000000, 0.0000326700000000, -0.0001930100000000 ] - [ 0.0000633500000000, 0.0000826100000000, -0.0000807400000000 ] - [ -0.0018643500000000, 0.0009804900000000, 0.0009240000000000 ] - [ 0.0001437500000000, -0.0001251600000000, -0.0000803000000000 ] - [ 0.0016428400000000, 0.0007652900000000, 0.0009232900000000 ] - [ 0.0013368000000000, -0.0007711900000000, 0.0005355200000000 ] - [ 0.0001134000000000, -0.0005569500000000, 0.0000342700000000 ] - [ -0.0015353100000000, -0.0005590400000000, 0.0005364100000000 ] - [ 0.0000954300000000, -0.0003521700000000, 0.0000339100000000 ] - [ -0.0002213100000000, 0.0000325000000000, 0.0000676800000000 ] - [ 0.0001976000000000, -0.0004054500000000, 0.0006274700000000 ] - [ 0.0000010600000000, 0.0002384400000000, 0.0001349900000000 ] - [ 0.0002214800000000, -0.0000320300000000, 0.0000645300000000 ] - [ 0.0002213100000000, 0.0000311300000000, 0.0000740300000000 ] - [ -0.0001008600000000, 0.0001857500000000, 0.0000801900000000 ] - [ 0.0000836500000000, -0.0001523800000000, 0.0000800900000000 ] - [ -0.0002214900000000, -0.0000329100000000, 0.0000705600000000 ] - [ 0.0000926800000000, 0.0000995700000000, 0.0001632200000000 ] - [ -0.0001008000000000, 0.0001047400000000, 0.0001077200000000 ] - [ 0.0001155600000000, -0.0001089700000000, 0.0001625500000000 ] - [ -0.0001075000000000, -0.0001039200000000, 0.0001066000000000 ] - [ -0.0000928800000000, -0.0000919600000000, 0.0000684000000000 ] - [ 0.0001166800000000, -0.0001162700000000, 0.0000705200000000 ] - [ -0.0001155500000000, 0.0001161800000000, 0.0000682000000000 ] - [ 0.0000916300000000, 0.0000920200000000, 0.0000707900000000 ] - [ 0.0000756800000000, -0.0003531300000000, 0.0001011100000000 ] - [ -0.0003027600000000, 0.0011207900000000, 0.0005282600000000 ] - [ -0.0007382900000000, 0.0006453200000000, 0.0003258500000000 ] - [ 0.0002520400000000, 0.0004349500000000, 0.0002682400000000 ] - [ -0.0000556800000000, -0.0004651900000000, 0.0002699000000000 ] - [ -0.0000454500000000, 0.0009750200000000, 0.0004934300000000 ] - [ 0.0010878400000000, 0.0007933700000000, 0.0006956800000000 ] - [ -0.0002746100000000, 0.0003210300000000, 0.0001024900000000 ] - [ -0.0009137200000000, 0.0017026000000000, 0.0023229000000000 ] - [ -0.0000537500000000, 0.0000761400000000, 0.0002370100000000 ] - [ -0.0003842600000000, -0.0003938500000000, 0.0005865400000000 ] - [ 0.0006149200000000, 0.0009691600000000, 0.0022195800000000 ] - [ -0.0001022200000000, -0.0001600600000000, 0.0001073900000000 ] - [ 0.0011645600000000, -0.0007185600000000, 0.0004214900000000 ] - [ -0.0007333700000000, 0.0004047400000000, 0.0000664100000000 ] - [ 0.0004332400000000, -0.0009507700000000, 0.0002657300000000 ] - [ 0.0001311500000000, -0.0003708800000000, -0.0001804300000000 ] - [ 0.0003722700000000, 0.0001477700000000, -0.0001651100000000 ] - [ -0.0003641900000000, -0.0001398500000000, -0.0001798200000000 ] - [ 0.0001975700000000, 0.0004151800000000, -0.0000127800000000 ] - [ -0.0002139400000000, -0.0004063400000000, 0.0000279500000000 ] - [ -0.0004198000000000, 0.0001889700000000, -0.0000101400000000 ] - [ 0.0004121300000000, -0.0001810800000000, 0.0000041500000000 ] - [ -0.0001150900000000, 0.0003786900000000, -0.0001408200000000 ] - [ -0.0002002200000000, 0.0004220200000000, 0.0000201300000000 ] - [ -0.0004018300000000, -0.0001951000000000, -0.0000148000000000 ] - [ 0.0004180900000000, 0.0002265500000000, -0.0000679100000000 ] - [ -0.0001289600000000, -0.0003630300000000, -0.0001479000000000 ] - [ 0.0001037900000000, 0.0003542200000000, -0.0001949400000000 ] - [ 0.0003665100000000, -0.0001023500000000, -0.0002373000000000 ] - [ -0.0003835900000000, 0.0001340900000000, -0.0001831200000000 ] - [ 0.0002248400000000, -0.0004295200000000, -0.0000265200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001091300000000, -0.0000580300000000, -0.0000401300000000 ] - [ -0.0000470400000000, -0.0002355100000000, 0.0000047300000000 ] - [ 0.0000637600000000, 0.0002162500000000, 0.0000002600000000 ] - [ 0.0015872600000000, 0.0011741600000000, -0.0017443400000000 ] - [ 0.0016688200000000, -0.0009084000000000, 0.0014429400000000 ] - [ 0.0000372500000000, 0.0002268300000000, -0.0000119900000000 ] - [ -0.0000517400000000, -0.0002055000000000, -0.0000121800000000 ] - [ -0.0003990700000000, -0.0001047300000000, 0.0000085600000000 ] - [ -0.0121164000000000, 0.0009936700000000, -0.0003668400000000 ] - [ -0.0000539700000000, 0.0001108900000000, 0.0000234700000000 ] - [ 0.0000416000000000, -0.0000954200000000, 0.0000270700000000 ] - [ 0.0015041700000000, 0.0019437100000000, 0.0000009300000000 ] - [ -0.0001652300000000, -0.0001002100000000, -0.0000720000000000 ] - [ 0.0002759900000000, -0.0000201500000000, -0.0000128200000000 ] - [ -0.0002821800000000, 0.0000200800000000, -0.0000104300000000 ] - [ 0.0001661300000000, 0.0001280000000000, -0.0000692600000000 ] - [ -0.0002541800000000, -0.0000220700000000, -0.0000114500000000 ] - [ 0.0001896600000000, -0.0002883100000000, 0.0000212700000000 ] - [ -0.0000679200000000, 0.0012745200000000, 0.0008732800000000 ] - [ 0.0003011900000000, 0.0000081300000000, 0.0000031100000000 ] - [ 0.0001531500000000, 0.0000256900000000, 0.0000112200000000 ] - [ -0.0000789700000000, -0.0006813200000000, 0.0006644800000000 ] - [ 0.0008874100000000, -0.0002494900000000, -0.0004577900000000 ] - [ -0.0001904800000000, -0.0000048100000000, 0.0000124900000000 ] - [ 0.0001271600000000, 0.0001028100000000, 0.0000059100000000 ] - [ -0.0001290900000000, 0.0000959000000000, 0.0002142500000000 ] - [ 0.0001605800000000, -0.0001109100000000, 0.0000942500000000 ] - [ -0.0001247300000000, -0.0001019400000000, 0.0000020400000000 ] - [ -0.0000441300000000, -0.0001002600000000, -0.0000487600000000 ] - [ 0.0000624500000000, -0.0001197600000000, -0.0000216200000000 ] - [ -0.0000568100000000, 0.0001201300000000, -0.0000038000000000 ] - [ 0.0000254000000000, 0.0001277800000000, -0.0000269600000000 ] - [ 0.0003229600000000, -0.0003607200000000, 0.0000079800000000 ] - [ 0.0025437600000000, -0.0008344100000000, -0.0002495600000000 ] - [ -0.0008194100000000, -0.0004043600000000, 0.0001342500000000 ] - [ 0.0010345500000000, -0.0010951200000000, -0.0000700300000000 ] - [ 0.0000235200000000, 0.0000991000000000, 0.0001859800000000 ] - [ -0.0004114600000000, 0.0001528700000000, 0.0001510400000000 ] - [ 0.0003369100000000, -0.0001510500000000, 0.0001326900000000 ] - [ -0.0001267700000000, 0.0002639700000000, -0.0002506300000000 ] - [ -0.0004420300000000, 0.0009963400000000, -0.0001871800000000 ] - [ -0.0006952600000000, -0.0002109700000000, 0.0002702700000000 ] - [ 0.0005269500000000, 0.0001249600000000, -0.0001824900000000 ] - [ -0.0001444000000000, -0.0004483700000000, -0.0000588800000000 ] - [ 0.0001138900000000, 0.0003972200000000, -0.0000431900000000 ] - [ 0.0006245800000000, -0.0001293700000000, -0.0001582000000000 ] - [ -0.0003735000000000, -0.0001652000000000, 0.0000209600000000 ] - [ 0.0041746900000000, -0.0011657300000000, 0.0005974100000000 ] - [ 0.0001116500000000, -0.0003858000000000, -0.0001090500000000 ] - [ 0.0003906800000000, 0.0001460700000000, -0.0000818600000000 ] - [ -0.0004170300000000, -0.0001586700000000, -0.0000558500000000 ] - [ 0.0001698900000000, 0.0004054100000000, 0.0000712800000000 ] - [ -0.0001312000000000, -0.0003876600000000, 0.0001076800000000 ] - [ -0.0003393400000000, -0.0000392400000000, 0.0004055500000000 ] - [ 0.0004776200000000, -0.0001281900000000, 0.0000670000000000 ] - [ -0.0001700500000000, 0.0004020400000000, -0.0001013700000000 ] - [ -0.0001808300000000, 0.0003733600000000, 0.0000879900000000 ] - [ -0.0004150200000000, -0.0002619600000000, 0.0000062800000000 ] - [ 0.0003517100000000, 0.0002021400000000, 0.0000454100000000 ] - [ -0.0000680600000000, -0.0003426900000000, -0.0011831300000000 ] - [ 0.0002374800000000, 0.0003425100000000, 0.0000644800000000 ] - [ 0.0003987800000000, -0.0001765500000000, -0.0000851000000000 ] - [ -0.0003789800000000, 0.0001595300000000, -0.0001048100000000 ] - [ 0.0001928400000000, -0.0003811800000000, 0.0000651800000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003334400000000, 0.0000583600000000, 0.0000403200000000 ] - [ 0.0000476500000000, -0.0002063400000000, -0.0000047800000000 ] - [ -0.0000643600000000, 0.0002258300000000, -0.0000004300000000 ] - [ -0.0011522700000000, -0.0011862500000000, 0.0017629000000000 ] - [ -0.0012211900000000, 0.0009001100000000, -0.0014291100000000 ] - [ -0.0000375600000000, 0.0002156300000000, 0.0000120800000000 ] - [ 0.0000522600000000, -0.0002365700000000, 0.0000123000000000 ] - [ -0.0000417200000000, 0.0001035900000000, -0.0000093900000000 ] - [ 0.0125138700000000, -0.0008231100000000, 0.0003851300000000 ] - [ -0.0001541900000000, 0.0000968600000000, -0.0000234700000000 ] - [ 0.0001667800000000, -0.0001120700000000, -0.0000272700000000 ] - [ -0.0017105300000000, -0.0021309900000000, -0.0000004900000000 ] - [ -0.0000424200000000, -0.0001076300000000, 0.0000727200000000 ] - [ -0.0000684500000000, -0.0001888900000000, 0.0000128700000000 ] - [ 0.0000746600000000, 0.0001887400000000, 0.0000108100000000 ] - [ 0.0000416300000000, 0.0000805300000000, 0.0000702900000000 ] - [ -0.0001875200000000, 0.0000223600000000, 0.0000114700000000 ] - [ -0.0001902900000000, -0.0001538200000000, -0.0000214200000000 ] - [ 0.0000749900000000, -0.0008316900000000, -0.0008722900000000 ] - [ 0.0001409800000000, -0.0000080700000000, -0.0000033600000000 ] - [ 0.0002894200000000, -0.0000256300000000, -0.0000113300000000 ] - [ 0.0000838000000000, 0.0011253700000000, -0.0006658500000000 ] - [ -0.0008816300000000, -0.0001931600000000, 0.0004515100000000 ] - [ -0.0002518300000000, 0.0000051000000000, -0.0000125600000000 ] - [ 0.0000807600000000, 0.0001054100000000, -0.0000058900000000 ] - [ -0.0000788200000000, 0.0001124900000000, -0.0002155900000000 ] - [ 0.0000470700000000, -0.0000968900000000, -0.0000941900000000 ] - [ -0.0000830300000000, -0.0001058700000000, -0.0000021700000000 ] - [ -0.0001640900000000, -0.0001076700000000, 0.0000485400000000 ] - [ 0.0001459300000000, -0.0000880500000000, 0.0000214700000000 ] - [ -0.0001512200000000, 0.0000883800000000, 0.0000035600000000 ] - [ 0.0001832800000000, 0.0000802800000000, 0.0000270200000000 ] - [ 0.0000055000000000, -0.0004275700000000, -0.0001761400000000 ] - [ -0.0018149900000000, 0.0011930700000000, 0.0000861700000000 ] - [ 0.0000233800000000, 0.0000771100000000, -0.0003071700000000 ] - [ -0.0007025700000000, 0.0018553700000000, 0.0002351000000000 ] - [ -0.0003487400000000, -0.0008859500000000, -0.0000185200000000 ] - [ -0.0003756300000000, 0.0001767200000000, 0.0000174200000000 ] - [ 0.0004522000000000, -0.0001762200000000, 0.0000353000000000 ] - [ -0.0002007200000000, 0.0005224100000000, 0.0000831400000000 ] - [ 0.0001039500000000, -0.0002144300000000, 0.0003578400000000 ] - [ -0.0000936200000000, -0.0001192300000000, -0.0001143400000000 ] - [ 0.0002610300000000, 0.0002029500000000, 0.0003502200000000 ] - [ -0.0001835600000000, -0.0003374200000000, -0.0001113200000000 ] - [ 0.0002143800000000, 0.0003909100000000, -0.0001264800000000 ] - [ 0.0001616600000000, -0.0002032600000000, -0.0000111400000000 ] - [ -0.0004139700000000, 0.0005075500000000, -0.0001942000000000 ] - [ -0.0039783100000000, 0.0004068100000000, -0.0004571200000000 ] - [ 0.0002165400000000, -0.0003998700000000, -0.0000600700000000 ] - [ 0.0003912000000000, 0.0001816200000000, -0.0000886300000000 ] - [ -0.0003669000000000, -0.0001704500000000, -0.0001136100000000 ] - [ 0.0001601800000000, 0.0003810300000000, 0.0000973400000000 ] - [ -0.0001961000000000, -0.0003980300000000, 0.0000620900000000 ] - [ -0.0004437200000000, 0.0003675500000000, -0.0002365600000000 ] - [ 0.0003070800000000, -0.0002004900000000, 0.0001005300000000 ] - [ -0.0001593300000000, 0.0003830400000000, -0.0000676100000000 ] - [ -0.0001475300000000, 0.0004113300000000, 0.0000807900000000 ] - [ -0.0003709800000000, -0.0000660200000000, 0.0001624000000000 ] - [ 0.0004319500000000, 0.0001253500000000, 0.0001249500000000 ] - [ -0.0002694700000000, -0.0004433900000000, 0.0010247700000000 ] - [ 0.0000911300000000, 0.0004398000000000, -0.0002341600000000 ] - [ 0.0003874000000000, -0.0001518000000000, -0.0000834400000000 ] - [ -0.0004053200000000, 0.0001677900000000, -0.0000653300000000 ] - [ 0.0001353100000000, -0.0004026100000000, 0.0001043700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002250500000000, 0.0000044700000000, -0.0000810300000000 ] - [ -0.0001086300000000, -0.0002597700000000, 0.0001633600000000 ] - [ 0.0001137600000000, 0.0002528200000000, 0.0001075500000000 ] - [ -0.0015553700000000, -0.0010253200000000, 0.0009236400000000 ] - [ 0.0015586700000000, -0.0007519600000000, 0.0005355300000000 ] - [ 0.0000170200000000, 0.0001749000000000, 0.0000684400000000 ] - [ -0.0000306600000000, -0.0001774500000000, 0.0000707100000000 ] - [ -0.0002616400000000, 0.0004656400000000, 0.0000339500000000 ] - [ -0.0002804400000000, 0.0004717400000000, -0.0123588800000000 ] - [ -0.0000807300000000, 0.0001984500000000, -0.0000577000000000 ] - [ 0.0000768400000000, -0.0003201100000000, 0.0001725800000000 ] - [ -0.0001075500000000, -0.0001060200000000, -0.0007138800000000 ] - [ -0.0001763400000000, -0.0000551900000000, -0.0000032100000000 ] - [ 0.0000911700000000, -0.0001147500000000, -0.0000833400000000 ] - [ -0.0000936600000000, 0.0001169400000000, -0.0000830500000000 ] - [ 0.0001738900000000, 0.0000771700000000, -0.0000152800000000 ] - [ -0.0001829900000000, 0.0001086600000000, 0.0001623100000000 ] - [ -0.0000044700000000, -0.0002176400000000, -0.0000799900000000 ] - [ 0.0010182000000000, 0.0019861800000000, 0.0009237600000000 ] - [ 0.0001905700000000, -0.0001138500000000, 0.0001069700000000 ] - [ 0.0002681100000000, -0.0000171100000000, 0.0000682300000000 ] - [ 0.0007472700000000, -0.0011066800000000, 0.0005365500000000 ] - [ -0.0004637100000000, -0.0001816000000000, 0.0000342100000000 ] - [ -0.0002655900000000, 0.0000310000000000, 0.0000706700000000 ] - [ 0.0001100200000000, 0.0000982700000000, 0.0000910300000000 ] - [ 0.0001097100000000, 0.0001313600000000, 0.0001698600000000 ] - [ 0.0000098600000000, -0.0001275800000000, -0.0000575000000000 ] - [ -0.0001062400000000, -0.0001018800000000, 0.0000685500000000 ] - [ -0.0001526100000000, -0.0000315800000000, -0.0000030700000000 ] - [ 0.0000829900000000, -0.0001077100000000, 0.0002166800000000 ] - [ -0.0001005500000000, 0.0001261200000000, 0.0002170300000000 ] - [ 0.0001310700000000, 0.0000345300000000, -0.0000151700000000 ] - [ -0.0001248700000000, -0.0002416200000000, -0.0003507100000000 ] - [ -0.0003175200000000, 0.0005447500000000, 0.0001124500000000 ] - [ -0.0006339600000000, -0.0001408100000000, 0.0002414900000000 ] - [ -0.0002173600000000, 0.0011047000000000, 0.0002849700000000 ] - [ -0.0001891100000000, -0.0001523200000000, 0.0004103100000000 ] - [ -0.0004166100000000, 0.0002350600000000, 0.0000185800000000 ] - [ 0.0004275500000000, -0.0001595600000000, 0.0000250100000000 ] - [ -0.0003182900000000, -0.0001166400000000, -0.0004012500000000 ] - [ 0.0001036200000000, 0.0002934600000000, 0.0004313600000000 ] - [ 0.0001562600000000, 0.0008496800000000, 0.0048934000000000 ] - [ 0.0002410200000000, -0.0000679100000000, -0.0002121600000000 ] - [ -0.0001426300000000, -0.0003460300000000, -0.0001050800000000 ] - [ 0.0001907000000000, 0.0004327400000000, -0.0000774100000000 ] - [ 0.0004929400000000, -0.0004350200000000, 0.0002631400000000 ] - [ -0.0002719400000000, -0.0007937400000000, 0.0001748800000000 ] - [ 0.0011230900000000, -0.0005114600000000, 0.0003473200000000 ] - [ 0.0000943900000000, -0.0003694000000000, -0.0001494500000000 ] - [ 0.0003487300000000, 0.0000622200000000, -0.0002321300000000 ] - [ -0.0003624900000000, -0.0000782800000000, -0.0002021200000000 ] - [ 0.0002676300000000, 0.0004354700000000, -0.0000639500000000 ] - [ -0.0002501400000000, -0.0004211000000000, -0.0000327200000000 ] - [ -0.0005382600000000, 0.0004495200000000, -0.0001883100000000 ] - [ 0.0008937500000000, -0.0000094200000000, -0.0002408600000000 ] - [ -0.0001690000000000, 0.0003586400000000, -0.0001429300000000 ] - [ -0.0002079800000000, 0.0004388100000000, -0.0000165700000000 ] - [ -0.0004386900000000, -0.0001857000000000, 0.0000638700000000 ] - [ 0.0003530500000000, 0.0001377900000000, 0.0000910600000000 ] - [ -0.0011430700000000, -0.0009274500000000, 0.0045735600000000 ] - [ 0.0003905400000000, 0.0005373400000000, -0.0003762000000000 ] - [ 0.0003465300000000, -0.0001206000000000, -0.0001845500000000 ] - [ -0.0003674000000000, 0.0001518500000000, -0.0001563600000000 ] - [ 0.0001766300000000, -0.0004169900000000, 0.0000118500000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003364900000000, 0.0001933100000000, -0.0000878900000000 ] - [ 0.0027577200000000, -0.0001239300000000, -0.0007888900000000 ] - [ 0.0012374200000000, 0.0019594600000000, 0.0009662800000000 ] - [ 0.0001857300000000, -0.0002984100000000, 0.0001094800000000 ] - [ 0.0003266900000000, -0.0004842900000000, -0.0007658900000000 ] - [ 0.0009497600000000, -0.0010821800000000, 0.0005621400000000 ] - [ 0.0000076600000000, 0.0000519700000000, 0.0002412000000000 ] - [ 0.0002202700000000, 0.0003830400000000, -0.0002682500000000 ] - [ 0.0002620300000000, -0.0000993200000000, -0.0002870700000000 ] - [ 0.0000824500000000, 0.0003460300000000, -0.0000229600000000 ] - [ 0.0009720600000000, 0.0009004400000000, 0.0003793100000000 ] - [ -0.0000667000000000, -0.0000676100000000, 0.0001527800000000 ] - [ -0.0003793400000000, -0.0000657200000000, 0.0002693100000000 ] - [ 0.0000540700000000, -0.0001427800000000, 0.0000266800000000 ] - [ -0.0000841300000000, 0.0002019600000000, -0.0000210300000000 ] - [ 0.0042461000000000, -0.0002368300000000, -0.0009795800000000 ] - [ -0.0002028400000000, 0.0000024600000000, -0.0000321100000000 ] - [ -0.0000517600000000, -0.0001598700000000, -0.0000247200000000 ] - [ 0.0000411700000000, 0.0001897300000000, -0.0000165100000000 ] - [ 0.0002006600000000, 0.0000011500000000, -0.0000493300000000 ] - [ 0.0002347200000000, -0.0000303100000000, -0.0000350800000000 ] - [ 0.0000928200000000, 0.0002556800000000, -0.0000624500000000 ] - [ -0.0000565900000000, -0.0002814700000000, -0.0000304400000000 ] - [ -0.0002436000000000, 0.0000226800000000, -0.0000596400000000 ] - [ 0.0000517400000000, 0.0000919800000000, -0.0000699600000000 ] - [ -0.0000714800000000, 0.0000981300000000, -0.0000860400000000 ] - [ 0.0001095500000000, -0.0000862200000000, -0.0001019100000000 ] - [ -0.0001093300000000, -0.0000917100000000, 0.0000045900000000 ] - [ -0.0001204800000000, -0.0001163100000000, -0.0000435600000000 ] - [ 0.0001768900000000, -0.0000640300000000, 0.0002312800000000 ] - [ -0.0000069000000000, 0.0001484500000000, 0.0009924000000000 ] - [ 0.0001325000000000, 0.0000995900000000, -0.0000120900000000 ] - [ -0.0379255700000000, 0.0150812900000000, -0.0128551600000000 ] - [ 0.0006996300000000, 0.0000412900000000, 0.0001509600000000 ] - [ -0.0003946000000000, -0.0000925100000000, -0.0001557400000000 ] - [ -0.0000364500000000, 0.0003175000000000, 0.0000903900000000 ] - [ -0.0002790700000000, -0.0005070100000000, -0.0000562900000000 ] - [ -0.0002765800000000, -0.0000154500000000, 0.0000639500000000 ] - [ 0.0007466200000000, -0.0002527200000000, 0.0000718100000000 ] - [ 0.0094152000000000, -0.0156504000000000, 0.0002730900000000 ] - [ 0.0001419900000000, 0.0002956700000000, 0.0004706500000000 ] - [ 0.0159804300000000, -0.0047991000000000, 0.0157630800000000 ] - [ 0.0008266800000000, 0.0048357800000000, -0.0043685500000000 ] - [ -0.0002208700000000, -0.0004396700000000, -0.0001032100000000 ] - [ 0.0002851100000000, 0.0002481100000000, -0.0001270200000000 ] - [ 0.0003635700000000, -0.0001703900000000, -0.0000226600000000 ] - [ -0.0003751800000000, 0.0001099300000000, -0.0001656600000000 ] - [ 0.0001300000000000, -0.0004755000000000, 0.0002345700000000 ] - [ 0.0001894200000000, -0.0003844500000000, -0.0000593000000000 ] - [ 0.0002980900000000, 0.0000917800000000, 0.0000115500000000 ] - [ -0.0003848200000000, -0.0000440100000000, -0.0000531700000000 ] - [ 0.0002168200000000, 0.0003579200000000, 0.0000853700000000 ] - [ -0.0002091600000000, -0.0003679800000000, 0.0001148000000000 ] - [ -0.0002330000000000, 0.0001880300000000, 0.0001613500000000 ] - [ 0.0003572300000000, -0.0001571100000000, 0.0001170400000000 ] - [ -0.0001991900000000, 0.0003945700000000, -0.0000567600000000 ] - [ -0.0001014900000000, 0.0002530500000000, 0.0001915200000000 ] - [ -0.0004026300000000, -0.0001199500000000, 0.0001216400000000 ] - [ 0.0003896200000000, 0.0001198000000000, 0.0001305500000000 ] - [ -0.0001429100000000, -0.0004190700000000, 0.0000141100000000 ] - [ 0.0001444500000000, 0.0004472600000000, -0.0000243000000000 ] - [ 0.0006393000000000, -0.0001691200000000, 0.0000084000000000 ] - [ -0.0003416800000000, 0.0001087700000000, -0.0001943800000000 ] - [ 0.0000866300000000, -0.0003413900000000, 0.0000773400000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001015300000000, -0.0001932700000000, 0.0000890300000000 ] - [ -0.0028449200000000, -0.0003329800000000, 0.0008303200000000 ] - [ -0.0012135300000000, -0.0014777600000000, -0.0009478400000000 ] - [ 0.0002610600000000, 0.0002981400000000, -0.0001093200000000 ] - [ 0.0001245900000000, 0.0004795600000000, 0.0007626300000000 ] - [ -0.0009394000000000, 0.0015008700000000, -0.0005503100000000 ] - [ -0.0000048600000000, -0.0004962600000000, -0.0002406300000000 ] - [ -0.0006621800000000, -0.0003826200000000, 0.0002680900000000 ] - [ -0.0000550100000000, 0.0003049400000000, 0.0002879200000000 ] - [ -0.0002838000000000, -0.0001388900000000, 0.0000253500000000 ] - [ -0.0007639800000000, -0.0011239600000000, -0.0003827100000000 ] - [ -0.0001345400000000, -0.0001373200000000, -0.0001565700000000 ] - [ 0.0001741400000000, -0.0001379100000000, -0.0002692500000000 ] - [ 0.0001553400000000, -0.0000623000000000, -0.0000260700000000 ] - [ -0.0001167600000000, 0.0000028500000000, 0.0000216100000000 ] - [ -0.0039070000000000, 0.0004335900000000, 0.0009367300000000 ] - [ -0.0002385600000000, -0.0000028800000000, 0.0000322100000000 ] - [ 0.0000564700000000, -0.0002855000000000, 0.0000247000000000 ] - [ -0.0000372700000000, 0.0002553000000000, 0.0000165600000000 ] - [ 0.0002486600000000, -0.0000007900000000, 0.0000497500000000 ] - [ 0.0002150300000000, 0.0000309000000000, 0.0000352800000000 ] - [ -0.0000887100000000, 0.0001893700000000, 0.0000626600000000 ] - [ 0.0000608500000000, -0.0001636400000000, 0.0000304600000000 ] - [ -0.0001973900000000, -0.0000232800000000, 0.0000603600000000 ] - [ 0.0001571100000000, 0.0001128100000000, 0.0000698500000000 ] - [ -0.0001292500000000, 0.0001066300000000, 0.0000861700000000 ] - [ 0.0000996000000000, -0.0001187300000000, 0.0001021800000000 ] - [ -0.0000913500000000, -0.0001137400000000, -0.0000042600000000 ] - [ -0.0000801600000000, -0.0000888700000000, 0.0000436500000000 ] - [ 0.0000303100000000, -0.0001389300000000, -0.0002281100000000 ] - [ -0.0002020700000000, 0.0000538300000000, -0.0010004700000000 ] - [ 0.0000763200000000, 0.0001049700000000, 0.0000117500000000 ] - [ 0.0383356100000000, -0.0161539000000000, 0.0130432900000000 ] - [ 0.0000965600000000, 0.0002880000000000, -0.0003139800000000 ] - [ -0.0003917400000000, -0.0002384000000000, -0.0000102000000000 ] - [ 0.0003708400000000, 0.0004764900000000, 0.0000755700000000 ] - [ -0.0000486900000000, -0.0002901200000000, 0.0002207600000000 ] - [ -0.0005163300000000, 0.0003474500000000, 0.0001011700000000 ] - [ 0.0000581700000000, -0.0000779100000000, 0.0000921000000000 ] - [ -0.0097946500000000, 0.0166945300000000, -0.0004550400000000 ] - [ -0.0004695900000000, 0.0004951500000000, -0.0003069000000000 ] - [ -0.0170731300000000, 0.0046054100000000, -0.0160263900000000 ] - [ -0.0000481500000000, -0.0045676700000000, 0.0045966100000000 ] - [ -0.0001034000000000, -0.0003565000000000, -0.0000654100000000 ] - [ 0.0000477700000000, 0.0005476400000000, -0.0000409200000000 ] - [ 0.0004357100000000, -0.0001637000000000, -0.0001411800000000 ] - [ -0.0004178200000000, 0.0002209700000000, 0.0000024800000000 ] - [ 0.0002017900000000, -0.0003120600000000, -0.0000656600000000 ] - [ 0.0001446700000000, -0.0004082300000000, -0.0001066100000000 ] - [ 0.0004937800000000, 0.0002369900000000, -0.0001812100000000 ] - [ -0.0004035900000000, -0.0002910100000000, -0.0001092000000000 ] - [ 0.0001190700000000, 0.0004432500000000, 0.0000765100000000 ] - [ -0.0001187400000000, -0.0004285100000000, 0.0000464000000000 ] - [ -0.0005602400000000, 0.0001434400000000, 0.0000035900000000 ] - [ 0.0004445400000000, -0.0001750800000000, 0.0000472900000000 ] - [ -0.0001283500000000, 0.0003967700000000, -0.0001097400000000 ] - [ -0.0002269400000000, 0.0005326500000000, -0.0000218500000000 ] - [ -0.0003870500000000, -0.0002114200000000, 0.0000429900000000 ] - [ 0.0004065500000000, 0.0002107900000000, 0.0000349500000000 ] - [ -0.0001857500000000, -0.0003822800000000, -0.0001740900000000 ] - [ 0.0001909300000000, 0.0003508900000000, -0.0001374200000000 ] - [ 0.0001650600000000, -0.0001616200000000, -0.0001698800000000 ] - [ -0.0004508700000000, 0.0002206800000000, 0.0000301900000000 ] - [ 0.0002467800000000, -0.0004468300000000, 0.0000900400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004816600000000, 0.0000359300000000, 0.0000422200000000 ] - [ 0.0006116900000000, -0.0002228900000000, -0.0003490400000000 ] - [ 0.0013315600000000, 0.0021032600000000, 0.0007058000000000 ] - [ 0.0003613400000000, -0.0000112800000000, 0.0000728400000000 ] - [ -0.0002775800000000, 0.0005852600000000, 0.0013265800000000 ] - [ -0.0016149900000000, 0.0020782100000000, -0.0007640200000000 ] - [ 0.0003563100000000, -0.0005128100000000, -0.0003420300000000 ] - [ 0.0000522700000000, -0.0002493200000000, 0.0005564300000000 ] - [ 0.0001383000000000, 0.0001576500000000, 0.0001497900000000 ] - [ -0.0005967500000000, -0.0003140900000000, -0.0002426400000000 ] - [ 0.0015570900000000, 0.0020449000000000, 0.0006999400000000 ] - [ -0.0002333600000000, -0.0000176900000000, 0.0005074500000000 ] - [ 0.0005034600000000, 0.0001291400000000, -0.0001009000000000 ] - [ 0.0001009300000000, -0.0001436500000000, -0.0000376700000000 ] - [ -0.0000476600000000, 0.0000821800000000, 0.0000474100000000 ] - [ -0.0006893400000000, 0.0001241600000000, 0.0001238800000000 ] - [ -0.0002043000000000, -0.0000474900000000, 0.0000217200000000 ] - [ -0.0000214900000000, -0.0001940600000000, 0.0000281500000000 ] - [ 0.0000484700000000, 0.0002086300000000, 0.0000197300000000 ] - [ 0.0002133400000000, 0.0000368800000000, 0.0000130900000000 ] - [ 0.0002215800000000, 0.0000413900000000, 0.0000291200000000 ] - [ 0.0000000800000000, 0.0002448600000000, 0.0000273000000000 ] - [ -0.0000214700000000, -0.0002661800000000, 0.0000093500000000 ] - [ -0.0002317900000000, -0.0000522500000000, 0.0000364300000000 ] - [ 0.0001116700000000, 0.0000867800000000, 0.0000220800000000 ] - [ -0.0001084000000000, 0.0000793800000000, 0.0000284100000000 ] - [ 0.0000926300000000, -0.0001038200000000, 0.0000424600000000 ] - [ -0.0000935900000000, -0.0001615100000000, 0.0000324500000000 ] - [ -0.0001222000000000, -0.0000983400000000, 0.0000467100000000 ] - [ 0.0001524900000000, 0.0000308600000000, -0.0001486500000000 ] - [ -0.0001538600000000, -0.0001970000000000, -0.0005491800000000 ] - [ 0.0001152900000000, 0.0001174000000000, 0.0000250100000000 ] - [ 0.0159229100000000, -0.0527338500000000, 0.0193722900000000 ] - [ 0.0003577300000000, 0.0001724000000000, -0.0000456900000000 ] - [ -0.0005439900000000, -0.0002573600000000, -0.0000527000000000 ] - [ 0.0002387700000000, 0.0006841800000000, -0.0001557700000000 ] - [ -0.0000494200000000, -0.0002272000000000, 0.0001102900000000 ] - [ -0.0006526100000000, 0.0002831600000000, 0.0000691200000000 ] - [ 0.0000866400000000, 0.0001868500000000, 0.0001231300000000 ] - [ -0.0165993400000000, 0.0288322000000000, -0.0007438600000000 ] - [ -0.0002609100000000, 0.0003582800000000, 0.0000058500000000 ] - [ -0.0053965000000000, 0.0002519100000000, -0.0043124600000000 ] - [ 0.0054650400000000, 0.0168412000000000, -0.0160736800000000 ] - [ -0.0001174600000000, -0.0002589900000000, -0.0000947300000000 ] - [ 0.0003093500000000, 0.0004961400000000, -0.0000106700000000 ] - [ 0.0003776100000000, 0.0000818200000000, -0.0002606200000000 ] - [ -0.0003636400000000, 0.0002135400000000, -0.0000410000000000 ] - [ 0.0000790800000000, -0.0003980200000000, 0.0001194100000000 ] - [ 0.0001724300000000, -0.0003872600000000, -0.0001041000000000 ] - [ 0.0005410700000000, 0.0001612100000000, 0.0001260100000000 ] - [ -0.0003546100000000, 0.0001394400000000, -0.0003127900000000 ] - [ 0.0002009600000000, 0.0004183100000000, 0.0000421200000000 ] - [ -0.0001876600000000, -0.0005180500000000, 0.0000179400000000 ] - [ -0.0004564500000000, 0.0003239800000000, -0.0000112700000000 ] - [ 0.0004191800000000, -0.0001996400000000, 0.0000726800000000 ] - [ -0.0001608900000000, 0.0003657500000000, -0.0001068700000000 ] - [ -0.0002988200000000, -0.0001572500000000, 0.0004876800000000 ] - [ -0.0004035100000000, -0.0001667400000000, 0.0000611200000000 ] - [ 0.0004031500000000, 0.0001533300000000, 0.0000673300000000 ] - [ -0.0001392300000000, -0.0004327500000000, -0.0000739400000000 ] - [ 0.0001095700000000, 0.0004118000000000, -0.0001621900000000 ] - [ 0.0003794900000000, -0.0001938200000000, -0.0001758100000000 ] - [ -0.0003629400000000, 0.0001820400000000, -0.0001032500000000 ] - [ 0.0002149200000000, -0.0002211200000000, 0.0000862400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000387100000000, -0.0000368100000000, -0.0000426900000000 ] - [ -0.0006073900000000, -0.0002246600000000, 0.0003457000000000 ] - [ -0.0012875400000000, -0.0016267500000000, -0.0006812500000000 ] - [ 0.0000817400000000, 0.0000061900000000, -0.0000716200000000 ] - [ 0.0007256600000000, -0.0005954500000000, -0.0013459800000000 ] - [ 0.0016574300000000, -0.0016758600000000, 0.0007871900000000 ] - [ -0.0003549200000000, 0.0000689300000000, 0.0003381200000000 ] - [ -0.0004958000000000, 0.0002521300000000, -0.0005582500000000 ] - [ 0.0000711800000000, 0.0000474700000000, -0.0001511800000000 ] - [ 0.0003876500000000, 0.0005263300000000, 0.0002392300000000 ] - [ -0.0013936600000000, -0.0023167400000000, -0.0007223600000000 ] - [ 0.0000248900000000, -0.0001904200000000, -0.0005051900000000 ] - [ -0.0007084600000000, -0.0003357800000000, 0.0001000000000000 ] - [ 0.0001065700000000, -0.0000672700000000, 0.0000378700000000 ] - [ -0.0001589000000000, 0.0001233400000000, -0.0000468500000000 ] - [ 0.0008826900000000, 0.0000803600000000, -0.0001165300000000 ] - [ -0.0002373900000000, 0.0000452500000000, -0.0000213600000000 ] - [ 0.0000215500000000, -0.0002501600000000, -0.0000281900000000 ] - [ -0.0000471400000000, 0.0002303700000000, -0.0000199700000000 ] - [ 0.0002301100000000, -0.0000392500000000, -0.0000126700000000 ] - [ 0.0002207400000000, -0.0000439400000000, -0.0000291700000000 ] - [ 0.0000007300000000, 0.0001955700000000, -0.0000275700000000 ] - [ 0.0000217100000000, -0.0001792100000000, -0.0000099000000000 ] - [ -0.0002096200000000, 0.0000495500000000, -0.0000368300000000 ] - [ 0.0000972900000000, 0.0001194100000000, -0.0000226900000000 ] - [ -0.0000989800000000, 0.0001260300000000, -0.0000291200000000 ] - [ 0.0001159300000000, -0.0001065400000000, -0.0000427500000000 ] - [ -0.0001142400000000, -0.0000486300000000, -0.0000330200000000 ] - [ -0.0000849200000000, -0.0001127100000000, -0.0000464800000000 ] - [ 0.0000535100000000, -0.0002385200000000, 0.0001523000000000 ] - [ -0.0000523500000000, 0.0004012600000000, 0.0005369500000000 ] - [ 0.0000934000000000, 0.0000883000000000, -0.0000244100000000 ] - [ -0.0152692400000000, 0.0511567700000000, -0.0190600700000000 ] - [ 0.0004291700000000, 0.0001531400000000, -0.0001208400000000 ] - [ -0.0002426700000000, -0.0000738400000000, -0.0001160800000000 ] - [ 0.0000901900000000, 0.0000977700000000, 0.0003227200000000 ] - [ -0.0002781400000000, -0.0005602200000000, 0.0000568800000000 ] - [ -0.0001349200000000, 0.0000451300000000, 0.0000998800000000 ] - [ 0.0007030400000000, -0.0005176900000000, 0.0000443400000000 ] - [ 0.0157434500000000, -0.0272940000000000, 0.0005440300000000 ] - [ -0.0000675800000000, 0.0004244800000000, 0.0001608400000000 ] - [ 0.0046505800000000, -0.0006386000000000, 0.0045141500000000 ] - [ -0.0045828100000000, -0.0162126600000000, 0.0157989200000000 ] - [ -0.0002100800000000, -0.0005272200000000, -0.0000763500000000 ] - [ 0.0000189600000000, 0.0002868700000000, -0.0001600400000000 ] - [ 0.0004066600000000, -0.0004114000000000, 0.0000896200000000 ] - [ -0.0004200600000000, 0.0001100000000000, -0.0001293900000000 ] - [ 0.0002470400000000, -0.0003878700000000, 0.0000511900000000 ] - [ 0.0001554900000000, -0.0003993200000000, -0.0000663600000000 ] - [ 0.0002412900000000, 0.0001632200000000, -0.0002973300000000 ] - [ -0.0004284600000000, -0.0004754200000000, 0.0001448600000000 ] - [ 0.0001302300000000, 0.0003644400000000, 0.0001248800000000 ] - [ -0.0001378400000000, -0.0002680400000000, 0.0001528400000000 ] - [ -0.0003302200000000, 0.0000029400000000, 0.0001783300000000 ] - [ 0.0003667200000000, -0.0001319500000000, 0.0000964400000000 ] - [ -0.0001668400000000, 0.0004144300000000, -0.0000640100000000 ] - [ -0.0000247800000000, 0.0009479700000000, -0.0003286500000000 ] - [ -0.0003805200000000, -0.0001639900000000, 0.0001068800000000 ] - [ 0.0003796100000000, 0.0001713300000000, 0.0001022000000000 ] - [ -0.0001901600000000, -0.0003570300000000, -0.0000946300000000 ] - [ 0.0002191900000000, 0.0003713400000000, -0.0000066400000000 ] - [ 0.0004076500000000, -0.0001372000000000, 0.0000057600000000 ] - [ -0.0004190100000000, 0.0001425000000000, -0.0000695100000000 ] - [ 0.0001138400000000, -0.0005676900000000, 0.0000838000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000105600000000, 0.0001540200000000, 0.0001831200000000 ] - [ -0.0014153400000000, -0.0004715900000000, 0.0004124500000000 ] - [ 0.0010222000000000, 0.0013260900000000, 0.0006149800000000 ] - [ 0.0000906900000000, -0.0002552500000000, 0.0001848800000000 ] - [ -0.0002285900000000, 0.0007884900000000, 0.0022390200000000 ] - [ 0.0007975600000000, -0.0006862800000000, 0.0005007200000000 ] - [ -0.0000292100000000, -0.0001211000000000, 0.0001512900000000 ] - [ -0.0005152100000000, 0.0005774700000000, 0.0001852100000000 ] - [ 0.0001958500000000, -0.0002180500000000, -0.0002717400000000 ] - [ -0.0000007800000000, 0.0003237900000000, 0.0003247600000000 ] - [ 0.0002592000000000, 0.0000651800000000, 0.0002019500000000 ] - [ 0.0000635300000000, -0.0001199400000000, -0.0003228700000000 ] - [ -0.0003750600000000, -0.0000301200000000, 0.0003462900000000 ] - [ 0.0001459400000000, -0.0001442000000000, 0.0000060600000000 ] - [ -0.0001294100000000, 0.0001816200000000, -0.0000209800000000 ] - [ -0.0004249600000000, 0.0002084500000000, 0.0002658300000000 ] - [ -0.0001875500000000, 0.0000287800000000, -0.0000966500000000 ] - [ 0.0000234200000000, -0.0001721300000000, -0.0000956100000000 ] - [ -0.0000515300000000, 0.0001942900000000, -0.0000809900000000 ] - [ 0.0002210900000000, 0.0000096100000000, -0.0000563400000000 ] - [ 0.0002103700000000, -0.0000503500000000, -0.0000638700000000 ] - [ 0.0000475900000000, 0.0002458400000000, -0.0001533700000000 ] - [ -0.0000168000000000, -0.0002627200000000, -0.0000993100000000 ] - [ -0.0002609800000000, 0.0000792200000000, -0.0001104800000000 ] - [ 0.0000800600000000, 0.0000367400000000, -0.0000647900000000 ] - [ -0.0000805500000000, 0.0001327200000000, -0.0001178900000000 ] - [ 0.0001175000000000, -0.0001079200000000, -0.0001481800000000 ] - [ -0.0000868400000000, -0.0000556300000000, -0.0000583300000000 ] - [ -0.0001001500000000, -0.0001039000000000, -0.0001003500000000 ] - [ 0.0002548600000000, -0.0003723700000000, -0.0002931600000000 ] - [ 0.0010170600000000, -0.0000909100000000, 0.0048062800000000 ] - [ 0.0001243500000000, 0.0000836000000000, -0.0000720200000000 ] - [ -0.0126894200000000, 0.0186141700000000, -0.0439215700000000 ] - [ 0.0006208400000000, 0.0001925900000000, 0.0003204800000000 ] - [ -0.0001806600000000, -0.0002621100000000, 0.0000066600000000 ] - [ 0.0001592200000000, 0.0001518300000000, 0.0001254400000000 ] - [ -0.0003041500000000, -0.0004188100000000, -0.0000623900000000 ] - [ -0.0003765700000000, 0.0001843400000000, 0.0000060400000000 ] - [ 0.0004341400000000, -0.0001767000000000, 0.0000183400000000 ] - [ -0.0004982300000000, 0.0009893200000000, -0.0027398200000000 ] - [ 0.0002237300000000, 0.0003138300000000, 0.0000949600000000 ] - [ 0.0153229600000000, -0.0045814700000000, 0.0185116700000000 ] - [ -0.0039675300000000, -0.0155025900000000, 0.0185118300000000 ] - [ -0.0001451200000000, -0.0004022800000000, -0.0001161900000000 ] - [ 0.0001227700000000, 0.0003184500000000, -0.0002012200000000 ] - [ 0.0004833800000000, -0.0002564200000000, 0.0001554800000000 ] - [ -0.0004084300000000, 0.0000543600000000, -0.0000492700000000 ] - [ 0.0000147200000000, -0.0004253500000000, -0.0001144200000000 ] - [ 0.0001895600000000, -0.0004119600000000, -0.0000248800000000 ] - [ 0.0003585300000000, 0.0000892800000000, 0.0000042600000000 ] - [ -0.0003530900000000, -0.0003978900000000, 0.0003224400000000 ] - [ 0.0001635300000000, 0.0003501800000000, 0.0000632700000000 ] - [ -0.0001329800000000, -0.0003256000000000, 0.0002081400000000 ] - [ -0.0002956800000000, 0.0000871400000000, 0.0003773800000000 ] - [ 0.0003787500000000, -0.0001319800000000, 0.0002555500000000 ] - [ -0.0001919500000000, 0.0004128600000000, -0.0000352300000000 ] - [ -0.0000577700000000, 0.0008038100000000, -0.0004266800000000 ] - [ -0.0003741400000000, -0.0001187100000000, 0.0001581800000000 ] - [ 0.0003690000000000, 0.0001260800000000, 0.0001589600000000 ] - [ -0.0002612200000000, -0.0003815200000000, -0.0000385800000000 ] - [ 0.0002239000000000, 0.0004685100000000, 0.0000999900000000 ] - [ 0.0005681800000000, -0.0002247700000000, 0.0001558600000000 ] - [ -0.0003466300000000, 0.0000802400000000, -0.0000511200000000 ] - [ 0.0001714900000000, -0.0003922900000000, 0.0000305400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004561800000000, -0.0001543200000000, -0.0001852100000000 ] - [ 0.0014021000000000, 0.0000242200000000, -0.0004085900000000 ] - [ -0.0010120800000000, -0.0008688400000000, -0.0006107300000000 ] - [ 0.0003550100000000, 0.0002549000000000, -0.0001872900000000 ] - [ 0.0006963800000000, -0.0008284700000000, -0.0023037200000000 ] - [ -0.0007917800000000, 0.0011246900000000, -0.0005079500000000 ] - [ 0.0000287500000000, -0.0003231800000000, -0.0001517700000000 ] - [ 0.0000689100000000, -0.0005759800000000, -0.0001871400000000 ] - [ 0.0000077000000000, 0.0004222100000000, 0.0002684400000000 ] - [ -0.0002030500000000, -0.0001211600000000, -0.0003270100000000 ] - [ -0.0000493300000000, -0.0002663100000000, -0.0001953300000000 ] - [ -0.0002675200000000, -0.0000836000000000, 0.0003198900000000 ] - [ 0.0001737100000000, -0.0001745000000000, -0.0003487900000000 ] - [ 0.0000590500000000, -0.0000606900000000, -0.0000069100000000 ] - [ -0.0000740500000000, 0.0000219600000000, 0.0000205700000000 ] - [ 0.0006247600000000, -0.0000089600000000, -0.0002570700000000 ] - [ -0.0002572800000000, -0.0000279000000000, 0.0000952100000000 ] - [ -0.0000227400000000, -0.0002746800000000, 0.0000949700000000 ] - [ 0.0000524400000000, 0.0002513300000000, 0.0000801000000000 ] - [ 0.0002248800000000, -0.0000114100000000, 0.0000552000000000 ] - [ 0.0002362800000000, 0.0000495400000000, 0.0000631700000000 ] - [ -0.0000463300000000, 0.0001992400000000, 0.0001527400000000 ] - [ 0.0000169900000000, -0.0001834900000000, 0.0000987000000000 ] - [ -0.0001842900000000, -0.0000791800000000, 0.0001096300000000 ] - [ 0.0001252200000000, 0.0001671100000000, 0.0000643300000000 ] - [ -0.0001227500000000, 0.0000712400000000, 0.0001169500000000 ] - [ 0.0000874500000000, -0.0000970700000000, 0.0001474100000000 ] - [ -0.0001167500000000, -0.0001489900000000, 0.0000576300000000 ] - [ -0.0001035300000000, -0.0001009800000000, 0.0001000300000000 ] - [ -0.0000478100000000, 0.0001644500000000, 0.0002933600000000 ] - [ -0.0011890800000000, 0.0002905100000000, -0.0046609200000000 ] - [ 0.0000806900000000, 0.0001195700000000, 0.0000718100000000 ] - [ 0.0132116800000000, -0.0198348900000000, 0.0443724600000000 ] - [ 0.0001723200000000, 0.0001377300000000, -0.0004852100000000 ] - [ -0.0006148300000000, -0.0000707300000000, -0.0001709100000000 ] - [ 0.0001696600000000, 0.0006388700000000, 0.0000426700000000 ] - [ -0.0000243400000000, -0.0003756600000000, 0.0002279200000000 ] - [ -0.0004189600000000, 0.0001463500000000, 0.0001555800000000 ] - [ 0.0003678900000000, -0.0001546300000000, 0.0001430700000000 ] - [ 0.0002291800000000, -0.0002852700000000, 0.0026036700000000 ] - [ -0.0005557800000000, 0.0004785500000000, 0.0000688100000000 ] - [ -0.0165606600000000, 0.0043856700000000, -0.0186866500000000 ] - [ 0.0048681300000000, 0.0162868800000000, -0.0186858600000000 ] - [ -0.0001826100000000, -0.0003936400000000, -0.0000522300000000 ] - [ 0.0002086000000000, 0.0004808800000000, 0.0000359000000000 ] - [ 0.0003097900000000, -0.0000755500000000, -0.0003224700000000 ] - [ -0.0003831600000000, 0.0002745100000000, -0.0001176500000000 ] - [ 0.0003156300000000, -0.0003653100000000, 0.0002811900000000 ] - [ 0.0001406900000000, -0.0003817100000000, -0.0001419700000000 ] - [ 0.0004356500000000, 0.0002366800000000, -0.0001729500000000 ] - [ -0.0004433600000000, 0.0000650700000000, -0.0004813400000000 ] - [ 0.0001690100000000, 0.0004402100000000, 0.0001009900000000 ] - [ -0.0001988300000000, -0.0004656200000000, -0.0000453700000000 ] - [ -0.0004949000000000, 0.0002417300000000, -0.0002122300000000 ] - [ 0.0004121500000000, -0.0001988500000000, -0.0000913900000000 ] - [ -0.0001381200000000, 0.0003773300000000, -0.0001322700000000 ] - [ -0.0002737300000000, 0.0000046100000000, 0.0005789000000000 ] - [ -0.0004184300000000, -0.0002134100000000, 0.0000068700000000 ] - [ 0.0004220600000000, 0.0002031300000000, 0.0000078500000000 ] - [ -0.0000709300000000, -0.0004124100000000, -0.0001261100000000 ] - [ 0.0001065000000000, 0.0003212700000000, -0.0002655000000000 ] - [ 0.0002260400000000, -0.0001065900000000, -0.0003198500000000 ] - [ -0.0004420500000000, 0.0002482500000000, -0.0001173300000000 ] - [ 0.0001599700000000, -0.0004047000000000, 0.0001297200000000 ]