# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fadc9c6e-4294-496d-8870-0b35e4dde30d/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 Cs4SiSe4 / P-43n (218) / materials id 29834](https://mdr.nims.go.jp/datasets/e901f016-f7f1-4338-b752-742220457acf) ## 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: "P-43n" number: 218 Hall_symbol: "P -4n 2 3"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 14.103287150000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.103287150000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.103287150000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 28.085500 - symbol: Si # 2 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 28.085500 - symbol: Si # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 5 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 - symbol: Si # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 - symbol: Se # 9 coordinates: [ 0.100380290000000, 0.160628470000000, 0.591901610000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.339371530000000, 0.600380290000000, 0.908098390000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.399619710000000, 0.091901610000000, 0.339371530000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.600380290000000, 0.091901610000000, 0.660628470000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.091901610000000, 0.339371530000000, 0.399619710000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.908098390000000, 0.660628470000000, 0.399619710000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.160628470000000, 0.408098390000000, 0.899619710000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.160628470000000, 0.591901610000000, 0.100380290000000 ] mass: 78.960000 - symbol: Se # 17 coordinates: [ 0.839371530000000, 0.408098390000000, 0.100380290000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.593787690000000, 0.593787690000000, 0.593787690000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.100380290000000, 0.839371530000000, 0.408098390000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.339371530000000, 0.399619710000000, 0.091901610000000 ] mass: 78.960000 - symbol: Se # 21 coordinates: [ 0.408098390000000, 0.899619710000000, 0.160628470000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.899619710000000, 0.160628470000000, 0.408098390000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.408098390000000, 0.100380290000000, 0.839371530000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.591901610000000, 0.899619710000000, 0.839371530000000 ] mass: 78.960000 - symbol: Se # 25 coordinates: [ 0.899619710000000, 0.839371530000000, 0.591901610000000 ] mass: 78.960000 - symbol: Se # 26 coordinates: [ 0.908098390000000, 0.339371530000000, 0.600380290000000 ] mass: 78.960000 - symbol: Se # 27 coordinates: [ 0.091901610000000, 0.660628470000000, 0.600380290000000 ] mass: 78.960000 - symbol: Se # 28 coordinates: [ 0.399619710000000, 0.908098390000000, 0.660628470000000 ] mass: 78.960000 - symbol: Se # 29 coordinates: [ 0.600380290000000, 0.908098390000000, 0.339371530000000 ] mass: 78.960000 - symbol: Se # 30 coordinates: [ 0.660628470000000, 0.600380290000000, 0.091901610000000 ] mass: 78.960000 - symbol: Se # 31 coordinates: [ 0.660628470000000, 0.399619710000000, 0.908098390000000 ] mass: 78.960000 - symbol: Se # 32 coordinates: [ 0.839371530000000, 0.591901610000000, 0.899619710000000 ] mass: 78.960000 - symbol: Se # 33 coordinates: [ 0.906212310000000, 0.093787690000000, 0.906212310000000 ] mass: 78.960000 - symbol: Se # 34 coordinates: [ 0.906212310000000, 0.906212310000000, 0.093787690000000 ] mass: 78.960000 - symbol: Se # 35 coordinates: [ 0.093787690000000, 0.906212310000000, 0.906212310000000 ] mass: 78.960000 - symbol: Se # 36 coordinates: [ 0.406212310000000, 0.406212310000000, 0.593787690000000 ] mass: 78.960000 - symbol: Se # 37 coordinates: [ 0.593787690000000, 0.406212310000000, 0.406212310000000 ] mass: 78.960000 - symbol: Se # 38 coordinates: [ 0.406212310000000, 0.593787690000000, 0.406212310000000 ] mass: 78.960000 - symbol: Se # 39 coordinates: [ 0.093787690000000, 0.093787690000000, 0.093787690000000 ] mass: 78.960000 - symbol: Se # 40 coordinates: [ 0.591901610000000, 0.100380290000000, 0.160628470000000 ] mass: 78.960000 - symbol: Cs # 41 coordinates: [ 0.347492430000000, 0.347492430000000, 0.347492430000000 ] mass: 132.905452 - symbol: Cs # 42 coordinates: [ 0.152507570000000, 0.847492430000000, 0.152507570000000 ] mass: 132.905452 - symbol: Cs # 43 coordinates: [ 0.847492430000000, 0.152507570000000, 0.152507570000000 ] mass: 132.905452 - symbol: Cs # 44 coordinates: [ 0.152507570000000, 0.152507570000000, 0.847492430000000 ] mass: 132.905452 - symbol: Cs # 45 coordinates: [ 0.347492430000000, 0.652507570000000, 0.652507570000000 ] mass: 132.905452 - symbol: Cs # 46 coordinates: [ 0.652507570000000, 0.652507570000000, 0.347492430000000 ] mass: 132.905452 - symbol: Cs # 47 coordinates: [ 0.652507570000000, 0.347492430000000, 0.652507570000000 ] mass: 132.905452 - symbol: Cs # 48 coordinates: [ 0.847492430000000, 0.847492430000000, 0.847492430000000 ] mass: 132.905452 - symbol: Cs # 49 coordinates: [ 0.348360220000000, 0.136971230000000, 0.084468270000000 ] mass: 132.905452 - symbol: Cs # 50 coordinates: [ 0.348360220000000, 0.863028770000000, 0.915531730000000 ] mass: 132.905452 - symbol: Cs # 51 coordinates: [ 0.136971230000000, 0.084468270000000, 0.348360220000000 ] mass: 132.905452 - symbol: Cs # 52 coordinates: [ 0.863028770000000, 0.084468270000000, 0.651639780000000 ] mass: 132.905452 - symbol: Cs # 53 coordinates: [ 0.084468270000000, 0.348360220000000, 0.136971230000000 ] mass: 132.905452 - symbol: Cs # 54 coordinates: [ 0.915531730000000, 0.651639780000000, 0.136971230000000 ] mass: 132.905452 - symbol: Cs # 55 coordinates: [ 0.151639780000000, 0.415531730000000, 0.636971230000000 ] mass: 132.905452 - symbol: Cs # 56 coordinates: [ 0.151639780000000, 0.584468270000000, 0.363028770000000 ] mass: 132.905452 - symbol: Cs # 57 coordinates: [ 0.848360220000000, 0.415531730000000, 0.363028770000000 ] mass: 132.905452 - symbol: Cs # 58 coordinates: [ 0.584468270000000, 0.363028770000000, 0.151639780000000 ] mass: 132.905452 - symbol: Cs # 59 coordinates: [ 0.363028770000000, 0.848360220000000, 0.415531730000000 ] mass: 132.905452 - symbol: Cs # 60 coordinates: [ 0.363028770000000, 0.151639780000000, 0.584468270000000 ] mass: 132.905452 - symbol: Cs # 61 coordinates: [ 0.415531730000000, 0.636971230000000, 0.151639780000000 ] mass: 132.905452 - symbol: Cs # 62 coordinates: [ 0.636971230000000, 0.151639780000000, 0.415531730000000 ] mass: 132.905452 - symbol: Cs # 63 coordinates: [ 0.415531730000000, 0.363028770000000, 0.848360220000000 ] mass: 132.905452 - symbol: Cs # 64 coordinates: [ 0.584468270000000, 0.636971230000000, 0.848360220000000 ] mass: 132.905452 - symbol: Cs # 65 coordinates: [ 0.636971230000000, 0.848360220000000, 0.584468270000000 ] mass: 132.905452 - symbol: Cs # 66 coordinates: [ 0.915531730000000, 0.348360220000000, 0.863028770000000 ] mass: 132.905452 - symbol: Cs # 67 coordinates: [ 0.084468270000000, 0.651639780000000, 0.863028770000000 ] mass: 132.905452 - symbol: Cs # 68 coordinates: [ 0.136971230000000, 0.915531730000000, 0.651639780000000 ] mass: 132.905452 - symbol: Cs # 69 coordinates: [ 0.863028770000000, 0.915531730000000, 0.348360220000000 ] mass: 132.905452 - symbol: Cs # 70 coordinates: [ 0.651639780000000, 0.863028770000000, 0.084468270000000 ] mass: 132.905452 - symbol: Cs # 71 coordinates: [ 0.651639780000000, 0.136971230000000, 0.915531730000000 ] mass: 132.905452 - symbol: Cs # 72 coordinates: [ 0.848360220000000, 0.584468270000000, 0.636971230000000 ] mass: 132.905452 reciprocal_lattice: # without 2pi - [ 0.070905455541264, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.070905455541264, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.070905455541264 ] # c*unit_cell: lattice: - [ 14.103287150000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.103287150000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.103287150000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.100380290000000, 0.160628470000000, 0.591901610000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.339371530000000, 0.600380290000000, 0.908098390000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.399619710000000, 0.091901610000000, 0.339371530000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.600380290000000, 0.091901610000000, 0.660628470000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.091901610000000, 0.339371530000000, 0.399619710000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.908098390000000, 0.660628470000000, 0.399619710000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.160628470000000, 0.408098390000000, 0.899619710000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.160628470000000, 0.591901610000000, 0.100380290000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.839371530000000, 0.408098390000000, 0.100380290000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.593787690000000, 0.593787690000000, 0.593787690000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.100380290000000, 0.839371530000000, 0.408098390000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.339371530000000, 0.399619710000000, 0.091901610000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.408098390000000, 0.899619710000000, 0.160628470000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.899619710000000, 0.160628470000000, 0.408098390000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.408098390000000, 0.100380290000000, 0.839371530000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.591901610000000, 0.899619710000000, 0.839371530000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.899619710000000, 0.839371530000000, 0.591901610000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.908098390000000, 0.339371530000000, 0.600380290000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.091901610000000, 0.660628470000000, 0.600380290000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.399619710000000, 0.908098390000000, 0.660628470000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.600380290000000, 0.908098390000000, 0.339371530000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.660628470000000, 0.600380290000000, 0.091901610000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.660628470000000, 0.399619710000000, 0.908098390000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.839371530000000, 0.591901610000000, 0.899619710000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.906212310000000, 0.093787690000000, 0.906212310000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.906212310000000, 0.906212310000000, 0.093787690000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.093787690000000, 0.906212310000000, 0.906212310000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.406212310000000, 0.406212310000000, 0.593787690000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.593787690000000, 0.406212310000000, 0.406212310000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.406212310000000, 0.593787690000000, 0.406212310000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.093787690000000, 0.093787690000000, 0.093787690000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.591901610000000, 0.100380290000000, 0.160628470000000 ] mass: 78.960000 reduced_to: 40 - symbol: Cs # 41 coordinates: [ 0.347492430000000, 0.347492430000000, 0.347492430000000 ] mass: 132.905452 reduced_to: 41 - symbol: Cs # 42 coordinates: [ 0.152507570000000, 0.847492430000000, 0.152507570000000 ] mass: 132.905452 reduced_to: 42 - symbol: Cs # 43 coordinates: [ 0.847492430000000, 0.152507570000000, 0.152507570000000 ] mass: 132.905452 reduced_to: 43 - symbol: Cs # 44 coordinates: [ 0.152507570000000, 0.152507570000000, 0.847492430000000 ] mass: 132.905452 reduced_to: 44 - symbol: Cs # 45 coordinates: [ 0.347492430000000, 0.652507570000000, 0.652507570000000 ] mass: 132.905452 reduced_to: 45 - symbol: Cs # 46 coordinates: [ 0.652507570000000, 0.652507570000000, 0.347492430000000 ] mass: 132.905452 reduced_to: 46 - symbol: Cs # 47 coordinates: [ 0.652507570000000, 0.347492430000000, 0.652507570000000 ] mass: 132.905452 reduced_to: 47 - symbol: Cs # 48 coordinates: [ 0.847492430000000, 0.847492430000000, 0.847492430000000 ] mass: 132.905452 reduced_to: 48 - symbol: Cs # 49 coordinates: [ 0.348360220000000, 0.136971230000000, 0.084468270000000 ] mass: 132.905452 reduced_to: 49 - symbol: Cs # 50 coordinates: [ 0.348360220000000, 0.863028770000000, 0.915531730000000 ] mass: 132.905452 reduced_to: 50 - symbol: Cs # 51 coordinates: [ 0.136971230000000, 0.084468270000000, 0.348360220000000 ] mass: 132.905452 reduced_to: 51 - symbol: Cs # 52 coordinates: [ 0.863028770000000, 0.084468270000000, 0.651639780000000 ] mass: 132.905452 reduced_to: 52 - symbol: Cs # 53 coordinates: [ 0.084468270000000, 0.348360220000000, 0.136971230000000 ] mass: 132.905452 reduced_to: 53 - symbol: Cs # 54 coordinates: [ 0.915531730000000, 0.651639780000000, 0.136971230000000 ] mass: 132.905452 reduced_to: 54 - symbol: Cs # 55 coordinates: [ 0.151639780000000, 0.415531730000000, 0.636971230000000 ] mass: 132.905452 reduced_to: 55 - symbol: Cs # 56 coordinates: [ 0.151639780000000, 0.584468270000000, 0.363028770000000 ] mass: 132.905452 reduced_to: 56 - symbol: Cs # 57 coordinates: [ 0.848360220000000, 0.415531730000000, 0.363028770000000 ] mass: 132.905452 reduced_to: 57 - symbol: Cs # 58 coordinates: [ 0.584468270000000, 0.363028770000000, 0.151639780000000 ] mass: 132.905452 reduced_to: 58 - symbol: Cs # 59 coordinates: [ 0.363028770000000, 0.848360220000000, 0.415531730000000 ] mass: 132.905452 reduced_to: 59 - symbol: Cs # 60 coordinates: [ 0.363028770000000, 0.151639780000000, 0.584468270000000 ] mass: 132.905452 reduced_to: 60 - symbol: Cs # 61 coordinates: [ 0.415531730000000, 0.636971230000000, 0.151639780000000 ] mass: 132.905452 reduced_to: 61 - symbol: Cs # 62 coordinates: [ 0.636971230000000, 0.151639780000000, 0.415531730000000 ] mass: 132.905452 reduced_to: 62 - symbol: Cs # 63 coordinates: [ 0.415531730000000, 0.363028770000000, 0.848360220000000 ] mass: 132.905452 reduced_to: 63 - symbol: Cs # 64 coordinates: [ 0.584468270000000, 0.636971230000000, 0.848360220000000 ] mass: 132.905452 reduced_to: 64 - symbol: Cs # 65 coordinates: [ 0.636971230000000, 0.848360220000000, 0.584468270000000 ] mass: 132.905452 reduced_to: 65 - symbol: Cs # 66 coordinates: [ 0.915531730000000, 0.348360220000000, 0.863028770000000 ] mass: 132.905452 reduced_to: 66 - symbol: Cs # 67 coordinates: [ 0.084468270000000, 0.651639780000000, 0.863028770000000 ] mass: 132.905452 reduced_to: 67 - symbol: Cs # 68 coordinates: [ 0.136971230000000, 0.915531730000000, 0.651639780000000 ] mass: 132.905452 reduced_to: 68 - symbol: Cs # 69 coordinates: [ 0.863028770000000, 0.915531730000000, 0.348360220000000 ] mass: 132.905452 reduced_to: 69 - symbol: Cs # 70 coordinates: [ 0.651639780000000, 0.863028770000000, 0.084468270000000 ] mass: 132.905452 reduced_to: 70 - symbol: Cs # 71 coordinates: [ 0.651639780000000, 0.136971230000000, 0.915531730000000 ] mass: 132.905452 reduced_to: 71 - symbol: Cs # 72 coordinates: [ 0.848360220000000, 0.584468270000000, 0.636971230000000 ] mass: 132.905452 reduced_to: 72supercell: lattice: - [ 14.103287150000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.103287150000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.103287150000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.100380290000000, 0.160628470000000, 0.591901610000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.339371530000000, 0.600380290000000, 0.908098390000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.399619710000000, 0.091901610000000, 0.339371530000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.600380290000000, 0.091901610000000, 0.660628470000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.091901610000000, 0.339371530000000, 0.399619710000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.908098390000000, 0.660628470000000, 0.399619710000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.160628470000000, 0.408098390000000, 0.899619710000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.160628470000000, 0.591901610000000, 0.100380290000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.839371530000000, 0.408098390000000, 0.100380290000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.593787690000000, 0.593787690000000, 0.593787690000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.100380290000000, 0.839371530000000, 0.408098390000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.339371530000000, 0.399619710000000, 0.091901610000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.408098390000000, 0.899619710000000, 0.160628470000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.899619710000000, 0.160628470000000, 0.408098390000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.408098390000000, 0.100380290000000, 0.839371530000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.591901610000000, 0.899619710000000, 0.839371530000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.899619710000000, 0.839371530000000, 0.591901610000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.908098390000000, 0.339371530000000, 0.600380290000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.091901610000000, 0.660628470000000, 0.600380290000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.399619710000000, 0.908098390000000, 0.660628470000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.600380290000000, 0.908098390000000, 0.339371530000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.660628470000000, 0.600380290000000, 0.091901610000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.660628470000000, 0.399619710000000, 0.908098390000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.839371530000000, 0.591901610000000, 0.899619710000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.906212310000000, 0.093787690000000, 0.906212310000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.906212310000000, 0.906212310000000, 0.093787690000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.093787690000000, 0.906212310000000, 0.906212310000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.406212310000000, 0.406212310000000, 0.593787690000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.593787690000000, 0.406212310000000, 0.406212310000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.406212310000000, 0.593787690000000, 0.406212310000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.093787690000000, 0.093787690000000, 0.093787690000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.591901610000000, 0.100380290000000, 0.160628470000000 ] mass: 78.960000 reduced_to: 40 - symbol: Cs # 41 coordinates: [ 0.347492430000000, 0.347492430000000, 0.347492430000000 ] mass: 132.905452 reduced_to: 41 - symbol: Cs # 42 coordinates: [ 0.152507570000000, 0.847492430000000, 0.152507570000000 ] mass: 132.905452 reduced_to: 42 - symbol: Cs # 43 coordinates: [ 0.847492430000000, 0.152507570000000, 0.152507570000000 ] mass: 132.905452 reduced_to: 43 - symbol: Cs # 44 coordinates: [ 0.152507570000000, 0.152507570000000, 0.847492430000000 ] mass: 132.905452 reduced_to: 44 - symbol: Cs # 45 coordinates: [ 0.347492430000000, 0.652507570000000, 0.652507570000000 ] mass: 132.905452 reduced_to: 45 - symbol: Cs # 46 coordinates: [ 0.652507570000000, 0.652507570000000, 0.347492430000000 ] mass: 132.905452 reduced_to: 46 - symbol: Cs # 47 coordinates: [ 0.652507570000000, 0.347492430000000, 0.652507570000000 ] mass: 132.905452 reduced_to: 47 - symbol: Cs # 48 coordinates: [ 0.847492430000000, 0.847492430000000, 0.847492430000000 ] mass: 132.905452 reduced_to: 48 - symbol: Cs # 49 coordinates: [ 0.348360220000000, 0.136971230000000, 0.084468270000000 ] mass: 132.905452 reduced_to: 49 - symbol: Cs # 50 coordinates: [ 0.348360220000000, 0.863028770000000, 0.915531730000000 ] mass: 132.905452 reduced_to: 50 - symbol: Cs # 51 coordinates: [ 0.136971230000000, 0.084468270000000, 0.348360220000000 ] mass: 132.905452 reduced_to: 51 - symbol: Cs # 52 coordinates: [ 0.863028770000000, 0.084468270000000, 0.651639780000000 ] mass: 132.905452 reduced_to: 52 - symbol: Cs # 53 coordinates: [ 0.084468270000000, 0.348360220000000, 0.136971230000000 ] mass: 132.905452 reduced_to: 53 - symbol: Cs # 54 coordinates: [ 0.915531730000000, 0.651639780000000, 0.136971230000000 ] mass: 132.905452 reduced_to: 54 - symbol: Cs # 55 coordinates: [ 0.151639780000000, 0.415531730000000, 0.636971230000000 ] mass: 132.905452 reduced_to: 55 - symbol: Cs # 56 coordinates: [ 0.151639780000000, 0.584468270000000, 0.363028770000000 ] mass: 132.905452 reduced_to: 56 - symbol: Cs # 57 coordinates: [ 0.848360220000000, 0.415531730000000, 0.363028770000000 ] mass: 132.905452 reduced_to: 57 - symbol: Cs # 58 coordinates: [ 0.584468270000000, 0.363028770000000, 0.151639780000000 ] mass: 132.905452 reduced_to: 58 - symbol: Cs # 59 coordinates: [ 0.363028770000000, 0.848360220000000, 0.415531730000000 ] mass: 132.905452 reduced_to: 59 - symbol: Cs # 60 coordinates: [ 0.363028770000000, 0.151639780000000, 0.584468270000000 ] mass: 132.905452 reduced_to: 60 - symbol: Cs # 61 coordinates: [ 0.415531730000000, 0.636971230000000, 0.151639780000000 ] mass: 132.905452 reduced_to: 61 - symbol: Cs # 62 coordinates: [ 0.636971230000000, 0.151639780000000, 0.415531730000000 ] mass: 132.905452 reduced_to: 62 - symbol: Cs # 63 coordinates: [ 0.415531730000000, 0.363028770000000, 0.848360220000000 ] mass: 132.905452 reduced_to: 63 - symbol: Cs # 64 coordinates: [ 0.584468270000000, 0.636971230000000, 0.848360220000000 ] mass: 132.905452 reduced_to: 64 - symbol: Cs # 65 coordinates: [ 0.636971230000000, 0.848360220000000, 0.584468270000000 ] mass: 132.905452 reduced_to: 65 - symbol: Cs # 66 coordinates: [ 0.915531730000000, 0.348360220000000, 0.863028770000000 ] mass: 132.905452 reduced_to: 66 - symbol: Cs # 67 coordinates: [ 0.084468270000000, 0.651639780000000, 0.863028770000000 ] mass: 132.905452 reduced_to: 67 - symbol: Cs # 68 coordinates: [ 0.136971230000000, 0.915531730000000, 0.651639780000000 ] mass: 132.905452 reduced_to: 68 - symbol: Cs # 69 coordinates: [ 0.863028770000000, 0.915531730000000, 0.348360220000000 ] mass: 132.905452 reduced_to: 69 - symbol: Cs # 70 coordinates: [ 0.651639780000000, 0.863028770000000, 0.084468270000000 ] mass: 132.905452 reduced_to: 70 - symbol: Cs # 71 coordinates: [ 0.651639780000000, 0.136971230000000, 0.915531730000000 ] mass: 132.905452 reduced_to: 71 - symbol: Cs # 72 coordinates: [ 0.848360220000000, 0.584468270000000, 0.636971230000000 ] mass: 132.905452 reduced_to: 72displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1422829100000000, 0.0001628700000000, -0.0000022400000000 ] - [ -0.0015299300000000, -0.0000000700000000, 0.0000671800000000 ] - [ 0.0010193300000000, 0.0002491800000000, -0.0002418700000000 ] - [ 0.0010213100000000, -0.0002510600000000, -0.0002431800000000 ] - [ 0.0004831500000000, -0.0000217600000000, -0.0002511900000000 ] - [ -0.0014787800000000, -0.0000018600000000, 0.0002643800000000 ] - [ 0.0012840700000000, 0.0000029100000000, -0.0003807900000000 ] - [ 0.0004846600000000, 0.0000227100000000, -0.0002488200000000 ] - [ 0.0364191100000000, -0.0225607100000000, 0.0225818000000000 ] - [ -0.0002764700000000, -0.0001299000000000, 0.0001988900000000 ] - [ -0.0010084400000000, 0.0004589900000000, 0.0004052400000000 ] - [ -0.0009306400000000, -0.0004649200000000, 0.0003927300000000 ] - [ 0.0321451100000000, 0.0204463300000000, -0.0226553200000000 ] - [ 0.0011636400000000, -0.0001083300000000, -0.0000011100000000 ] - [ 0.0000137900000000, -0.0003151400000000, 0.0001706800000000 ] - [ -0.0001710600000000, -0.0002969200000000, 0.0004275500000000 ] - [ 0.0000261200000000, 0.0003214300000000, 0.0002464000000000 ] - [ -0.0008808900000000, -0.0001435300000000, -0.0002900100000000 ] - [ 0.0012219300000000, 0.0001927800000000, 0.0000275700000000 ] - [ -0.0003625800000000, -0.0001439100000000, 0.0002888900000000 ] - [ -0.0004075200000000, -0.0001104800000000, -0.0000931700000000 ] - [ 0.0356715000000000, 0.0217166500000000, 0.0217256900000000 ] - [ -0.0007567700000000, 0.0002900200000000, 0.0000195700000000 ] - [ -0.0004152000000000, 0.0000370100000000, -0.0000841600000000 ] - [ 0.0011497800000000, -0.0001767500000000, 0.0000198200000000 ] - [ 0.0317100200000000, -0.0197750100000000, -0.0218265600000000 ] - [ 0.0011560800000000, 0.0000967900000000, 0.0000726600000000 ] - [ -0.0007864600000000, -0.0000218800000000, -0.0002122800000000 ] - [ -0.0007149700000000, 0.0000296600000000, -0.0002018300000000 ] - [ -0.0002852800000000, 0.0002040100000000, 0.0001911100000000 ] - [ -0.0003710200000000, 0.0000706300000000, 0.0002980300000000 ] - [ -0.0001600800000000, 0.0002898100000000, 0.0003551300000000 ] - [ 0.0012113000000000, -0.0005037700000000, -0.0001817000000000 ] - [ 0.0007291800000000, -0.0000010100000000, -0.0007152700000000 ] - [ 0.0006043800000000, 0.0001257500000000, -0.0005906300000000 ] - [ -0.0010032600000000, -0.0004014000000000, 0.0000023400000000 ] - [ -0.0011233200000000, 0.0005268700000000, 0.0001251600000000 ] - [ -0.0007559300000000, 0.0000211500000000, -0.0001657800000000 ] - [ 0.0010864900000000, 0.0003796300000000, -0.0003025600000000 ] - [ -0.0007658700000000, -0.0002166600000000, 0.0000111200000000 ] - [ 0.0020714100000000, 0.0001923600000000, -0.0002760300000000 ] - [ -0.0001467700000000, 0.0001031100000000, -0.0000592900000000 ] - [ -0.0002394700000000, -0.0000426100000000, 0.0015763800000000 ] - [ -0.0002681400000000, 0.0000073300000000, 0.0016127500000000 ] - [ 0.0002311300000000, -0.0000196600000000, -0.0000270600000000 ] - [ 0.0001969400000000, -0.0000123900000000, 0.0000066500000000 ] - [ 0.0020399400000000, -0.0001575100000000, -0.0003058600000000 ] - [ -0.0001141000000000, -0.0000725900000000, -0.0000251900000000 ] - [ 0.0002916100000000, -0.0001840700000000, 0.0000862700000000 ] - [ 0.0001622700000000, -0.0000116800000000, 0.0000875900000000 ] - [ -0.0007166000000000, -0.0035831600000000, -0.0035420500000000 ] - [ -0.0006706500000000, 0.0036330700000000, -0.0035480300000000 ] - [ -0.0003447800000000, -0.0001709900000000, -0.0012274800000000 ] - [ -0.0004271000000000, 0.0001124700000000, -0.0001230100000000 ] - [ 0.0001451200000000, 0.0040311200000000, 0.0035748900000000 ] - [ 0.0000844100000000, 0.0015842000000000, 0.0002513300000000 ] - [ 0.0001663100000000, -0.0040722600000000, 0.0035929800000000 ] - [ 0.0004339400000000, -0.0000417200000000, 0.0000250800000000 ] - [ 0.0002935300000000, -0.0000362700000000, -0.0001695300000000 ] - [ 0.0021345000000000, -0.0002838000000000, 0.0001457600000000 ] - [ 0.0002586300000000, 0.0000866200000000, -0.0000123100000000 ] - [ 0.0020932900000000, 0.0002574000000000, 0.0000744700000000 ] - [ 0.0003659400000000, 0.0000810900000000, 0.0000473000000000 ] - [ 0.0003250800000000, -0.0001278100000000, 0.0000081800000000 ] - [ 0.0002529200000000, 0.0000570200000000, -0.0001016300000000 ] - [ -0.0004133400000000, 0.0001948100000000, -0.0011833600000000 ] - [ -0.0003593700000000, -0.0001339900000000, -0.0000815000000000 ] - [ -0.0002620200000000, -0.0016546400000000, -0.0000099300000000 ] - [ -0.0002276600000000, 0.0015826800000000, 0.0000076700000000 ] - [ 0.0001405900000000, 0.0000520500000000, 0.0001572000000000 ] - [ 0.0002697600000000, 0.0001438400000000, 0.0000179900000000 ] - [ 0.0000991000000000, -0.0015141100000000, 0.0002162800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1357685000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016416700000000, 0.0000000000000000 ] - [ -0.0002439000000000, 0.0004824800000000, 0.0001047800000000 ] - [ 0.0002439000000000, 0.0004824800000000, -0.0001047800000000 ] - [ 0.0001065100000000, 0.0004837800000000, 0.0002408900000000 ] - [ 0.0000000000000000, 0.0003532300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003600800000000, 0.0000000000000000 ] - [ -0.0001065100000000, 0.0004837800000000, -0.0002408900000000 ] - [ -0.0214139600000000, 0.0314547700000000, -0.0194790800000000 ] - [ -0.0001105400000000, -0.0002710600000000, 0.0001897200000000 ] - [ -0.0002838900000000, 0.0000841000000000, -0.0003141900000000 ] - [ 0.0002838900000000, 0.0000841000000000, 0.0003141900000000 ] - [ 0.0201250700000000, 0.0318578600000000, -0.0222061100000000 ] - [ -0.0000240500000000, -0.0012543500000000, -0.0000422100000000 ] - [ -0.0003303700000000, 0.0000830900000000, 0.0001944200000000 ] - [ -0.0000745800000000, -0.0003734400000000, 0.0003035200000000 ] - [ 0.0003303700000000, 0.0000830900000000, -0.0001944200000000 ] - [ 0.0001085800000000, -0.0004824200000000, -0.0000300200000000 ] - [ 0.0000428200000000, -0.0012341600000000, 0.0000245500000000 ] - [ -0.0002323500000000, -0.0002157700000000, 0.0004047300000000 ] - [ -0.0001894800000000, -0.0003569600000000, -0.0001259200000000 ] - [ 0.0214139600000000, 0.0314547700000000, 0.0194790800000000 ] - [ 0.0004068500000000, -0.0001297100000000, 0.0002473500000000 ] - [ 0.0001894800000000, -0.0003569600000000, 0.0001259200000000 ] - [ -0.0000428200000000, -0.0012341600000000, -0.0000245500000000 ] - [ -0.0201250700000000, 0.0318578600000000, 0.0222061100000000 ] - [ 0.0000240500000000, -0.0012543500000000, 0.0000422100000000 ] - [ 0.0002196400000000, -0.0003737900000000, 0.0000591500000000 ] - [ -0.0002196400000000, -0.0003737900000000, -0.0000591500000000 ] - [ 0.0001105400000000, -0.0002710600000000, -0.0001897200000000 ] - [ 0.0002323500000000, -0.0002157700000000, -0.0004047300000000 ] - [ 0.0000745800000000, -0.0003734400000000, -0.0003035200000000 ] - [ -0.0001686600000000, 0.0000243300000000, -0.0000376700000000 ] - [ 0.0000885100000000, -0.0003635700000000, -0.0002277200000000 ] - [ -0.0000885100000000, -0.0003635700000000, 0.0002277200000000 ] - [ 0.0001524300000000, 0.0001415300000000, -0.0002862800000000 ] - [ -0.0001524300000000, 0.0001415300000000, 0.0002862800000000 ] - [ -0.0001085800000000, -0.0004824200000000, 0.0000300200000000 ] - [ 0.0001686600000000, 0.0000243300000000, 0.0000376700000000 ] - [ -0.0004068500000000, -0.0001297100000000, -0.0002473500000000 ] - [ 0.0013437100000000, -0.0001824600000000, 0.0003317800000000 ] - [ -0.0000976600000000, 0.0004002500000000, -0.0000230000000000 ] - [ -0.0003135300000000, -0.0002071700000000, 0.0013190800000000 ] - [ 0.0003135300000000, -0.0002071700000000, -0.0013190800000000 ] - [ -0.0000002700000000, 0.0003803100000000, 0.0000762200000000 ] - [ 0.0000002700000000, 0.0003803100000000, -0.0000762200000000 ] - [ -0.0013437100000000, -0.0001824600000000, -0.0003317800000000 ] - [ 0.0000976600000000, 0.0004002500000000, 0.0000230000000000 ] - [ 0.0000210600000000, -0.0003940900000000, -0.0001469900000000 ] - [ -0.0000387800000000, 0.0003188100000000, -0.0001047200000000 ] - [ -0.0037704600000000, 0.0011800400000000, 0.0041550400000000 ] - [ 0.0037704600000000, 0.0011800400000000, -0.0041550400000000 ] - [ -0.0001996400000000, -0.0002881500000000, -0.0011373800000000 ] - [ -0.0000735600000000, 0.0004235100000000, -0.0000603700000000 ] - [ 0.0041737700000000, 0.0011187300000000, 0.0037764200000000 ] - [ 0.0003820400000000, 0.0022092800000000, -0.0001785600000000 ] - [ -0.0041737700000000, 0.0011187300000000, -0.0037764200000000 ] - [ 0.0002217700000000, -0.0003690800000000, 0.0000051400000000 ] - [ -0.0000341600000000, 0.0004389500000000, -0.0000009800000000 ] - [ -0.0011079100000000, -0.0003076100000000, 0.0002752500000000 ] - [ 0.0000302700000000, 0.0002932200000000, -0.0000542100000000 ] - [ 0.0011079100000000, -0.0003076100000000, -0.0002752500000000 ] - [ -0.0002217700000000, -0.0003690800000000, -0.0000051400000000 ] - [ -0.0000302700000000, 0.0002932200000000, 0.0000542100000000 ] - [ 0.0000341600000000, 0.0004389500000000, 0.0000009800000000 ] - [ 0.0001996400000000, -0.0002881500000000, 0.0011373800000000 ] - [ 0.0000735600000000, 0.0004235100000000, 0.0000603700000000 ] - [ -0.0001991100000000, 0.0021355200000000, -0.0003937400000000 ] - [ 0.0001991100000000, 0.0021355200000000, 0.0003937400000000 ] - [ 0.0000387800000000, 0.0003188100000000, 0.0001047200000000 ] - [ -0.0000210600000000, -0.0003940900000000, 0.0001469900000000 ] - [ -0.0003820400000000, 0.0022092800000000, 0.0001785600000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014768600000000, 0.0000010600000000, 0.0003795700000000 ] - [ -0.0014768600000000, -0.0000010600000000, -0.0003795700000000 ] - [ 0.0012837300000000, -0.0002618800000000, -0.0000015000000000 ] - [ 0.0012837300000000, 0.0002618800000000, 0.0000015000000000 ] - [ 0.0003536500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.1432676700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003488100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003568000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011255300000000, -0.0004474800000000, -0.0002732100000000 ] - [ -0.0004470900000000, 0.0002508100000000, -0.0000176200000000 ] - [ -0.0008768800000000, 0.0002250300000000, 0.0000580200000000 ] - [ -0.0007933100000000, -0.0002313500000000, 0.0000427100000000 ] - [ 0.0006461500000000, -0.0000613100000000, -0.0007611000000000 ] - [ 0.0006519600000000, -0.0000764500000000, 0.0006772400000000 ] - [ -0.0000218500000000, 0.0001572200000000, 0.0002660100000000 ] - [ -0.0000218500000000, -0.0001572200000000, -0.0002660100000000 ] - [ -0.0000063000000000, -0.0001526100000000, 0.0003501500000000 ] - [ -0.0002762800000000, -0.0000975500000000, -0.0001156600000000 ] - [ 0.0011255300000000, 0.0004474800000000, 0.0002732100000000 ] - [ -0.0004470900000000, -0.0002508100000000, 0.0000176200000000 ] - [ -0.0010894200000000, -0.0000332800000000, -0.0003819100000000 ] - [ 0.0010413600000000, 0.0004325600000000, -0.0002691800000000 ] - [ -0.0010894200000000, 0.0000332800000000, 0.0003819100000000 ] - [ -0.0010939000000000, -0.0000517900000000, -0.0003661200000000 ] - [ 0.0010413600000000, -0.0004325600000000, 0.0002691800000000 ] - [ 0.0006519600000000, 0.0000764500000000, -0.0006772400000000 ] - [ 0.0006461500000000, 0.0000613100000000, 0.0007611000000000 ] - [ -0.0008768800000000, -0.0002250300000000, -0.0000580200000000 ] - [ -0.0007933100000000, 0.0002313500000000, -0.0000427100000000 ] - [ -0.0004621400000000, -0.0001676800000000, -0.0000241200000000 ] - [ -0.0004621400000000, 0.0001676800000000, 0.0000241200000000 ] - [ -0.0000063000000000, 0.0001526100000000, -0.0003501500000000 ] - [ 0.0339800900000000, -0.0221222600000000, 0.0221232400000000 ] - [ 0.0339800900000000, 0.0221222600000000, -0.0221232400000000 ] - [ 0.0343783000000000, -0.0227832400000000, -0.0227832100000000 ] - [ -0.0001636700000000, 0.0000151500000000, 0.0000030400000000 ] - [ -0.0002762800000000, 0.0000975500000000, 0.0001156600000000 ] - [ -0.0001636700000000, -0.0000151500000000, -0.0000030400000000 ] - [ 0.0343783000000000, 0.0227832400000000, 0.0227832100000000 ] - [ -0.0010939000000000, 0.0000517900000000, 0.0003661200000000 ] - [ 0.0002580200000000, 0.0001403300000000, 0.0002172500000000 ] - [ 0.0001669700000000, -0.0036879100000000, 0.0036294300000000 ] - [ 0.0002315400000000, -0.0037342100000000, -0.0036753300000000 ] - [ 0.0001669700000000, 0.0036879100000000, -0.0036294300000000 ] - [ 0.0002580200000000, -0.0001403300000000, -0.0002172500000000 ] - [ 0.0002298000000000, 0.0001121600000000, -0.0001886000000000 ] - [ 0.0002298000000000, -0.0001121600000000, 0.0001886000000000 ] - [ 0.0002315400000000, 0.0037342100000000, 0.0036753300000000 ] - [ 0.0021905400000000, 0.0002302800000000, 0.0001133300000000 ] - [ 0.0021905400000000, -0.0002302800000000, -0.0001133300000000 ] - [ -0.0002722500000000, -0.0002111400000000, 0.0014821400000000 ] - [ -0.0002553600000000, 0.0002927400000000, 0.0014691700000000 ] - [ -0.0004005300000000, 0.0013626500000000, -0.0003310400000000 ] - [ -0.0004835900000000, 0.0013498000000000, 0.0003121700000000 ] - [ -0.0001493400000000, -0.0001253100000000, -0.0000943500000000 ] - [ -0.0001493400000000, 0.0001253100000000, 0.0000943500000000 ] - [ -0.0001371300000000, 0.0000454600000000, -0.0000744100000000 ] - [ 0.0004146800000000, 0.0000327200000000, -0.0001173900000000 ] - [ 0.0002073600000000, -0.0000748000000000, -0.0000253100000000 ] - [ 0.0002073600000000, 0.0000748000000000, 0.0000253100000000 ] - [ 0.0003350600000000, 0.0000129100000000, 0.0001049400000000 ] - [ 0.0001875700000000, -0.0000871900000000, -0.0000556400000000 ] - [ 0.0003350600000000, -0.0000129100000000, -0.0001049400000000 ] - [ 0.0004146800000000, -0.0000327200000000, 0.0001173900000000 ] - [ 0.0001875700000000, 0.0000871900000000, 0.0000556400000000 ] - [ -0.0004835900000000, -0.0013498000000000, -0.0003121700000000 ] - [ -0.0004005300000000, -0.0013626500000000, 0.0003310400000000 ] - [ -0.0002722500000000, 0.0002111400000000, -0.0014821400000000 ] - [ -0.0002553600000000, -0.0002927400000000, -0.0014691700000000 ] - [ 0.0021814800000000, 0.0002490400000000, -0.0000288500000000 ] - [ 0.0021814800000000, -0.0002490400000000, 0.0000288500000000 ] - [ -0.0001371300000000, -0.0000454600000000, 0.0000744100000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0357074700000000, -0.0213676800000000, 0.0217788300000000 ] - [ 0.0011856500000000, -0.0000009500000000, 0.0000354400000000 ] - [ -0.0009715800000000, -0.0002068700000000, 0.0002365800000000 ] - [ -0.0007527300000000, 0.0003916300000000, 0.0002623600000000 ] - [ -0.0003141800000000, 0.0001661400000000, -0.0000749800000000 ] - [ 0.0010856100000000, -0.0003099400000000, 0.0000091000000000 ] - [ -0.0008364100000000, -0.0002095600000000, 0.0007237800000000 ] - [ -0.0001712600000000, -0.0001073100000000, -0.0002541200000000 ] - [ -0.0549810700000000, 0.0294528500000000, -0.0284256200000000 ] - [ 0.0000335700000000, 0.0000486300000000, 0.0000826100000000 ] - [ 0.0006988200000000, -0.0003777500000000, -0.0005768200000000 ] - [ 0.0018637400000000, 0.0002316200000000, -0.0001129700000000 ] - [ -0.0032332800000000, 0.0002812000000000, -0.0002344100000000 ] - [ -0.0003825700000000, -0.0002873300000000, -0.0000318300000000 ] - [ -0.0000474500000000, 0.0003079900000000, 0.0002974200000000 ] - [ -0.0000916600000000, 0.0000742900000000, 0.0002135900000000 ] - [ 0.0001813500000000, -0.0002274500000000, 0.0002023400000000 ] - [ 0.0004625000000000, 0.0000100000000000, -0.0000373600000000 ] - [ -0.0005599100000000, -0.0003203900000000, -0.0001657000000000 ] - [ 0.0000276100000000, -0.0000202400000000, 0.0000888600000000 ] - [ 0.0001662200000000, -0.0001309700000000, -0.0000464000000000 ] - [ 0.0046754500000000, -0.0004642400000000, 0.0063501400000000 ] - [ 0.0007986000000000, -0.0002978200000000, 0.0002093300000000 ] - [ 0.0004450200000000, -0.0002037500000000, 0.0001504200000000 ] - [ -0.0007385300000000, 0.0003472400000000, 0.0001370000000000 ] - [ 0.0059130300000000, -0.0077741100000000, 0.0002523400000000 ] - [ -0.0008786100000000, -0.0002317900000000, -0.0005511800000000 ] - [ 0.0007003400000000, -0.0002666700000000, 0.0003007700000000 ] - [ 0.0004156200000000, -0.0000505900000000, 0.0000999500000000 ] - [ 0.0001677400000000, -0.0001032000000000, -0.0000648500000000 ] - [ 0.0002240600000000, -0.0000497800000000, -0.0000356300000000 ] - [ 0.0000725000000000, -0.0001259800000000, -0.0001297200000000 ] - [ -0.0006719800000000, 0.0003399800000000, -0.0002316700000000 ] - [ -0.0002649500000000, 0.0001417700000000, 0.0001065900000000 ] - [ -0.0005672000000000, 0.0000321500000000, 0.0005360300000000 ] - [ 0.0008508200000000, 0.0007465700000000, -0.0005247200000000 ] - [ 0.0005503000000000, -0.0001626500000000, -0.0001293700000000 ] - [ 0.0002499500000000, -0.0000754400000000, -0.0000443000000000 ] - [ -0.0008538100000000, -0.0002198500000000, 0.0001411400000000 ] - [ 0.0005228400000000, 0.0002128900000000, -0.0001013400000000 ] - [ -0.0001077500000000, -0.0003604400000000, 0.0004547200000000 ] - [ 0.0000445600000000, 0.0000875800000000, -0.0000414500000000 ] - [ 0.0001174300000000, -0.0002222600000000, -0.0006514000000000 ] - [ 0.0009831400000000, 0.0000032300000000, 0.0001004500000000 ] - [ -0.0000514500000000, 0.0000666800000000, 0.0000209100000000 ] - [ -0.0001499600000000, 0.0000618500000000, 0.0000156300000000 ] - [ -0.0009914300000000, 0.0000167600000000, 0.0000966700000000 ] - [ 0.0000483100000000, -0.0000453700000000, 0.0001589100000000 ] - [ -0.0000637100000000, -0.0000497200000000, -0.0000987400000000 ] - [ -0.0000293400000000, 0.0001491800000000, -0.0001820200000000 ] - [ 0.0011741800000000, -0.0003897300000000, -0.0000792100000000 ] - [ 0.0052111300000000, 0.0008940600000000, -0.0004721900000000 ] - [ 0.0002571700000000, 0.0000358200000000, -0.0002232800000000 ] - [ 0.0000563800000000, 0.0000655800000000, -0.0000624100000000 ] - [ 0.0013197300000000, -0.0000216200000000, 0.0004296600000000 ] - [ 0.0000939600000000, 0.0001247600000000, 0.0000619800000000 ] - [ -0.0001768200000000, 0.0007851800000000, -0.0007780700000000 ] - [ -0.0001517700000000, -0.0000012400000000, -0.0000593400000000 ] - [ -0.0001088800000000, 0.0002891000000000, 0.0001616500000000 ] - [ 0.0027851200000000, 0.0000507200000000, -0.0001610800000000 ] - [ -0.0000996700000000, 0.0000116300000000, -0.0000392400000000 ] - [ -0.0010303700000000, -0.0002406400000000, -0.0000438600000000 ] - [ -0.0003180800000000, -0.0001925300000000, -0.0001709000000000 ] - [ -0.0001200200000000, 0.0000873500000000, -0.0000118500000000 ] - [ -0.0003247800000000, -0.0000137200000000, 0.0001019700000000 ] - [ 0.0001316700000000, 0.0001047200000000, 0.0006639700000000 ] - [ 0.0002038500000000, 0.0000659300000000, 0.0000085600000000 ] - [ 0.0009177800000000, -0.0004017700000000, 0.0006430500000000 ] - [ 0.0000369200000000, -0.0007267000000000, -0.0002080700000000 ] - [ -0.0001100000000000, 0.0000545900000000, -0.0000212300000000 ] - [ -0.0002854100000000, -0.0001396700000000, -0.0000234100000000 ] - [ 0.0000564800000000, 0.0006580700000000, -0.0000320200000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0363834400000000, 0.0222569300000000, -0.0227026500000000 ] - [ -0.0011839300000000, -0.0000024800000000, -0.0000368000000000 ] - [ 0.0009695100000000, 0.0002104100000000, -0.0002402200000000 ] - [ 0.0007529000000000, -0.0003890700000000, -0.0002590300000000 ] - [ 0.0003112600000000, -0.0001629800000000, 0.0000734200000000 ] - [ -0.0010816100000000, 0.0003065100000000, -0.0000056500000000 ] - [ 0.0008368500000000, 0.0002109600000000, -0.0007201200000000 ] - [ 0.0001743300000000, 0.0001074500000000, 0.0002532600000000 ] - [ 0.0558413900000000, -0.0303310900000000, 0.0292850200000000 ] - [ -0.0000208500000000, 0.0000285000000000, -0.0000762800000000 ] - [ -0.0007782200000000, 0.0003717700000000, 0.0005881000000000 ] - [ -0.0017777500000000, -0.0002353500000000, 0.0001002300000000 ] - [ 0.0032328700000000, -0.0003030200000000, 0.0001936300000000 ] - [ 0.0003911800000000, 0.0002775100000000, -0.0000468800000000 ] - [ 0.0000328100000000, -0.0003045700000000, -0.0003764500000000 ] - [ 0.0000773000000000, -0.0000793900000000, -0.0001323700000000 ] - [ -0.0001647700000000, 0.0002326500000000, -0.0001224600000000 ] - [ -0.0005828800000000, -0.0001295000000000, -0.0000770100000000 ] - [ 0.0006381700000000, 0.0003367800000000, 0.0001696600000000 ] - [ -0.0000155500000000, -0.0000586800000000, -0.0000934000000000 ] - [ -0.0001610300000000, 0.0000502900000000, 0.0000331000000000 ] - [ -0.0047892700000000, 0.0004573500000000, -0.0064082000000000 ] - [ -0.0007906100000000, 0.0003760100000000, -0.0001939000000000 ] - [ -0.0004470100000000, 0.0001215700000000, -0.0001353800000000 ] - [ 0.0006619000000000, -0.0003283900000000, -0.0001430200000000 ] - [ -0.0059528100000000, 0.0078725100000000, -0.0001739000000000 ] - [ 0.0008747200000000, 0.0002169900000000, 0.0006278700000000 ] - [ -0.0007763500000000, 0.0002684300000000, -0.0003134300000000 ] - [ -0.0003375600000000, 0.0000584400000000, -0.0000882100000000 ] - [ -0.0001761700000000, 0.0001821200000000, 0.0000551400000000 ] - [ -0.0002339200000000, -0.0000293600000000, 0.0000411000000000 ] - [ -0.0000569000000000, 0.0001221500000000, 0.0000508800000000 ] - [ 0.0007936700000000, -0.0004591500000000, 0.0003445300000000 ] - [ 0.0003844700000000, -0.0000203300000000, -0.0002280700000000 ] - [ 0.0004436500000000, 0.0000901600000000, -0.0004155900000000 ] - [ -0.0007292200000000, -0.0006212800000000, 0.0004036900000000 ] - [ -0.0006706200000000, 0.0002802600000000, 0.0002513900000000 ] - [ -0.0001348400000000, -0.0000442700000000, 0.0001655200000000 ] - [ 0.0007321200000000, 0.0000976600000000, -0.0002587300000000 ] - [ -0.0005255800000000, -0.0001319800000000, 0.0000874800000000 ] - [ 0.0001371000000000, 0.0003828900000000, -0.0004231900000000 ] - [ -0.0000698900000000, -0.0000626100000000, 0.0000144900000000 ] - [ -0.0000924300000000, 0.0001949000000000, 0.0006246500000000 ] - [ -0.0010037000000000, -0.0000270400000000, -0.0000651800000000 ] - [ 0.0000805600000000, -0.0000929000000000, -0.0000488600000000 ] - [ 0.0001188900000000, -0.0000913600000000, 0.0000153700000000 ] - [ 0.0009635200000000, 0.0000091300000000, -0.0001237600000000 ] - [ -0.0000242400000000, 0.0000702500000000, -0.0001316600000000 ] - [ 0.0000831700000000, 0.0000193200000000, 0.0001730200000000 ] - [ 0.0000495100000000, -0.0001177300000000, 0.0001052500000000 ] - [ -0.0012070400000000, 0.0004619400000000, 0.0001064200000000 ] - [ -0.0053929200000000, -0.0008905100000000, 0.0005052300000000 ] - [ -0.0001837900000000, -0.0000179600000000, 0.0001895900000000 ] - [ -0.0001336300000000, -0.0000832100000000, 0.0000313900000000 ] - [ -0.0013364100000000, -0.0000539500000000, -0.0004577800000000 ] - [ -0.0001098600000000, -0.0000459500000000, -0.0000315700000000 ] - [ 0.0001901700000000, -0.0008575100000000, 0.0008093200000000 ] - [ 0.0002266000000000, 0.0000317200000000, 0.0000416500000000 ] - [ 0.0001411600000000, -0.0002686500000000, -0.0002355800000000 ] - [ -0.0025995400000000, -0.0000823000000000, 0.0002401200000000 ] - [ 0.0000300700000000, -0.0000416600000000, 0.0000224000000000 ] - [ 0.0009983100000000, 0.0002204700000000, -0.0000293000000000 ] - [ 0.0002424400000000, 0.0002202400000000, 0.0001867100000000 ] - [ 0.0001933800000000, -0.0001175600000000, 0.0000282300000000 ] - [ 0.0002937000000000, 0.0000312900000000, -0.0000284300000000 ] - [ -0.0002060400000000, -0.0000829300000000, -0.0006312500000000 ] - [ -0.0001294400000000, -0.0000839300000000, 0.0000215700000000 ] - [ -0.0009443600000000, 0.0003236900000000, -0.0006580600000000 ] - [ -0.0000093600000000, 0.0006506000000000, 0.0002250900000000 ] - [ 0.0000917400000000, -0.0000250300000000, 0.0000981600000000 ] - [ 0.0002665200000000, 0.0001079200000000, -0.0000537400000000 ] - [ -0.0000423800000000, -0.0005840800000000, 0.0000034400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0225220600000000, 0.0318563800000000, -0.0204643100000000 ] - [ -0.0001830800000000, -0.0012414400000000, 0.0001043200000000 ] - [ 0.0003961900000000, 0.0000165900000000, 0.0003213100000000 ] - [ 0.0002071100000000, -0.0001672000000000, -0.0000668800000000 ] - [ 0.0001179500000000, -0.0002807900000000, 0.0000881300000000 ] - [ -0.0004396600000000, -0.0000176800000000, 0.0003739900000000 ] - [ 0.0000518700000000, -0.0004519400000000, 0.0000697300000000 ] - [ -0.0002389500000000, -0.0003666700000000, 0.0000160000000000 ] - [ 0.0303075500000000, -0.0487474600000000, 0.0285421300000000 ] - [ 0.0001183100000000, 0.0002625600000000, -0.0000875200000000 ] - [ -0.0003430800000000, -0.0000216700000000, 0.0002340400000000 ] - [ -0.0000683900000000, 0.0000147900000000, -0.0001121000000000 ] - [ -0.0008513700000000, 0.0044701300000000, -0.0078944000000000 ] - [ 0.0003283900000000, 0.0008702000000000, 0.0002445100000000 ] - [ 0.0002450900000000, 0.0000846400000000, 0.0001660800000000 ] - [ 0.0000389700000000, 0.0002780100000000, -0.0000592800000000 ] - [ -0.0001960000000000, 0.0001538800000000, -0.0001078900000000 ] - [ -0.0000993800000000, 0.0002851200000000, -0.0000091000000000 ] - [ 0.0003631400000000, 0.0012267900000000, 0.0002877300000000 ] - [ 0.0001850200000000, -0.0000135200000000, -0.0000603200000000 ] - [ -0.0000602600000000, 0.0000301300000000, 0.0000008900000000 ] - [ 0.0004421300000000, -0.0029758800000000, 0.0003947400000000 ] - [ -0.0002920700000000, -0.0000031300000000, -0.0002454700000000 ] - [ -0.0002392100000000, 0.0001374700000000, -0.0001971500000000 ] - [ 0.0003007200000000, 0.0011075500000000, 0.0002534000000000 ] - [ -0.0080006300000000, 0.0044697000000000, -0.0002600300000000 ] - [ -0.0002125900000000, 0.0013393900000000, -0.0001899400000000 ] - [ -0.0006149900000000, 0.0000980500000000, -0.0002320800000000 ] - [ -0.0000570600000000, 0.0000531100000000, 0.0000004000000000 ] - [ -0.0000832000000000, 0.0002093700000000, 0.0000402300000000 ] - [ -0.0001165600000000, -0.0000075900000000, 0.0000622000000000 ] - [ 0.0000007900000000, 0.0002135600000000, 0.0000056000000000 ] - [ 0.0004687300000000, -0.0002427500000000, -0.0002192600000000 ] - [ 0.0003089300000000, 0.0001950600000000, -0.0002855700000000 ] - [ 0.0002022700000000, 0.0001159300000000, -0.0005306600000000 ] - [ 0.0003141200000000, 0.0001254000000000, -0.0001175600000000 ] - [ -0.0002249000000000, 0.0001735300000000, -0.0000387200000000 ] - [ 0.0000446800000000, 0.0002236900000000, 0.0000180500000000 ] - [ 0.0002382200000000, -0.0000484200000000, -0.0002959800000000 ] - [ -0.0001487100000000, -0.0000472900000000, 0.0000399900000000 ] - [ -0.0005860800000000, 0.0001966400000000, 0.0001364400000000 ] - [ 0.0000366400000000, -0.0002158300000000, -0.0000210700000000 ] - [ 0.0000038900000000, 0.0002331200000000, 0.0001728600000000 ] - [ -0.0003606600000000, 0.0003706000000000, 0.0003020100000000 ] - [ 0.0000313800000000, -0.0005356000000000, -0.0000886300000000 ] - [ -0.0000370800000000, -0.0002284700000000, 0.0000589700000000 ] - [ 0.0005448400000000, 0.0002214500000000, -0.0001166100000000 ] - [ -0.0001109000000000, -0.0002439900000000, 0.0001066100000000 ] - [ 0.0000777600000000, 0.0001521000000000, 0.0001290200000000 ] - [ 0.0001224000000000, -0.0001797600000000, 0.0001567200000000 ] - [ -0.0004442500000000, 0.0012118000000000, 0.0006244700000000 ] - [ 0.0006976300000000, 0.0012165300000000, -0.0004140100000000 ] - [ -0.0000648300000000, 0.0001932700000000, 0.0005302800000000 ] - [ -0.0000338400000000, -0.0002766300000000, 0.0000073800000000 ] - [ 0.0001374500000000, 0.0032613200000000, 0.0000858900000000 ] - [ -0.0000886600000000, -0.0008666900000000, 0.0000240800000000 ] - [ 0.0007844900000000, -0.0003306300000000, 0.0007457600000000 ] - [ 0.0000497700000000, 0.0001366900000000, 0.0000492200000000 ] - [ 0.0002551200000000, -0.0003239200000000, -0.0002414400000000 ] - [ 0.0003486400000000, 0.0002508000000000, -0.0000239500000000 ] - [ -0.0000552100000000, -0.0001715600000000, 0.0000236300000000 ] - [ 0.0001728800000000, 0.0002775700000000, -0.0000239400000000 ] - [ -0.0000515400000000, 0.0002447100000000, -0.0000575100000000 ] - [ 0.0000719500000000, -0.0002099900000000, -0.0000101100000000 ] - [ -0.0000025000000000, -0.0002108200000000, -0.0000557200000000 ] - [ 0.0000857200000000, 0.0001637300000000, -0.0006086200000000 ] - [ 0.0000266600000000, -0.0004551000000000, 0.0000318500000000 ] - [ -0.0010678300000000, 0.0035118500000000, -0.0012438500000000 ] - [ -0.0002259300000000, -0.0000611700000000, -0.0001624400000000 ] - [ -0.0000248700000000, -0.0000890300000000, 0.0000868200000000 ] - [ 0.0000058000000000, 0.0001866000000000, 0.0000322000000000 ] - [ 0.0000131200000000, -0.0008072200000000, -0.0000255600000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0217516600000000, -0.0314589700000000, 0.0197549400000000 ] - [ 0.0001861800000000, 0.0012479900000000, -0.0001022100000000 ] - [ -0.0004005000000000, -0.0000207000000000, -0.0003255300000000 ] - [ -0.0002073300000000, 0.0001646200000000, 0.0000685300000000 ] - [ -0.0001167600000000, 0.0002844500000000, -0.0000907900000000 ] - [ 0.0004422300000000, 0.0000116200000000, -0.0003759700000000 ] - [ -0.0000507900000000, 0.0004579000000000, -0.0000668500000000 ] - [ 0.0002405700000000, 0.0003673000000000, -0.0000145500000000 ] - [ -0.0294661900000000, 0.0482865000000000, -0.0278716600000000 ] - [ -0.0001055300000000, -0.0001858800000000, 0.0000934500000000 ] - [ 0.0002623300000000, 0.0000190700000000, -0.0002203000000000 ] - [ 0.0001532500000000, -0.0000174200000000, 0.0000964300000000 ] - [ 0.0008395000000000, -0.0044338400000000, 0.0077420600000000 ] - [ -0.0003280500000000, -0.0008842400000000, -0.0003278400000000 ] - [ -0.0002582200000000, -0.0000830900000000, -0.0002483700000000 ] - [ -0.0000510100000000, -0.0002835800000000, 0.0001385700000000 ] - [ 0.0002102100000000, -0.0001505700000000, 0.0001880200000000 ] - [ -0.0000217900000000, -0.0004059900000000, -0.0001101800000000 ] - [ -0.0002853000000000, -0.0012145600000000, -0.0002871700000000 ] - [ -0.0001724200000000, -0.0000666400000000, 0.0000565100000000 ] - [ 0.0000661800000000, -0.0001084300000000, -0.0000118000000000 ] - [ -0.0004888100000000, 0.0029590100000000, -0.0003610800000000 ] - [ 0.0002986700000000, 0.0000849100000000, 0.0002583900000000 ] - [ 0.0002364600000000, -0.0002178800000000, 0.0002107600000000 ] - [ -0.0003833500000000, -0.0010938300000000, -0.0002587200000000 ] - [ 0.0079325000000000, -0.0044346300000000, 0.0003360300000000 ] - [ 0.0002061500000000, -0.0013559600000000, 0.0002674100000000 ] - [ 0.0005410100000000, -0.0000919100000000, 0.0002210000000000 ] - [ 0.0001371800000000, -0.0000480800000000, 0.0000127400000000 ] - [ 0.0000723100000000, -0.0001280400000000, -0.0000449600000000 ] - [ 0.0001056200000000, -0.0000725800000000, -0.0000578300000000 ] - [ 0.0000121100000000, -0.0002174700000000, -0.0000842200000000 ] - [ -0.0003510000000000, 0.0001245300000000, 0.0003409900000000 ] - [ -0.0001907000000000, -0.0000730900000000, 0.0001664600000000 ] - [ -0.0003274900000000, 0.0000078100000000, 0.0006566300000000 ] - [ -0.0001961600000000, -0.0000048800000000, -0.0000005800000000 ] - [ 0.0001043000000000, -0.0000525300000000, 0.0001604900000000 ] - [ 0.0000771600000000, -0.0003451100000000, 0.0001043500000000 ] - [ -0.0003605200000000, -0.0000742200000000, 0.0001779500000000 ] - [ 0.0001464600000000, 0.0001292400000000, -0.0000507800000000 ] - [ 0.0006129300000000, -0.0001696200000000, -0.0001097400000000 ] - [ -0.0000643500000000, 0.0002407900000000, -0.0000063200000000 ] - [ 0.0000240300000000, -0.0002630700000000, -0.0002038200000000 ] - [ 0.0003323300000000, -0.0004022800000000, -0.0002790700000000 ] - [ -0.0000059500000000, 0.0005095300000000, 0.0000610900000000 ] - [ 0.0000097700000000, 0.0002029000000000, -0.0000314100000000 ] - [ -0.0005747200000000, -0.0001947700000000, 0.0000912600000000 ] - [ 0.0001383900000000, 0.0002700100000000, -0.0000788800000000 ] - [ -0.0000596100000000, -0.0001847200000000, -0.0000580000000000 ] - [ -0.0001044900000000, 0.0002130200000000, -0.0002313600000000 ] - [ 0.0004137900000000, -0.0011404300000000, -0.0006138700000000 ] - [ -0.0006729900000000, -0.0011402800000000, 0.0004004100000000 ] - [ 0.0001345900000000, -0.0001743600000000, -0.0005649800000000 ] - [ -0.0000384000000000, 0.0002588000000000, -0.0000414100000000 ] - [ -0.0001244300000000, -0.0031634900000000, -0.0000913700000000 ] - [ 0.0000701700000000, 0.0009389300000000, 0.0000090400000000 ] - [ -0.0007633100000000, 0.0002646600000000, -0.0007126000000000 ] - [ 0.0000207800000000, -0.0001035400000000, -0.0000690800000000 ] - [ -0.0002245900000000, 0.0003441600000000, 0.0001717000000000 ] - [ -0.0003187600000000, -0.0002743200000000, 0.0000984300000000 ] - [ -0.0000141700000000, 0.0001383800000000, -0.0000426300000000 ] - [ -0.0002101300000000, -0.0002991000000000, -0.0000460900000000 ] - [ -0.0000201300000000, -0.0002118300000000, 0.0000771100000000 ] - [ -0.0000022300000000, 0.0001773400000000, 0.0000274000000000 ] - [ -0.0000309300000000, 0.0002284400000000, 0.0001272400000000 ] - [ -0.0001560200000000, -0.0001427200000000, 0.0006436800000000 ] - [ 0.0000448000000000, 0.0004377300000000, -0.0000006400000000 ] - [ 0.0010763900000000, -0.0037437900000000, 0.0012778700000000 ] - [ 0.0002606200000000, -0.0000149400000000, 0.0001824100000000 ] - [ 0.0000070600000000, 0.0001215400000000, -0.0000144700000000 ] - [ -0.0000246200000000, -0.0002206800000000, -0.0001056500000000 ] - [ 0.0000040700000000, 0.0008768800000000, -0.0000065600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0217978900000000, -0.0193896600000000, 0.0317445200000000 ] - [ -0.0000391100000000, 0.0000284100000000, 0.0011738600000000 ] - [ -0.0004782600000000, 0.0003366500000000, 0.0000890100000000 ] - [ -0.0000689100000000, -0.0003513300000000, -0.0003223500000000 ] - [ -0.0002441500000000, 0.0002430900000000, -0.0004696700000000 ] - [ -0.0002579300000000, -0.0001590800000000, -0.0011011400000000 ] - [ -0.0002468700000000, 0.0000000500000000, 0.0006756500000000 ] - [ -0.0004129900000000, -0.0002788500000000, -0.0007509700000000 ] - [ -0.0284140500000000, 0.0278688600000000, -0.0489029000000000 ] - [ 0.0000806500000000, 0.0001004900000000, 0.0001674800000000 ] - [ -0.0003190700000000, 0.0002675600000000, 0.0001154900000000 ] - [ 0.0003010700000000, 0.0000440400000000, -0.0000131400000000 ] - [ 0.0009770600000000, -0.0079118700000000, 0.0058330500000000 ] - [ -0.0000219100000000, -0.0003555600000000, -0.0004514000000000 ] - [ 0.0002631600000000, 0.0006023300000000, 0.0007328400000000 ] - [ -0.0001660300000000, 0.0001184000000000, 0.0005926800000000 ] - [ 0.0003161100000000, -0.0004140300000000, 0.0006200200000000 ] - [ 0.0000381900000000, -0.0000583200000000, -0.0001932600000000 ] - [ 0.0002253700000000, 0.0003247600000000, -0.0007008000000000 ] - [ 0.0000873800000000, -0.0001588800000000, 0.0004536300000000 ] - [ 0.0000979300000000, 0.0000753100000000, 0.0002116200000000 ] - [ 0.0061860000000000, -0.0004440400000000, 0.0034407400000000 ] - [ 0.0006134900000000, -0.0002444700000000, 0.0000990200000000 ] - [ 0.0002830800000000, -0.0002983100000000, 0.0001867500000000 ] - [ -0.0002065900000000, -0.0002379500000000, -0.0005939300000000 ] - [ -0.0009766900000000, 0.0008456000000000, -0.0031870700000000 ] - [ -0.0005024800000000, -0.0002361600000000, -0.0008099700000000 ] - [ 0.0003134300000000, -0.0002668500000000, -0.0000420800000000 ] - [ 0.0001281500000000, 0.0001722300000000, 0.0000670000000000 ] - [ 0.0000269000000000, -0.0000114500000000, 0.0001329600000000 ] - [ 0.0000749600000000, 0.0000026800000000, 0.0001798600000000 ] - [ -0.0000625600000000, -0.0000979900000000, 0.0001188700000000 ] - [ -0.0001981800000000, -0.0004074100000000, 0.0013263500000000 ] - [ -0.0000993300000000, 0.0000404100000000, 0.0004921300000000 ] - [ -0.0004315400000000, -0.0001418800000000, 0.0009064100000000 ] - [ 0.0002375500000000, 0.0002746500000000, -0.0004692100000000 ] - [ 0.0002610400000000, -0.0002658300000000, -0.0003825300000000 ] - [ -0.0001142900000000, -0.0000315000000000, -0.0002404800000000 ] - [ -0.0000767000000000, 0.0002175900000000, 0.0015641200000000 ] - [ 0.0002633700000000, 0.0002499100000000, 0.0002084900000000 ] - [ 0.0007398000000000, 0.0001200700000000, -0.0000235000000000 ] - [ -0.0000189500000000, -0.0001444000000000, -0.0003064400000000 ] - [ 0.0001830900000000, -0.0004243500000000, -0.0010139600000000 ] - [ 0.0011833400000000, -0.0000306600000000, 0.0025010800000000 ] - [ -0.0000852900000000, 0.0001334600000000, 0.0001343900000000 ] - [ -0.0000554700000000, 0.0000596200000000, 0.0000085700000000 ] - [ -0.0000939900000000, -0.0000664600000000, 0.0001373700000000 ] - [ 0.0000881300000000, 0.0001688600000000, -0.0000410700000000 ] - [ -0.0001274100000000, 0.0000256700000000, -0.0004687200000000 ] - [ -0.0001038900000000, 0.0001627100000000, -0.0002496200000000 ] - [ -0.0000646200000000, 0.0007678100000000, 0.0047530900000000 ] - [ -0.0005172800000000, -0.0003875700000000, 0.0010850300000000 ] - [ 0.0003319000000000, 0.0001556700000000, -0.0009726300000000 ] - [ -0.0000389100000000, 0.0001729600000000, -0.0001450600000000 ] - [ 0.0004926800000000, -0.0000154600000000, 0.0013236300000000 ] - [ 0.0001170600000000, 0.0006850700000000, 0.0001075600000000 ] - [ -0.0007974100000000, 0.0007646900000000, 0.0000209800000000 ] - [ -0.0001124100000000, 0.0000772000000000, -0.0001407600000000 ] - [ 0.0000181500000000, -0.0000184600000000, 0.0002176800000000 ] - [ -0.0005225800000000, -0.0000847400000000, 0.0002620000000000 ] - [ -0.0000385100000000, 0.0000277100000000, -0.0001000300000000 ] - [ -0.0006341100000000, -0.0001214800000000, 0.0002578300000000 ] - [ -0.0002805500000000, -0.0002434900000000, -0.0001248400000000 ] - [ -0.0000266000000000, 0.0001053300000000, -0.0000382900000000 ] - [ -0.0000693500000000, 0.0000937700000000, 0.0002435000000000 ] - [ 0.0005405200000000, -0.0005678800000000, -0.0005116300000000 ] - [ 0.0000921400000000, 0.0001013600000000, -0.0000646900000000 ] - [ 0.0007836300000000, -0.0006705700000000, 0.0010324800000000 ] - [ -0.0001275500000000, -0.0008403700000000, -0.0000115600000000 ] - [ 0.0000148000000000, -0.0000583700000000, -0.0001454000000000 ] - [ -0.0001265800000000, -0.0001010400000000, -0.0003575100000000 ] - [ 0.0000211100000000, 0.0001017600000000, 0.0001288800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0225614600000000, 0.0201729400000000, -0.0321592400000000 ] - [ 0.0000689300000000, -0.0000703600000000, -0.0011848800000000 ] - [ 0.0004326900000000, -0.0002722200000000, -0.0001249300000000 ] - [ 0.0000225900000000, 0.0002971700000000, 0.0003821500000000 ] - [ 0.0001446600000000, -0.0002219600000000, 0.0004575100000000 ] - [ 0.0003034200000000, 0.0001879700000000, 0.0011262800000000 ] - [ 0.0002270700000000, 0.0000192500000000, -0.0006558600000000 ] - [ 0.0004144800000000, 0.0002885200000000, 0.0007675800000000 ] - [ 0.0292854600000000, -0.0285585300000000, 0.0494503300000000 ] - [ -0.0000486100000000, 0.0000096400000000, -0.0001914700000000 ] - [ 0.0002272400000000, -0.0002465600000000, -0.0000828700000000 ] - [ -0.0001829800000000, -0.0000260100000000, -0.0000135900000000 ] - [ -0.0009823100000000, 0.0080184800000000, -0.0059925600000000 ] - [ -0.0000039600000000, 0.0003372900000000, 0.0003590200000000 ] - [ -0.0003102200000000, -0.0006184700000000, -0.0008360100000000 ] - [ 0.0001315800000000, -0.0000987600000000, -0.0004806800000000 ] - [ -0.0002226400000000, 0.0002691200000000, -0.0004186100000000 ] - [ -0.0000767700000000, 0.0000182600000000, 0.0001520400000000 ] - [ -0.0001393000000000, -0.0002698100000000, 0.0006939100000000 ] - [ -0.0000486400000000, 0.0000536300000000, -0.0004248200000000 ] - [ -0.0000783700000000, -0.0001661000000000, -0.0002299500000000 ] - [ -0.0064495000000000, 0.0003656200000000, -0.0036170700000000 ] - [ -0.0006053200000000, 0.0003333100000000, -0.0000697700000000 ] - [ -0.0001818000000000, 0.0001458900000000, -0.0001064700000000 ] - [ 0.0000573500000000, 0.0003016100000000, 0.0006785100000000 ] - [ 0.0009965700000000, -0.0008524500000000, 0.0032802900000000 ] - [ 0.0005128500000000, 0.0002114200000000, 0.0009241900000000 ] - [ -0.0003986700000000, 0.0002484600000000, 0.0000285000000000 ] - [ -0.0000044400000000, -0.0001767600000000, -0.0000386900000000 ] - [ -0.0000380700000000, 0.0001098300000000, -0.0001275200000000 ] - [ -0.0000812000000000, -0.0001057500000000, -0.0001885900000000 ] - [ 0.0001091500000000, 0.0001547800000000, -0.0002479900000000 ] - [ 0.0003214000000000, 0.0001901600000000, -0.0010891100000000 ] - [ 0.0002387100000000, 0.0001940800000000, -0.0006976400000000 ] - [ 0.0001977700000000, 0.0002880700000000, -0.0007512200000000 ] - [ -0.0001933700000000, -0.0002256000000000, 0.0004262700000000 ] - [ -0.0002788500000000, 0.0002920000000000, 0.0004049300000000 ] - [ 0.0001593000000000, -0.0000132500000000, 0.0002892800000000 ] - [ -0.0002075700000000, -0.0003882400000000, -0.0017317400000000 ] - [ -0.0000992000000000, -0.0000333700000000, -0.0002963900000000 ] - [ -0.0007373300000000, -0.0001086200000000, 0.0000324400000000 ] - [ 0.0000402200000000, 0.0001313900000000, 0.0003228600000000 ] - [ -0.0000030700000000, 0.0002337100000000, 0.0008282500000000 ] - [ -0.0011236700000000, 0.0000317900000000, -0.0023746100000000 ] - [ 0.0000838200000000, -0.0001279200000000, -0.0001291700000000 ] - [ 0.0000459700000000, -0.0000588100000000, 0.0000037700000000 ] - [ 0.0000763600000000, 0.0000757200000000, -0.0001387900000000 ] - [ -0.0001701400000000, -0.0002553200000000, -0.0000413300000000 ] - [ 0.0001060400000000, -0.0000154400000000, 0.0005356400000000 ] - [ 0.0000954100000000, -0.0001631400000000, 0.0001789700000000 ] - [ 0.0001392100000000, -0.0007747100000000, -0.0049400900000000 ] - [ 0.0005186700000000, 0.0004681400000000, -0.0010790100000000 ] - [ -0.0001249400000000, -0.0000474100000000, 0.0009642900000000 ] - [ -0.0000204100000000, -0.0001518000000000, 0.0001606800000000 ] - [ -0.0004754900000000, -0.0000487000000000, -0.0013076400000000 ] - [ -0.0001068000000000, -0.0006055500000000, -0.0001088800000000 ] - [ 0.0008001200000000, -0.0007635400000000, 0.0000233400000000 ] - [ 0.0001080200000000, -0.0000299600000000, 0.0001451600000000 ] - [ -0.0000269600000000, 0.0000111000000000, -0.0002809500000000 ] - [ 0.0005082900000000, 0.0000911900000000, -0.0001762900000000 ] - [ -0.0000370000000000, -0.0000216200000000, 0.0001072100000000 ] - [ 0.0005839800000000, 0.0001246600000000, -0.0002587300000000 ] - [ 0.0001956800000000, 0.0002445100000000, 0.0001229300000000 ] - [ 0.0000762100000000, -0.0000987000000000, 0.0000308200000000 ] - [ 0.0000602400000000, -0.0000954900000000, -0.0001716400000000 ] - [ -0.0005831700000000, 0.0005832900000000, 0.0004664100000000 ] - [ -0.0000017500000000, -0.0001068200000000, 0.0000711000000000 ] - [ -0.0007625700000000, 0.0005862100000000, -0.0010224800000000 ] - [ 0.0001402300000000, 0.0006417700000000, 0.0001164800000000 ] - [ -0.0000477300000000, 0.0000228100000000, 0.0002226700000000 ] - [ 0.0000118800000000, 0.0000965900000000, 0.0001583000000000 ] - [ -0.0000272500000000, -0.0000326400000000, -0.0001248600000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008172800000000, 0.0001750700000000, 0.0006565600000000 ] - [ -0.0010608500000000, 0.0000894300000000, -0.0002435700000000 ] - [ 0.0011477200000000, -0.0000577900000000, 0.0002241300000000 ] - [ 0.0006648200000000, -0.0002349500000000, 0.0000327500000000 ] - [ 0.0000780600000000, 0.0004421700000000, -0.0004668100000000 ] - [ -0.0002125800000000, -0.0000540600000000, -0.0000349200000000 ] - [ 0.0339263700000000, 0.0220379600000000, 0.0220338400000000 ] - [ -0.0004220600000000, -0.0000624300000000, -0.0000809200000000 ] - [ 0.0005677700000000, -0.0000462000000000, 0.0000296600000000 ] - [ 0.0000592000000000, 0.0000733900000000, -0.0002555400000000 ] - [ -0.0003680500000000, 0.0002053200000000, 0.0002543700000000 ] - [ -0.0007431900000000, 0.0001320300000000, 0.0002961100000000 ] - [ 0.0005869600000000, 0.0002309600000000, -0.0002129200000000 ] - [ 0.0011267700000000, 0.0002780500000000, -0.0003327500000000 ] - [ 0.0002765100000000, 0.0000411600000000, -0.0000291500000000 ] - [ 0.0003382200000000, -0.0000680500000000, 0.0001128700000000 ] - [ 0.0001210200000000, -0.0002371000000000, 0.0002764700000000 ] - [ -0.0518371500000000, -0.0295273700000000, -0.0295394300000000 ] - [ 0.0006544600000000, 0.0001718900000000, -0.0002234200000000 ] - [ 0.0001392800000000, 0.0000360300000000, 0.0001618700000000 ] - [ -0.0002241300000000, -0.0001463600000000, 0.0000392500000000 ] - [ 0.0001366900000000, 0.0000057700000000, -0.0001059700000000 ] - [ -0.0003434700000000, 0.0002362600000000, -0.0000939300000000 ] - [ -0.0004785900000000, 0.0004145400000000, 0.0000718800000000 ] - [ 0.0007396900000000, 0.0002698400000000, -0.0002511400000000 ] - [ 0.0007873200000000, -0.0005915500000000, -0.0004326300000000 ] - [ 0.0016589000000000, -0.0002402900000000, 0.0002450800000000 ] - [ -0.0007746900000000, -0.0002901900000000, -0.0004139900000000 ] - [ -0.0004590400000000, 0.0003104000000000, -0.0002596600000000 ] - [ 0.0000076500000000, -0.0001092100000000, 0.0003119300000000 ] - [ -0.0001887700000000, -0.0004440200000000, 0.0003049900000000 ] - [ 0.0000753500000000, -0.0002830400000000, 0.0006358000000000 ] - [ 0.0001838300000000, -0.0000622600000000, 0.0001325200000000 ] - [ 0.0001820400000000, 0.0001574800000000, -0.0000739800000000 ] - [ 0.0000792700000000, 0.0000631500000000, 0.0000724400000000 ] - [ 0.0048946800000000, 0.0074289500000000, 0.0005541800000000 ] - [ -0.0032873200000000, -0.0005364100000000, -0.0004787200000000 ] - [ 0.0047455800000000, 0.0004951700000000, 0.0074273200000000 ] - [ 0.0000675100000000, 0.0000222300000000, -0.0000028300000000 ] - [ -0.0001916600000000, 0.0000745700000000, 0.0000396600000000 ] - [ -0.0001402200000000, -0.0007376800000000, -0.0007619300000000 ] - [ -0.0001449200000000, 0.0000952500000000, -0.0000227700000000 ] - [ 0.0000273400000000, -0.0000200300000000, -0.0000542900000000 ] - [ -0.0001346100000000, -0.0001137400000000, 0.0000586700000000 ] - [ 0.0041567600000000, -0.0001301500000000, -0.0004103500000000 ] - [ 0.0010537300000000, 0.0003286200000000, -0.0002257700000000 ] - [ 0.0013459800000000, -0.0002105100000000, 0.0002553700000000 ] - [ -0.0001586700000000, -0.0002501700000000, -0.0002218700000000 ] - [ 0.0000112500000000, -0.0000849600000000, 0.0000074300000000 ] - [ 0.0000787500000000, 0.0001073000000000, -0.0000019800000000 ] - [ -0.0001288900000000, -0.0000486100000000, -0.0000115100000000 ] - [ -0.0000570100000000, -0.0000197000000000, -0.0000261600000000 ] - [ -0.0001567100000000, -0.0000524200000000, -0.0000238800000000 ] - [ -0.0002279600000000, -0.0000141300000000, 0.0000022500000000 ] - [ -0.0010419200000000, -0.0000529900000000, 0.0000819200000000 ] - [ -0.0009044800000000, 0.0002328500000000, 0.0000618400000000 ] - [ -0.0002690200000000, 0.0004215200000000, 0.0004891000000000 ] - [ 0.0002849200000000, 0.0000190800000000, -0.0002044900000000 ] - [ -0.0000417100000000, 0.0007430600000000, -0.0001261700000000 ] - [ 0.0001325400000000, -0.0006194500000000, 0.0001757600000000 ] - [ 0.0002501900000000, 0.0001250300000000, -0.0006258500000000 ] - [ 0.0001227500000000, -0.0001000100000000, -0.0000021800000000 ] - [ 0.0002184200000000, -0.0001435000000000, 0.0006552500000000 ] - [ 0.0003766900000000, 0.0001677400000000, -0.0004837900000000 ] - [ 0.0007997000000000, 0.0001718500000000, 0.0000025200000000 ] - [ -0.0002686200000000, 0.0001857800000000, -0.0000993400000000 ] - [ -0.0003876700000000, 0.0000285800000000, -0.0000645900000000 ] - [ -0.0002474400000000, -0.0000132500000000, -0.0000379600000000 ] - [ -0.0000310100000000, -0.0002117600000000, 0.0001423000000000 ] - [ 0.0000748600000000, -0.0000906600000000, -0.0000028300000000 ] - [ 0.0000669900000000, 0.0000264600000000, -0.0001061000000000 ] - [ 0.0035031400000000, -0.0001399700000000, 0.0012000100000000 ]- atom: 18 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008195300000000, -0.0001682400000000, -0.0006531900000000 ] - [ 0.0010602500000000, -0.0000958800000000, 0.0002429500000000 ] - [ -0.0011473400000000, 0.0000631200000000, -0.0002257800000000 ] - [ -0.0006671500000000, 0.0002282300000000, -0.0000273200000000 ] - [ -0.0000784100000000, -0.0004375700000000, 0.0004614700000000 ] - [ 0.0002233700000000, 0.0000564000000000, 0.0000378200000000 ] - [ -0.0344433300000000, -0.0228607900000000, -0.0228648600000000 ] - [ 0.0004217000000000, 0.0000615000000000, 0.0000825700000000 ] - [ -0.0004796400000000, 0.0000292300000000, -0.0000296000000000 ] - [ -0.0000440500000000, 0.0000118400000000, 0.0002555600000000 ] - [ 0.0002819300000000, -0.0002035700000000, -0.0002399400000000 ] - [ 0.0008346900000000, -0.0001299600000000, -0.0003089800000000 ] - [ -0.0005863700000000, -0.0002160000000000, 0.0001251000000000 ] - [ -0.0011249400000000, -0.0002902200000000, 0.0002443900000000 ] - [ -0.0002924500000000, -0.0000422300000000, -0.0000585500000000 ] - [ -0.0003530100000000, 0.0000662800000000, -0.0000281200000000 ] - [ -0.0001041000000000, 0.0002301300000000, -0.0001829800000000 ] - [ 0.0523035300000000, 0.0302270400000000, 0.0302160500000000 ] - [ -0.0005668500000000, -0.0001540900000000, 0.0002237600000000 ] - [ -0.0001228400000000, -0.0001233800000000, -0.0001607400000000 ] - [ 0.0002282900000000, 0.0000642600000000, -0.0000531600000000 ] - [ -0.0002332000000000, -0.0000260700000000, 0.0000980300000000 ] - [ 0.0003438100000000, -0.0001491400000000, 0.0001094600000000 ] - [ 0.0004784900000000, -0.0005071900000000, -0.0000503200000000 ] - [ -0.0008302100000000, -0.0002438900000000, 0.0002531000000000 ] - [ -0.0007850000000000, 0.0006015300000000, 0.0005152800000000 ] - [ -0.0016555200000000, 0.0002284100000000, -0.0001607700000000 ] - [ 0.0006918600000000, 0.0002862100000000, 0.0003998200000000 ] - [ 0.0005463400000000, -0.0003092600000000, 0.0002749600000000 ] - [ -0.0000249300000000, 0.0002020800000000, -0.0003123800000000 ] - [ 0.0001723200000000, 0.0003567400000000, -0.0003011200000000 ] - [ -0.0000560400000000, 0.0002830400000000, -0.0007222600000000 ] - [ -0.0000635900000000, -0.0000610100000000, -0.0000029700000000 ] - [ -0.0000631800000000, -0.0000270900000000, -0.0000498800000000 ] - [ -0.0002075600000000, 0.0000615700000000, 0.0000502400000000 ] - [ -0.0048043400000000, -0.0073815000000000, -0.0006768800000000 ] - [ 0.0031711300000000, 0.0006942100000000, 0.0006356600000000 ] - [ -0.0046584500000000, -0.0006195100000000, -0.0073835200000000 ] - [ -0.0001985300000000, -0.0001427000000000, -0.0001197000000000 ] - [ 0.0001993200000000, 0.0000208700000000, -0.0000586900000000 ] - [ 0.0001569600000000, 0.0007586700000000, 0.0007851900000000 ] - [ 0.0001283600000000, -0.0000782500000000, 0.0000040300000000 ] - [ 0.0000163400000000, -0.0000241200000000, 0.0000091200000000 ] - [ 0.0001111600000000, 0.0000901400000000, -0.0000360500000000 ] - [ -0.0043358800000000, 0.0001581600000000, 0.0004384300000000 ] - [ -0.0010720000000000, -0.0003480400000000, 0.0002425900000000 ] - [ -0.0013667400000000, 0.0002277400000000, -0.0002685500000000 ] - [ 0.0001738400000000, 0.0002587200000000, 0.0002387700000000 ] - [ 0.0000032100000000, 0.0000658600000000, 0.0000741700000000 ] - [ -0.0000671500000000, -0.0000898900000000, -0.0000758800000000 ] - [ 0.0001138100000000, 0.0001235900000000, 0.0000281600000000 ] - [ 0.0000783700000000, 0.0001108400000000, 0.0000018100000000 ] - [ 0.0002412800000000, 0.0000736600000000, 0.0000053900000000 ] - [ 0.0001494400000000, -0.0000000100000000, -0.0000170600000000 ] - [ 0.0010290800000000, -0.0000227700000000, -0.0001014100000000 ] - [ 0.0008914700000000, -0.0001504900000000, -0.0000412400000000 ] - [ 0.0002842100000000, -0.0004882800000000, -0.0004598400000000 ] - [ -0.0002115300000000, 0.0000048100000000, 0.0001887600000000 ] - [ 0.0000566800000000, -0.0007299800000000, 0.0000459100000000 ] - [ -0.0001139400000000, 0.0006056100000000, -0.0000975300000000 ] - [ -0.0003277200000000, -0.0001425700000000, 0.0006127300000000 ] - [ -0.0001475400000000, 0.0000841100000000, -0.0000704300000000 ] - [ -0.0002979100000000, 0.0001623600000000, -0.0006416000000000 ] - [ -0.0002995800000000, -0.0001953400000000, 0.0004870200000000 ] - [ -0.0008228400000000, -0.0001554700000000, 0.0000674000000000 ] - [ 0.0001914000000000, -0.0001668800000000, 0.0001127300000000 ] - [ 0.0004789400000000, -0.0000505700000000, 0.0000829700000000 ] - [ 0.0002319500000000, -0.0000668700000000, 0.0000204400000000 ] - [ 0.0000515300000000, 0.0001225400000000, -0.0001211300000000 ] - [ -0.0001030100000000, 0.0001086200000000, 0.0000932200000000 ] - [ -0.0000884600000000, -0.0000426700000000, 0.0000173700000000 ] - [ -0.0033192700000000, 0.0002133300000000, -0.0011800000000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020300200000000, 0.0013634100000000, -0.0015823700000000 ] - [ 0.0001954000000000, 0.0000342500000000, -0.0000222200000000 ] - [ -0.0001486700000000, 0.0000328600000000, 0.0001080700000000 ] - [ -0.0002714200000000, -0.0002718500000000, 0.0003447700000000 ] - [ 0.0003753600000000, -0.0000639600000000, 0.0000227100000000 ] - [ 0.0002206600000000, 0.0002174000000000, 0.0001427100000000 ] - [ 0.0001932100000000, 0.0037790100000000, 0.0037188900000000 ] - [ -0.0002088700000000, 0.0000424400000000, 0.0001995900000000 ] - [ -0.0000976900000000, -0.0005871900000000, 0.0007705600000000 ] - [ 0.0002406400000000, 0.0002691400000000, -0.0002106800000000 ] - [ 0.0009310000000000, -0.0011221600000000, -0.0003137100000000 ] - [ 0.0000608500000000, 0.0001111200000000, -0.0001143700000000 ] - [ 0.0023339900000000, -0.0002752700000000, -0.0000684100000000 ] - [ -0.0003383000000000, 0.0000193500000000, -0.0000463600000000 ] - [ 0.0001802400000000, 0.0000831500000000, -0.0000237300000000 ] - [ 0.0001547300000000, 0.0001430600000000, -0.0003095600000000 ] - [ -0.0005305100000000, 0.0001359600000000, -0.0000183600000000 ] - [ -0.0002241100000000, -0.0008152500000000, -0.0007888200000000 ] - [ -0.0000435800000000, 0.0000134900000000, 0.0000920300000000 ] - [ 0.0003823700000000, -0.0000072200000000, 0.0000615400000000 ] - [ 0.0001101100000000, 0.0000923500000000, 0.0001160200000000 ] - [ -0.0010374400000000, -0.0005530100000000, -0.0000703000000000 ] - [ 0.0001009600000000, 0.0000260200000000, -0.0000432900000000 ] - [ -0.0000077900000000, -0.0000214000000000, -0.0000132300000000 ] - [ -0.0001927400000000, 0.0000082200000000, 0.0000807600000000 ] - [ -0.0008444200000000, 0.0002190800000000, 0.0007027200000000 ] - [ -0.0000527400000000, 0.0001037900000000, 0.0002056900000000 ] - [ 0.0000010500000000, -0.0000158700000000, -0.0000394800000000 ] - [ 0.0001266000000000, 0.0000160600000000, 0.0000418100000000 ] - [ -0.0002846100000000, 0.0000038300000000, 0.0001958100000000 ] - [ -0.0002558400000000, -0.0000950300000000, 0.0001505300000000 ] - [ -0.0002235400000000, -0.0000252900000000, 0.0000561700000000 ] - [ -0.0000799400000000, -0.0000510900000000, 0.0000663300000000 ] - [ -0.0000973300000000, -0.0000200400000000, -0.0000180400000000 ] - [ -0.0000825700000000, -0.0000076600000000, 0.0000345600000000 ] - [ 0.0011087800000000, 0.0003395500000000, 0.0001069400000000 ] - [ 0.0042662900000000, 0.0003328600000000, 0.0003164000000000 ] - [ 0.0014010500000000, 0.0003897200000000, 0.0004206700000000 ] - [ -0.0002406800000000, -0.0002882000000000, -0.0002671500000000 ] - [ -0.0000375500000000, 0.0005042400000000, 0.0001353400000000 ] - [ -0.0127545400000000, -0.0038711800000000, -0.0038992000000000 ] - [ -0.0001126900000000, 0.0000445800000000, 0.0000406200000000 ] - [ 0.0002434500000000, -0.0000034800000000, 0.0000940500000000 ] - [ -0.0001126200000000, 0.0000256600000000, -0.0000511200000000 ] - [ -0.0002809200000000, 0.0001073200000000, 0.0001356100000000 ] - [ 0.0001973500000000, 0.0003615900000000, -0.0000646600000000 ] - [ 0.0003074600000000, -0.0000936600000000, 0.0003618100000000 ] - [ 0.0000894100000000, 0.0000875200000000, 0.0000199500000000 ] - [ -0.0004308600000000, 0.0000924300000000, 0.0000766500000000 ] - [ -0.0001113900000000, 0.0000241700000000, -0.0000148500000000 ] - [ 0.0002057800000000, 0.0011200300000000, 0.0001007800000000 ] - [ 0.0002178800000000, 0.0001619900000000, -0.0000910800000000 ] - [ 0.0008194700000000, -0.0000620200000000, 0.0011056800000000 ] - [ 0.0001035900000000, 0.0000205600000000, 0.0000727100000000 ] - [ -0.0000685700000000, -0.0003042800000000, -0.0008300600000000 ] - [ 0.0004888400000000, -0.0016105400000000, -0.0001387800000000 ] - [ 0.0007787600000000, -0.0001583400000000, 0.0000985300000000 ] - [ 0.0012198000000000, 0.0002344600000000, -0.0016732400000000 ] - [ -0.0002369200000000, 0.0001158200000000, 0.0000537400000000 ] - [ -0.0007124700000000, -0.0000950400000000, 0.0001289700000000 ] - [ -0.0003415700000000, 0.0002084500000000, -0.0002788600000000 ] - [ 0.0008831500000000, -0.0008490000000000, 0.0002485400000000 ] - [ -0.0001402500000000, 0.0000439000000000, 0.0001834600000000 ] - [ 0.0000122100000000, 0.0000355800000000, 0.0001391500000000 ] - [ 0.0000711800000000, 0.0001528700000000, 0.0000762800000000 ] - [ 0.0000827200000000, -0.0000417800000000, -0.0000506300000000 ] - [ 0.0000436800000000, 0.0000100800000000, 0.0000305600000000 ] - [ -0.0001201000000000, 0.0000926200000000, -0.0000215700000000 ] - [ 0.0001544700000000, 0.0000749500000000, 0.0000632000000000 ] - [ 0.0000538600000000, 0.0000301100000000, 0.0000301000000000 ] - [ 0.0000600600000000, -0.0000279600000000, -0.0000726600000000 ] - [ 0.0002768300000000, 0.0000127100000000, -0.0000142200000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020489300000000, -0.0013590400000000, 0.0015722000000000 ] - [ -0.0001930600000000, -0.0000373100000000, 0.0000166400000000 ] - [ 0.0001514000000000, -0.0000369200000000, -0.0001136200000000 ] - [ 0.0002656100000000, 0.0002688200000000, -0.0003419300000000 ] - [ -0.0003698700000000, 0.0000628700000000, -0.0000300700000000 ] - [ -0.0002191500000000, -0.0002253600000000, -0.0001482500000000 ] - [ -0.0001969800000000, -0.0037457300000000, -0.0036899700000000 ] - [ 0.0002224900000000, -0.0000574200000000, -0.0001984900000000 ] - [ 0.0001852500000000, 0.0005746900000000, -0.0007877600000000 ] - [ -0.0002243800000000, -0.0001949900000000, 0.0002094100000000 ] - [ -0.0010148100000000, 0.0011019000000000, 0.0003233200000000 ] - [ 0.0000266800000000, -0.0001182000000000, 0.0000957000000000 ] - [ -0.0025035300000000, 0.0002595000000000, 0.0000348900000000 ] - [ 0.0003478700000000, -0.0000346000000000, -0.0000382300000000 ] - [ -0.0001914100000000, -0.0000857300000000, -0.0000636800000000 ] - [ -0.0001659300000000, -0.0001521500000000, 0.0003874500000000 ] - [ 0.0005490300000000, -0.0001371400000000, 0.0000942300000000 ] - [ 0.0001097100000000, 0.0006873100000000, 0.0006630700000000 ] - [ 0.0001273500000000, -0.0000047900000000, -0.0000932300000000 ] - [ -0.0003663900000000, -0.0000800600000000, -0.0000656100000000 ] - [ -0.0000997900000000, -0.0001780600000000, -0.0001346300000000 ] - [ 0.0009619200000000, 0.0005330400000000, 0.0000667800000000 ] - [ -0.0000914300000000, 0.0000483200000000, 0.0000496200000000 ] - [ 0.0000085900000000, -0.0000642700000000, 0.0000205800000000 ] - [ 0.0001182300000000, 0.0000005300000000, -0.0000898800000000 ] - [ 0.0008531200000000, -0.0002137400000000, -0.0006266500000000 ] - [ 0.0000526100000000, -0.0001207200000000, -0.0001318100000000 ] - [ -0.0000752800000000, 0.0000154900000000, 0.0000221400000000 ] - [ -0.0000415600000000, -0.0000164800000000, -0.0000331500000000 ] - [ 0.0002787200000000, 0.0000722200000000, -0.0002054900000000 ] - [ 0.0002496400000000, 0.0000098000000000, -0.0001491300000000 ] - [ 0.0002412300000000, 0.0000181200000000, -0.0001407100000000 ] - [ 0.0002046900000000, -0.0000752100000000, 0.0000498400000000 ] - [ 0.0002216400000000, 0.0001362700000000, -0.0001074400000000 ] - [ -0.0000354100000000, 0.0001243200000000, 0.0000821200000000 ] - [ -0.0009845000000000, -0.0002280900000000, -0.0002375900000000 ] - [ -0.0041829300000000, -0.0001658400000000, -0.0001516100000000 ] - [ -0.0012788900000000, -0.0005152900000000, -0.0002986600000000 ] - [ 0.0001228600000000, 0.0001626400000000, 0.0001423200000000 ] - [ 0.0000408100000000, -0.0004235200000000, -0.0001520600000000 ] - [ 0.0124762500000000, 0.0041870600000000, 0.0041533000000000 ] - [ 0.0000911800000000, -0.0000249200000000, -0.0000721200000000 ] - [ -0.0002128900000000, -0.0000299300000000, -0.0001254000000000 ] - [ 0.0000904600000000, -0.0000563100000000, 0.0000735300000000 ] - [ 0.0003132400000000, -0.0001393200000000, -0.0001691000000000 ] - [ -0.0002205600000000, -0.0003922900000000, 0.0000876900000000 ] - [ -0.0003311100000000, 0.0001164600000000, -0.0003926800000000 ] - [ -0.0000596300000000, -0.0000672100000000, 0.0000031400000000 ] - [ 0.0004543100000000, -0.0001265600000000, -0.0000074400000000 ] - [ 0.0001349300000000, 0.0000028700000000, -0.0000628100000000 ] - [ -0.0002338400000000, -0.0010622600000000, -0.0000871500000000 ] - [ -0.0001830300000000, -0.0000952900000000, 0.0000674900000000 ] - [ -0.0007485800000000, 0.0000768300000000, -0.0011525600000000 ] - [ -0.0001729700000000, -0.0000433400000000, -0.0001110300000000 ] - [ 0.0000560800000000, 0.0002276000000000, 0.0007971000000000 ] - [ -0.0005028700000000, 0.0016913300000000, 0.0001653700000000 ] - [ -0.0007554500000000, 0.0000821700000000, -0.0000689400000000 ] - [ -0.0011375700000000, -0.0002045700000000, 0.0016341900000000 ] - [ 0.0002760900000000, -0.0001017700000000, -0.0001312900000000 ] - [ 0.0007508300000000, 0.0000730000000000, -0.0000641800000000 ] - [ 0.0002740700000000, -0.0002483600000000, 0.0002572400000000 ] - [ -0.0009060800000000, 0.0008172300000000, -0.0003226700000000 ] - [ 0.0000698300000000, -0.0000139600000000, -0.0001692200000000 ] - [ 0.0000622400000000, -0.0000728200000000, -0.0001267300000000 ] - [ -0.0000996900000000, -0.0001403000000000, -0.0000097500000000 ] - [ -0.0001478900000000, 0.0000566200000000, 0.0000778400000000 ] - [ 0.0000322900000000, -0.0000340600000000, -0.0000029900000000 ] - [ 0.0000929700000000, -0.0001684700000000, -0.0000025800000000 ] - [ -0.0001187000000000, -0.0001528000000000, -0.0000495800000000 ] - [ -0.0000680400000000, -0.0000033700000000, 0.0000387500000000 ] - [ -0.0000745000000000, -0.0000101200000000, -0.0000062100000000 ] - [ -0.0002565800000000, 0.0000516700000000, -0.0000218800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003069100000000, 0.0000170700000000, -0.0000364100000000 ] - [ 0.0001787700000000, 0.0000491300000000, -0.0000017400000000 ] - [ 0.0001121900000000, 0.0000077200000000, -0.0003839700000000 ] - [ 0.0001783200000000, -0.0035586000000000, 0.0041868900000000 ] - [ 0.0004601200000000, 0.0000486900000000, 0.0001249200000000 ] - [ 0.0022041100000000, 0.0014797700000000, 0.0013640700000000 ] - [ -0.0001131800000000, 0.0000871600000000, 0.0001166300000000 ] - [ -0.0002639200000000, -0.0002720100000000, -0.0001779700000000 ] - [ -0.0000067600000000, 0.0000613000000000, -0.0000913800000000 ] - [ 0.0003268300000000, 0.0002774500000000, -0.0001300900000000 ] - [ 0.0013263100000000, -0.0004807500000000, 0.0001345600000000 ] - [ 0.0001211400000000, 0.0000359900000000, -0.0000047700000000 ] - [ -0.0000927000000000, 0.0000740300000000, 0.0001507300000000 ] - [ -0.0000831300000000, -0.0000420000000000, -0.0000702900000000 ] - [ 0.0001686000000000, 0.0005766300000000, -0.0001374300000000 ] - [ 0.0001999100000000, 0.0000649600000000, 0.0000667100000000 ] - [ -0.0004107500000000, 0.0000923000000000, -0.0000344200000000 ] - [ -0.0000356700000000, -0.0000847200000000, -0.0001316700000000 ] - [ 0.0000279900000000, -0.0001028800000000, 0.0000889100000000 ] - [ 0.0002933200000000, 0.0000364800000000, 0.0000856400000000 ] - [ 0.0010843900000000, -0.0005245700000000, 0.0003962200000000 ] - [ -0.0002923600000000, -0.0000232800000000, -0.0000254000000000 ] - [ 0.0010406400000000, -0.0006114400000000, -0.0012581500000000 ] - [ -0.0000799700000000, 0.0001752500000000, 0.0001834900000000 ] - [ -0.0001149400000000, -0.0000059300000000, -0.0000294700000000 ] - [ -0.0001215800000000, 0.0000717000000000, 0.0000966200000000 ] - [ 0.0000024900000000, -0.0000270500000000, 0.0000227700000000 ] - [ 0.0000891700000000, 0.0001066200000000, 0.0000682900000000 ] - [ -0.0001113500000000, 0.0007916400000000, -0.0007637200000000 ] - [ -0.0002021700000000, 0.0000204300000000, 0.0001022900000000 ] - [ -0.0003180300000000, -0.0003192500000000, 0.0000040300000000 ] - [ -0.0002320400000000, -0.0001368600000000, 0.0000338400000000 ] - [ -0.0009506300000000, 0.0000375900000000, -0.0005634300000000 ] - [ -0.0008144900000000, -0.0005570600000000, 0.0001395100000000 ] - [ -0.0003061700000000, -0.0006751800000000, -0.0005886300000000 ] - [ 0.0001853200000000, 0.0000633200000000, -0.0001014200000000 ] - [ 0.0000427500000000, -0.0000655500000000, -0.0001036100000000 ] - [ 0.0001802200000000, -0.0000291300000000, 0.0000559700000000 ] - [ 0.0032770000000000, 0.0000810900000000, -0.0005516900000000 ] - [ 0.0049853800000000, -0.0000696100000000, 0.0006469600000000 ] - [ -0.0005018600000000, -0.0000358400000000, -0.0001995800000000 ] - [ -0.0000275400000000, 0.0008676600000000, -0.0003035300000000 ] - [ 0.0008232300000000, -0.0000980100000000, -0.0001641300000000 ] - [ 0.0005273900000000, -0.0001194400000000, 0.0016829300000000 ] - [ -0.0000671000000000, -0.0000418600000000, 0.0000639800000000 ] - [ 0.0000960600000000, -0.0001105100000000, 0.0000121400000000 ] - [ 0.0001037800000000, 0.0000444300000000, -0.0000024500000000 ] - [ 0.0003234100000000, 0.0001360600000000, 0.0001221200000000 ] - [ -0.0170034300000000, 0.0025532800000000, -0.0024881700000000 ] - [ -0.0006728100000000, -0.0000392800000000, -0.0000530900000000 ] - [ 0.0002239800000000, 0.0002303500000000, -0.0010501900000000 ] - [ 0.0002004600000000, 0.0000485000000000, 0.0000890700000000 ] - [ 0.0008579800000000, -0.0010483200000000, -0.0002256100000000 ] - [ 0.0001144300000000, 0.0000904900000000, -0.0000209000000000 ] - [ -0.0000563300000000, -0.0000755500000000, 0.0000474300000000 ] - [ -0.0000490400000000, -0.0000059200000000, -0.0000383500000000 ] - [ 0.0002039600000000, -0.0000522200000000, 0.0000204300000000 ] - [ 0.0006853500000000, 0.0011715200000000, 0.0001628900000000 ] - [ -0.0001976300000000, -0.0000701600000000, 0.0000646500000000 ] - [ -0.0001508600000000, 0.0001973900000000, 0.0000709300000000 ] - [ -0.0000758700000000, -0.0001729200000000, -0.0001434900000000 ] - [ 0.0002030800000000, 0.0000757200000000, 0.0002870700000000 ] - [ -0.0003918000000000, 0.0003471200000000, -0.0001494800000000 ] - [ 0.0000402700000000, -0.0000417300000000, 0.0000187100000000 ] - [ 0.0001076500000000, -0.0000176700000000, 0.0001275500000000 ] - [ 0.0002163900000000, -0.0001392500000000, 0.0000472800000000 ] - [ 0.0000935500000000, 0.0000708700000000, 0.0000435500000000 ] - [ -0.0001024200000000, -0.0000027600000000, 0.0001407400000000 ] - [ 0.0003274700000000, -0.0000285100000000, -0.0000698500000000 ] - [ 0.0004666400000000, -0.0004522200000000, -0.0000618800000000 ] - [ 0.0013074700000000, 0.0000115300000000, -0.0009078400000000 ] - [ 0.0001321000000000, 0.0000368100000000, -0.0000063700000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003052300000000, -0.0000133400000000, 0.0000376900000000 ] - [ -0.0001745400000000, -0.0000482600000000, 0.0000017800000000 ] - [ -0.0001231700000000, 0.0000011100000000, 0.0003889700000000 ] - [ -0.0001842200000000, 0.0035296800000000, -0.0041487300000000 ] - [ -0.0004600700000000, -0.0000501200000000, -0.0001239800000000 ] - [ -0.0022219300000000, -0.0014756400000000, -0.0013535800000000 ] - [ 0.0001165200000000, -0.0000827900000000, -0.0001139700000000 ] - [ 0.0002746100000000, 0.0002724600000000, 0.0001836700000000 ] - [ 0.0000898800000000, -0.0000725200000000, 0.0000860300000000 ] - [ -0.0003119100000000, -0.0001905900000000, 0.0001278500000000 ] - [ -0.0013984600000000, 0.0004754100000000, -0.0001260500000000 ] - [ -0.0000325500000000, -0.0000341100000000, -0.0000101600000000 ] - [ 0.0000891200000000, -0.0000644100000000, -0.0002242700000000 ] - [ 0.0000813400000000, 0.0000285700000000, -0.0000135100000000 ] - [ -0.0001820400000000, -0.0005756200000000, 0.0000526000000000 ] - [ -0.0002144600000000, -0.0000621600000000, 0.0000140800000000 ] - [ 0.0004286600000000, -0.0000894800000000, 0.0001184900000000 ] - [ -0.0000844900000000, -0.0000386700000000, 0.0000061500000000 ] - [ 0.0000550000000000, 0.0001188100000000, -0.0000877900000000 ] - [ -0.0002835000000000, -0.0001148600000000, -0.0000968600000000 ] - [ -0.0010882800000000, 0.0004488600000000, -0.0004154600000000 ] - [ 0.0002079800000000, 0.0000097300000000, 0.0000233700000000 ] - [ -0.0010359200000000, 0.0006895000000000, 0.0012547700000000 ] - [ 0.0000808300000000, -0.0002577200000000, -0.0001687400000000 ] - [ 0.0000332800000000, 0.0000200800000000, 0.0000264200000000 ] - [ 0.0001192000000000, -0.0000547500000000, -0.0000087700000000 ] - [ -0.0000067800000000, 0.0000160700000000, 0.0000590300000000 ] - [ -0.0001672300000000, -0.0001047900000000, -0.0000840000000000 ] - [ 0.0002032000000000, -0.0007923000000000, 0.0007772800000000 ] - [ 0.0001902200000000, 0.0000687000000000, -0.0001030900000000 ] - [ 0.0003056200000000, 0.0002344000000000, -0.0000068600000000 ] - [ 0.0002482000000000, 0.0001374700000000, -0.0001184200000000 ] - [ 0.0010667000000000, -0.0001511900000000, 0.0006796600000000 ] - [ 0.0009313600000000, 0.0006717800000000, -0.0002569200000000 ] - [ 0.0001911300000000, 0.0007980600000000, 0.0007122800000000 ] - [ -0.0000604900000000, 0.0000677000000000, -0.0000168700000000 ] - [ -0.0001570900000000, 0.0001887100000000, 0.0002331300000000 ] - [ -0.0000466900000000, -0.0000859700000000, 0.0000632600000000 ] - [ -0.0035995800000000, -0.0002486400000000, 0.0004228200000000 ] - [ -0.0047650300000000, 0.0001212600000000, -0.0005904500000000 ] - [ 0.0004058000000000, -0.0000617500000000, 0.0001002700000000 ] - [ 0.0000067200000000, -0.0008481000000000, 0.0002800400000000 ] - [ -0.0007998600000000, 0.0000740100000000, 0.0001409400000000 ] - [ -0.0005481600000000, 0.0001000000000000, -0.0016712700000000 ] - [ 0.0000842200000000, 0.0000263000000000, -0.0000805300000000 ] - [ -0.0001172200000000, 0.0000924400000000, 0.0000080300000000 ] - [ -0.0001244200000000, -0.0000226800000000, -0.0000199600000000 ] - [ -0.0003020200000000, -0.0001141000000000, -0.0001004300000000 ] - [ 0.0170400900000000, -0.0024636500000000, 0.0026285200000000 ] - [ 0.0006895900000000, 0.0000701200000000, -0.0000241700000000 ] - [ -0.0002363800000000, -0.0001402700000000, 0.0010695400000000 ] - [ -0.0001741500000000, 0.0000303000000000, -0.0001039900000000 ] - [ -0.0007692900000000, 0.0010708900000000, 0.0002119200000000 ] - [ -0.0001908700000000, -0.0001029900000000, -0.0000047200000000 ] - [ 0.0000448600000000, -0.0000034600000000, -0.0000759600000000 ] - [ 0.0000444800000000, 0.0000717600000000, 0.0000583800000000 ] - [ -0.0001846200000000, -0.0000207800000000, -0.0000051000000000 ] - [ -0.0006200700000000, -0.0011446200000000, -0.0001696300000000 ] - [ 0.0002157900000000, 0.0000891800000000, -0.0001419600000000 ] - [ 0.0001738100000000, -0.0002036100000000, -0.0000058200000000 ] - [ -0.0000018000000000, 0.0001447200000000, 0.0001275300000000 ] - [ -0.0002306800000000, -0.0000900500000000, -0.0003685600000000 ] - [ 0.0003112900000000, -0.0003340700000000, 0.0001700300000000 ] - [ 0.0000349800000000, 0.0000204300000000, -0.0000040000000000 ] - [ -0.0001304800000000, 0.0000348200000000, -0.0000504000000000 ] - [ -0.0002876300000000, 0.0001545700000000, -0.0000234400000000 ] - [ -0.0000135100000000, -0.0000850000000000, -0.0000195400000000 ] - [ 0.0000809200000000, -0.0000694200000000, -0.0001555300000000 ] - [ -0.0003033900000000, -0.0000472600000000, 0.0000828200000000 ] - [ -0.0004778900000000, 0.0004765800000000, 0.0001406500000000 ] - [ -0.0013141100000000, -0.0000356000000000, 0.0008227700000000 ] - [ -0.0001151900000000, 0.0000408700000000, -0.0000172700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001618900000000, -0.0003777300000000, 0.0000653600000000 ] - [ 0.0000369000000000, 0.0003301900000000, -0.0001264700000000 ] - [ 0.0002550000000000, -0.0002324200000000, 0.0002129200000000 ] - [ -0.0035667600000000, -0.0006822900000000, -0.0037570200000000 ] - [ 0.0000451100000000, 0.0002781900000000, 0.0001076400000000 ] - [ 0.0002496000000000, -0.0002512400000000, -0.0003133400000000 ] - [ 0.0001059800000000, 0.0001841100000000, -0.0000383800000000 ] - [ -0.0011416100000000, 0.0021058100000000, -0.0011965400000000 ] - [ 0.0000176900000000, 0.0001672800000000, 0.0000182600000000 ] - [ -0.0001632000000000, -0.0009324300000000, 0.0005438400000000 ] - [ -0.0004936700000000, 0.0013050300000000, -0.0000827200000000 ] - [ 0.0000281700000000, 0.0001131300000000, -0.0000154000000000 ] - [ 0.0002356000000000, 0.0002378900000000, -0.0002534600000000 ] - [ -0.0000093500000000, -0.0001561200000000, -0.0000682200000000 ] - [ 0.0006235600000000, -0.0004639600000000, 0.0006058200000000 ] - [ 0.0005479300000000, -0.0009644700000000, -0.0001574100000000 ] - [ 0.0000234900000000, -0.0000543700000000, 0.0000572600000000 ] - [ -0.0001911300000000, -0.0001564400000000, -0.0000497500000000 ] - [ -0.0000878400000000, -0.0001855800000000, 0.0001714500000000 ] - [ 0.0003332100000000, 0.0027410800000000, 0.0004986700000000 ] - [ -0.0004756100000000, 0.0051490700000000, -0.0006527300000000 ] - [ 0.0000738900000000, 0.0002001300000000, 0.0000977400000000 ] - [ -0.0007706700000000, 0.0009846900000000, 0.0010728900000000 ] - [ 0.0001467700000000, -0.0000268200000000, -0.0002286500000000 ] - [ -0.0000089700000000, -0.0000987500000000, 0.0000201700000000 ] - [ 0.0000394800000000, 0.0001299500000000, 0.0000683400000000 ] - [ 0.0001383000000000, -0.0002179100000000, 0.0001835700000000 ] - [ -0.0000294200000000, 0.0000677200000000, -0.0000318800000000 ] - [ 0.0008434400000000, -0.0000093700000000, 0.0007358300000000 ] - [ 0.0000085300000000, -0.0002570200000000, -0.0000706900000000 ] - [ -0.0002427900000000, -0.0001698100000000, 0.0000437700000000 ] - [ -0.0000146600000000, -0.0001489800000000, -0.0000043500000000 ] - [ -0.0000265200000000, 0.0000720600000000, -0.0000736700000000 ] - [ 0.0001108200000000, 0.0001844000000000, -0.0000723400000000 ] - [ -0.0005408800000000, 0.0000196300000000, -0.0000933000000000 ] - [ -0.0000616400000000, 0.0000501500000000, 0.0000411000000000 ] - [ -0.0001587100000000, 0.0000216300000000, -0.0000412300000000 ] - [ 0.0000042700000000, -0.0002760200000000, 0.0001103100000000 ] - [ 0.0011307000000000, 0.0007618500000000, 0.0001184100000000 ] - [ -0.0001339700000000, 0.0012478500000000, -0.0004331100000000 ] - [ 0.0000929700000000, 0.0002464900000000, 0.0011135400000000 ] - [ 0.0008235500000000, 0.0009237600000000, -0.0002096700000000 ] - [ -0.0000490200000000, -0.0002424200000000, -0.0000009600000000 ] - [ -0.0001638500000000, -0.0007014700000000, -0.0001961100000000 ] - [ -0.0000129500000000, 0.0001879300000000, -0.0000589700000000 ] - [ -0.0000091700000000, 0.0002165300000000, 0.0000130500000000 ] - [ 0.0000307700000000, -0.0000805200000000, -0.0000704900000000 ] - [ -0.0000365700000000, 0.0000914300000000, 0.0000161900000000 ] - [ 0.0024742000000000, -0.0147556600000000, 0.0023092000000000 ] - [ 0.0000673400000000, 0.0014948000000000, 0.0011806800000000 ] - [ 0.0002349800000000, -0.0002904600000000, -0.0002133400000000 ] - [ -0.0000302000000000, -0.0000200800000000, 0.0000047600000000 ] - [ -0.0009657500000000, 0.0002111100000000, 0.0002363200000000 ] - [ -0.0001067100000000, 0.0001547600000000, 0.0000364000000000 ] - [ -0.0000707000000000, -0.0000827900000000, -0.0001418100000000 ] - [ -0.0000793000000000, 0.0002129300000000, 0.0001360500000000 ] - [ -0.0000037700000000, -0.0000511100000000, 0.0000654800000000 ] - [ 0.0011557300000000, 0.0004169700000000, 0.0003366000000000 ] - [ 0.0000898200000000, 0.0002223500000000, -0.0003811700000000 ] - [ 0.0001788200000000, -0.0001945900000000, -0.0000075000000000 ] - [ 0.0001104300000000, 0.0007301900000000, 0.0001504500000000 ] - [ -0.0000843400000000, -0.0002354200000000, -0.0001149100000000 ] - [ 0.0003180500000000, 0.0004055100000000, -0.0011435400000000 ] - [ 0.0001219400000000, 0.0002018400000000, -0.0000039300000000 ] - [ -0.0000171800000000, 0.0001132400000000, -0.0000367900000000 ] - [ -0.0001544900000000, -0.0001044700000000, -0.0000266200000000 ] - [ -0.0000758000000000, 0.0002856600000000, -0.0000776100000000 ] - [ 0.0000204800000000, -0.0000099900000000, 0.0000276500000000 ] - [ -0.0000892900000000, -0.0000094000000000, -0.0000160400000000 ] - [ -0.0004724600000000, 0.0002577000000000, 0.0000996600000000 ] - [ -0.0000328100000000, -0.0003931600000000, 0.0000206400000000 ] - [ 0.0000161400000000, 0.0001082000000000, -0.0000599200000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000279800000000, 0.0002675900000000, -0.0001527400000000 ] - [ -0.0001489900000000, -0.0003587600000000, -0.0000413000000000 ] - [ -0.0002675100000000, 0.0002479400000000, -0.0002339500000000 ] - [ 0.0035940400000000, 0.0006856800000000, 0.0037838600000000 ] - [ -0.0000841900000000, -0.0002748900000000, -0.0000854900000000 ] - [ -0.0002325900000000, 0.0002626900000000, 0.0003558400000000 ] - [ -0.0000874400000000, -0.0000351500000000, -0.0000859200000000 ] - [ 0.0012777400000000, -0.0019636800000000, 0.0012329800000000 ] - [ 0.0002181800000000, 0.0001110300000000, 0.0001357600000000 ] - [ 0.0002008300000000, 0.0010428300000000, -0.0005474500000000 ] - [ 0.0003865600000000, -0.0012986200000000, 0.0001114500000000 ] - [ 0.0000705300000000, -0.0001000200000000, -0.0000175300000000 ] - [ -0.0000896800000000, -0.0000554300000000, 0.0005405600000000 ] - [ -0.0000048100000000, 0.0001383000000000, -0.0000239200000000 ] - [ -0.0007862500000000, 0.0002669000000000, -0.0010384700000000 ] - [ -0.0005927300000000, 0.0009488700000000, 0.0002547400000000 ] - [ 0.0000080400000000, 0.0000322400000000, 0.0000492700000000 ] - [ 0.0000605300000000, 0.0000215400000000, -0.0000441500000000 ] - [ 0.0001715400000000, 0.0001957400000000, -0.0001369400000000 ] - [ -0.0003501600000000, -0.0026784300000000, -0.0004999500000000 ] - [ 0.0005235300000000, -0.0054686200000000, 0.0007071600000000 ] - [ -0.0001585100000000, -0.0002210500000000, -0.0000941200000000 ] - [ 0.0007253800000000, -0.0008795800000000, -0.0010406300000000 ] - [ -0.0000655700000000, -0.0001183500000000, 0.0002920100000000 ] - [ -0.0000806200000000, 0.0001256000000000, 0.0000639100000000 ] - [ 0.0003329900000000, 0.0000446100000000, 0.0001194000000000 ] - [ 0.0000764300000000, -0.0001693900000000, 0.0001165700000000 ] - [ -0.0000738300000000, -0.0000951600000000, 0.0000054700000000 ] - [ -0.0007484600000000, -0.0000048000000000, -0.0007087400000000 ] - [ -0.0000339700000000, 0.0003384600000000, 0.0000890500000000 ] - [ 0.0002283300000000, 0.0000677200000000, -0.0000413800000000 ] - [ 0.0000657100000000, 0.0002182200000000, -0.0001190800000000 ] - [ 0.0001590800000000, -0.0002675700000000, 0.0001478100000000 ] - [ -0.0000234100000000, -0.0001011900000000, -0.0001218000000000 ] - [ 0.0003552200000000, 0.0001139800000000, 0.0001696500000000 ] - [ -0.0001996300000000, -0.0000837000000000, 0.0000166400000000 ] - [ 0.0000428200000000, 0.0000563500000000, 0.0001758200000000 ] - [ 0.0000991800000000, 0.0001745700000000, 0.0000005600000000 ] - [ -0.0012412100000000, -0.0008593100000000, -0.0002757400000000 ] - [ 0.0001277200000000, -0.0011522200000000, 0.0004151000000000 ] - [ -0.0000264500000000, -0.0002482400000000, -0.0011497200000000 ] - [ -0.0008418500000000, -0.0009240800000000, 0.0001955000000000 ] - [ 0.0000534200000000, 0.0002160400000000, -0.0000182600000000 ] - [ 0.0002218200000000, 0.0006579100000000, 0.0002364800000000 ] - [ 0.0001430800000000, -0.0000756500000000, 0.0000493600000000 ] - [ -0.0000201700000000, -0.0002432300000000, 0.0000089300000000 ] - [ -0.0000614400000000, 0.0000887900000000, 0.0000771900000000 ] - [ -0.0000426100000000, -0.0001734100000000, -0.0000723800000000 ] - [ -0.0025157600000000, 0.0147317500000000, -0.0025557800000000 ] - [ -0.0000346000000000, -0.0014927500000000, -0.0012579600000000 ] - [ -0.0002371400000000, 0.0003235000000000, 0.0001987700000000 ] - [ 0.0000087100000000, 0.0000763100000000, -0.0000191600000000 ] - [ 0.0010280500000000, -0.0001914300000000, -0.0002587300000000 ] - [ 0.0000199300000000, -0.0001947400000000, -0.0000466400000000 ] - [ -0.0000262900000000, 0.0003579300000000, -0.0000617500000000 ] - [ 0.0000708300000000, -0.0000712500000000, -0.0002262200000000 ] - [ -0.0000246600000000, -0.0000039800000000, -0.0000764500000000 ] - [ -0.0010678400000000, -0.0003950000000000, -0.0003555700000000 ] - [ -0.0000507200000000, -0.0002082400000000, 0.0002918800000000 ] - [ -0.0000772200000000, 0.0000900200000000, 0.0000593800000000 ] - [ -0.0001877000000000, -0.0007599900000000, -0.0001659200000000 ] - [ 0.0000422300000000, 0.0001978700000000, 0.0000277400000000 ] - [ -0.0002925200000000, -0.0003995300000000, 0.0012302800000000 ] - [ -0.0000592700000000, -0.0002499000000000, 0.0000374400000000 ] - [ -0.0000323600000000, -0.0001027900000000, 0.0001021700000000 ] - [ -0.0000208900000000, 0.0001114300000000, 0.0001350400000000 ] - [ 0.0001378200000000, -0.0002384400000000, 0.0001964200000000 ] - [ -0.0000177400000000, -0.0000881600000000, -0.0000424100000000 ] - [ 0.0000981800000000, -0.0000882100000000, 0.0000336900000000 ] - [ 0.0004250100000000, -0.0002424500000000, 0.0000125800000000 ] - [ -0.0000088300000000, 0.0003739200000000, -0.0000916700000000 ] - [ -0.0000858300000000, -0.0000089200000000, 0.0000314800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000550200000000, -0.0001850800000000, 0.0003972800000000 ] - [ -0.0001196200000000, -0.0000642400000000, 0.0002847400000000 ] - [ -0.0015453500000000, 0.0016226600000000, 0.0021577200000000 ] - [ 0.0040730800000000, -0.0036274900000000, 0.0011498900000000 ] - [ -0.0000327300000000, -0.0001339200000000, -0.0003974200000000 ] - [ 0.0000775300000000, -0.0002488400000000, -0.0004446000000000 ] - [ -0.0000779100000000, 0.0000121700000000, 0.0003684500000000 ] - [ -0.0002334900000000, -0.0001139000000000, -0.0003802100000000 ] - [ -0.0000877200000000, 0.0000883800000000, -0.0004968800000000 ] - [ 0.0000181300000000, 0.0000468000000000, 0.0002046200000000 ] - [ -0.0000074000000000, -0.0000238800000000, 0.0033051600000000 ] - [ 0.0006768100000000, 0.0000699300000000, -0.0008547300000000 ] - [ 0.0002387900000000, -0.0000085600000000, -0.0003300400000000 ] - [ -0.0000034400000000, 0.0000127000000000, -0.0001177800000000 ] - [ -0.0001247000000000, 0.0005515800000000, 0.0001207100000000 ] - [ -0.0001042700000000, 0.0001710900000000, 0.0002648900000000 ] - [ 0.0000160600000000, -0.0000539300000000, 0.0002097100000000 ] - [ -0.0001069800000000, -0.0001414500000000, -0.0002717500000000 ] - [ 0.0001874600000000, 0.0002006300000000, -0.0002177600000000 ] - [ 0.0000709400000000, 0.0001458500000000, 0.0002141000000000 ] - [ 0.0004206000000000, -0.0009359800000000, 0.0011657500000000 ] - [ -0.0000288000000000, -0.0000739700000000, -0.0001950900000000 ] - [ -0.0005907900000000, 0.0003826700000000, 0.0035305200000000 ] - [ 0.0006764700000000, -0.0007296300000000, -0.0000202700000000 ] - [ 0.0000134600000000, -0.0000439300000000, -0.0001733800000000 ] - [ 0.0000710000000000, -0.0000067600000000, -0.0001464100000000 ] - [ -0.0000349300000000, 0.0000326300000000, -0.0001231000000000 ] - [ -0.0001214200000000, -0.0006523600000000, -0.0009107800000000 ] - [ -0.0007763600000000, 0.0007273500000000, -0.0002946800000000 ] - [ -0.0000969100000000, 0.0001119300000000, 0.0002018400000000 ] - [ 0.0002008300000000, 0.0001515300000000, 0.0002361500000000 ] - [ 0.0000092700000000, 0.0000127300000000, 0.0000461300000000 ] - [ 0.0000406800000000, -0.0000876100000000, 0.0003411700000000 ] - [ -0.0001332700000000, -0.0000791900000000, 0.0001904900000000 ] - [ -0.0005096700000000, -0.0000254000000000, 0.0003124600000000 ] - [ 0.0001199800000000, 0.0001457200000000, -0.0004997000000000 ] - [ -0.0000996800000000, -0.0000972100000000, -0.0001678400000000 ] - [ 0.0000000600000000, -0.0000926600000000, -0.0001183300000000 ] - [ -0.0002231000000000, -0.0000855200000000, 0.0002774000000000 ] - [ 0.0007840400000000, -0.0003772600000000, 0.0011634800000000 ] - [ 0.0000266400000000, 0.0010754300000000, 0.0008053600000000 ] - [ -0.0002953500000000, -0.0002511800000000, -0.0003020200000000 ] - [ 0.0001552400000000, 0.0000578900000000, -0.0000988300000000 ] - [ 0.0016548600000000, -0.0000806200000000, 0.0011969000000000 ] - [ -0.0001058900000000, 0.0001990800000000, 0.0002385700000000 ] - [ 0.0000242400000000, -0.0001098300000000, 0.0000272500000000 ] - [ -0.0000618100000000, -0.0001003900000000, 0.0001477500000000 ] - [ -0.0000320500000000, 0.0000282700000000, 0.0000003600000000 ] - [ -0.0026428900000000, 0.0024365800000000, -0.0143041300000000 ] - [ 0.0000224400000000, 0.0012108100000000, -0.0000402300000000 ] - [ -0.0010170200000000, -0.0000912100000000, 0.0007842000000000 ] - [ -0.0000528300000000, 0.0000090000000000, 0.0001163300000000 ] - [ -0.0000862700000000, 0.0001831900000000, -0.0003513200000000 ] - [ -0.0000066600000000, -0.0000126500000000, -0.0000788200000000 ] - [ 0.0000339900000000, -0.0000504400000000, 0.0001594000000000 ] - [ -0.0000409000000000, 0.0000645500000000, -0.0000152100000000 ] - [ 0.0000269600000000, -0.0000106200000000, -0.0000071600000000 ] - [ 0.0002880500000000, 0.0003639800000000, -0.0003921200000000 ] - [ -0.0000656700000000, -0.0003260800000000, 0.0003074400000000 ] - [ 0.0000572600000000, -0.0000544800000000, 0.0008077300000000 ] - [ -0.0000815700000000, -0.0001498700000000, -0.0000749800000000 ] - [ 0.0003143000000000, 0.0000944600000000, 0.0002968200000000 ] - [ -0.0002868700000000, -0.0010877800000000, 0.0006360800000000 ] - [ -0.0000175000000000, 0.0000542200000000, -0.0000260800000000 ] - [ -0.0000903200000000, 0.0000962800000000, 0.0003657100000000 ] - [ 0.0000304100000000, -0.0000257400000000, 0.0000173200000000 ] - [ 0.0000919600000000, 0.0000042300000000, 0.0000289000000000 ] - [ 0.0001135900000000, 0.0000174500000000, 0.0002176800000000 ] - [ 0.0001145200000000, -0.0000790800000000, 0.0000290600000000 ] - [ 0.0000977600000000, -0.0000449000000000, -0.0003487500000000 ] - [ -0.0008694200000000, -0.0000695800000000, -0.0001844700000000 ] - [ 0.0000091500000000, 0.0000514300000000, 0.0000593400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000737400000000, 0.0001860100000000, -0.0004015900000000 ] - [ 0.0000864700000000, 0.0001919700000000, -0.0003555900000000 ] - [ 0.0017579500000000, -0.0018307600000000, -0.0020907300000000 ] - [ -0.0038963500000000, 0.0034843700000000, -0.0012682600000000 ] - [ -0.0000285700000000, 0.0001467500000000, 0.0004617700000000 ] - [ -0.0001226400000000, 0.0000760600000000, 0.0005617900000000 ] - [ 0.0001730100000000, -0.0000757100000000, -0.0004303800000000 ] - [ 0.0001807100000000, 0.0000557600000000, 0.0004135800000000 ] - [ 0.0002100800000000, -0.0001489200000000, 0.0005836100000000 ] - [ 0.0000813800000000, 0.0001068100000000, -0.0003568800000000 ] - [ -0.0000351000000000, 0.0000246700000000, -0.0030970100000000 ] - [ -0.0006101700000000, -0.0000188400000000, 0.0008152400000000 ] - [ -0.0001956400000000, 0.0000309200000000, 0.0002191600000000 ] - [ 0.0000139600000000, -0.0000538800000000, 0.0000420500000000 ] - [ 0.0000777300000000, -0.0006586100000000, -0.0002355700000000 ] - [ 0.0001189400000000, -0.0001789300000000, -0.0002009000000000 ] - [ 0.0000368900000000, 0.0000179500000000, -0.0001245600000000 ] - [ -0.0002135900000000, 0.0000695600000000, 0.0002100000000000 ] - [ -0.0001010100000000, -0.0001891100000000, 0.0001963400000000 ] - [ -0.0000238100000000, -0.0002502500000000, -0.0001808000000000 ] - [ -0.0007247900000000, 0.0009638400000000, -0.0010471900000000 ] - [ -0.0000435200000000, 0.0000509800000000, 0.0001880900000000 ] - [ 0.0005717800000000, -0.0003082300000000, -0.0036962000000000 ] - [ -0.0009399000000000, 0.0009667100000000, -0.0002725200000000 ] - [ 0.0000160700000000, -0.0000266000000000, 0.0000795200000000 ] - [ -0.0000726100000000, 0.0000199600000000, 0.0002243700000000 ] - [ 0.0001888800000000, -0.0001274600000000, 0.0002666800000000 ] - [ -0.0001032200000000, 0.0005053800000000, 0.0007931500000000 ] - [ 0.0007592500000000, -0.0006240000000000, 0.0005811300000000 ] - [ 0.0002089100000000, -0.0003615300000000, -0.0003366200000000 ] - [ -0.0002100400000000, -0.0002594000000000, -0.0002558800000000 ] - [ -0.0000528000000000, -0.0001136000000000, -0.0000236600000000 ] - [ 0.0002062400000000, 0.0000851600000000, -0.0002044700000000 ] - [ 0.0006166500000000, 0.0004126700000000, -0.0003674000000000 ] - [ 0.0005444300000000, 0.0003091900000000, -0.0002272600000000 ] - [ -0.0000599200000000, 0.0001656500000000, 0.0004060600000000 ] - [ -0.0000674200000000, 0.0002055200000000, 0.0002978600000000 ] - [ 0.0000525400000000, -0.0000351400000000, 0.0004187800000000 ] - [ 0.0001859200000000, 0.0000418800000000, -0.0005217600000000 ] - [ -0.0008965400000000, 0.0007771600000000, -0.0010339700000000 ] - [ -0.0000212700000000, -0.0011012400000000, -0.0008210000000000 ] - [ 0.0002512400000000, 0.0002882500000000, 0.0002472400000000 ] - [ -0.0001627000000000, -0.0001720600000000, 0.0000346000000000 ] - [ -0.0016484200000000, 0.0000847600000000, -0.0012461000000000 ] - [ -0.0000761900000000, -0.0000107600000000, -0.0000558700000000 ] - [ 0.0000089300000000, 0.0001776300000000, -0.0001286000000000 ] - [ 0.0000626800000000, 0.0000893900000000, -0.0001727000000000 ] - [ -0.0003353200000000, -0.0002379600000000, 0.0000188800000000 ] - [ 0.0025521600000000, -0.0024977400000000, 0.0147862600000000 ] - [ 0.0000920700000000, -0.0011518700000000, 0.0000348200000000 ] - [ 0.0009856800000000, 0.0001293000000000, -0.0007752800000000 ] - [ 0.0000816000000000, -0.0000332600000000, -0.0000755200000000 ] - [ 0.0001572900000000, -0.0001770400000000, 0.0003001000000000 ] - [ -0.0001905100000000, 0.0000644300000000, -0.0000420900000000 ] - [ -0.0001074100000000, -0.0000860500000000, -0.0001928200000000 ] - [ -0.0000222700000000, 0.0000202300000000, 0.0000168200000000 ] - [ 0.0000056100000000, -0.0000765000000000, 0.0000187200000000 ] - [ -0.0001646000000000, -0.0003482400000000, 0.0003305100000000 ] - [ 0.0001334600000000, 0.0004311200000000, -0.0004662000000000 ] - [ -0.0000056600000000, -0.0000155400000000, -0.0007270300000000 ] - [ 0.0001049300000000, 0.0001841200000000, -0.0000006400000000 ] - [ -0.0003418800000000, -0.0001739500000000, -0.0004208200000000 ] - [ 0.0002455200000000, 0.0010881200000000, -0.0005977100000000 ] - [ 0.0002880600000000, 0.0000570100000000, 0.0002064900000000 ] - [ 0.0001480700000000, -0.0000345200000000, -0.0002292100000000 ] - [ -0.0001104600000000, 0.0000486300000000, 0.0000073400000000 ] - [ -0.0001471300000000, 0.0000425000000000, 0.0000158800000000 ] - [ -0.0002012000000000, -0.0000774000000000, -0.0002305200000000 ] - [ -0.0001558800000000, -0.0000330000000000, -0.0000968300000000 ] - [ 0.0000604000000000, -0.0000753700000000, 0.0000901300000000 ] - [ 0.0008703500000000, -0.0001345100000000, 0.0001647400000000 ] - [ 0.0000264700000000, 0.0000975700000000, -0.0000235700000000 ]