# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e7ebf745-168d-4bfb-9d69-a140ee32841a/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 Na2Li2Al3Si3ClO12 / P-4 (81) / materials id 43030](https://mdr.nims.go.jp/datasets/93d4c815-0afc-4ec4-b37e-3237df82733f) ## 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-4" number: 81 Hall_symbol: "P -4"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.644177460000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.644177460000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.652114389999999 ] # c points: - symbol: Al # 1 coordinates: [ 0.997715190000000, 0.250105050000000, 0.756056000000000 ] mass: 26.981539 - symbol: Al # 2 coordinates: [ 0.002284810000000, 0.749894950000000, 0.756056000000000 ] mass: 26.981539 - symbol: Al # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 4 coordinates: [ 0.749894950000000, 0.997715190000000, 0.243944000000000 ] mass: 26.981539 - symbol: Al # 5 coordinates: [ 0.250105050000000, 0.002284810000000, 0.243944000000000 ] mass: 26.981539 - symbol: Al # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Cl # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.195993170000000 ] mass: 35.453000 - symbol: Cl # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.804006830000000 ] mass: 35.453000 - symbol: Li # 9 coordinates: [ 0.312739510000000, 0.188077780000000, 0.937377090000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.687260490000000, 0.811922220000000, 0.937377090000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.811922220000000, 0.312739510000000, 0.062622910000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.188077780000000, 0.687260490000000, 0.062622910000000 ] mass: 6.941000 - symbol: Na # 13 coordinates: [ 0.158380340000000, 0.340620260000000, 0.410352410000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.841619660000000, 0.659379740000000, 0.410352410000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.659379740000000, 0.158380340000000, 0.589647590000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.340620260000000, 0.841619660000000, 0.589647590000000 ] mass: 22.989769 - symbol: O # 17 coordinates: [ 0.843559050000000, 0.355052310000000, 0.839200710000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.156440950000000, 0.644947690000000, 0.839200710000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.354648470000000, 0.413515530000000, 0.886779460000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.645351530000000, 0.586484470000000, 0.886779460000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.087112520000000, 0.133125530000000, 0.896772850000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.912887480000000, 0.866874470000000, 0.896772850000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.866874470000000, 0.087112520000000, 0.103227150000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.133125530000000, 0.912887480000000, 0.103227150000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.586484470000000, 0.354648470000000, 0.113220540000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.413515530000000, 0.645351530000000, 0.113220540000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.355052310000000, 0.156440950000000, 0.160799290000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.644947690000000, 0.843559050000000, 0.160799290000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.625352080000000, 0.135556950000000, 0.322432850000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.374647920000000, 0.864443050000000, 0.322432850000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.423540470000000, 0.353398180000000, 0.383528310000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.576459530000000, 0.646601820000000, 0.383528310000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.137519930000000, 0.075543540000000, 0.395031600000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.862480070000000, 0.924456460000000, 0.395031600000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.924456460000000, 0.137519930000000, 0.604968400000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.075543540000000, 0.862480070000000, 0.604968400000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.353398180000000, 0.576459530000000, 0.616471690000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.646601820000000, 0.423540470000000, 0.616471690000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.135556950000000, 0.374647920000000, 0.677567150000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.864443050000000, 0.625352080000000, 0.677567150000000 ] mass: 15.999400 - symbol: Si # 41 coordinates: [ 0.250017860000000, 0.502033990000000, 0.755568280000000 ] mass: 28.085500 - symbol: Si # 42 coordinates: [ 0.749982140000000, 0.497966010000000, 0.755568280000000 ] mass: 28.085500 - symbol: Si # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 - symbol: Si # 44 coordinates: [ 0.502033990000000, 0.749982140000000, 0.244431720000000 ] mass: 28.085500 - symbol: Si # 45 coordinates: [ 0.497966010000000, 0.250017860000000, 0.244431720000000 ] mass: 28.085500 - symbol: Si # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reciprocal_lattice: # without 2pi - [ 0.115684806868831, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.115684806868831, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.115578684576314 ] # c*unit_cell: lattice: - [ 8.644177460000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.644177460000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.652114389999999 ] # c points: - symbol: Al # 1 coordinates: [ 0.997715190000000, 0.250105050000000, 0.756056000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.002284810000000, 0.749894950000000, 0.756056000000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.749894950000000, 0.997715190000000, 0.243944000000000 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 5 coordinates: [ 0.250105050000000, 0.002284810000000, 0.243944000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 6 - symbol: Cl # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.195993170000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.804006830000000 ] mass: 35.453000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.312739510000000, 0.188077780000000, 0.937377090000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.687260490000000, 0.811922220000000, 0.937377090000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.811922220000000, 0.312739510000000, 0.062622910000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.188077780000000, 0.687260490000000, 0.062622910000000 ] mass: 6.941000 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.158380340000000, 0.340620260000000, 0.410352410000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.841619660000000, 0.659379740000000, 0.410352410000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.659379740000000, 0.158380340000000, 0.589647590000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.340620260000000, 0.841619660000000, 0.589647590000000 ] mass: 22.989769 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.843559050000000, 0.355052310000000, 0.839200710000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.156440950000000, 0.644947690000000, 0.839200710000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.354648470000000, 0.413515530000000, 0.886779460000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.645351530000000, 0.586484470000000, 0.886779460000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.087112520000000, 0.133125530000000, 0.896772850000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.912887480000000, 0.866874470000000, 0.896772850000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.866874470000000, 0.087112520000000, 0.103227150000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.133125530000000, 0.912887480000000, 0.103227150000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.586484470000000, 0.354648470000000, 0.113220540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.413515530000000, 0.645351530000000, 0.113220540000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.355052310000000, 0.156440950000000, 0.160799290000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.644947690000000, 0.843559050000000, 0.160799290000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.625352080000000, 0.135556950000000, 0.322432850000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.374647920000000, 0.864443050000000, 0.322432850000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.423540470000000, 0.353398180000000, 0.383528310000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.576459530000000, 0.646601820000000, 0.383528310000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.137519930000000, 0.075543540000000, 0.395031600000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.862480070000000, 0.924456460000000, 0.395031600000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.924456460000000, 0.137519930000000, 0.604968400000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.075543540000000, 0.862480070000000, 0.604968400000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.353398180000000, 0.576459530000000, 0.616471690000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.646601820000000, 0.423540470000000, 0.616471690000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.135556950000000, 0.374647920000000, 0.677567150000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.864443050000000, 0.625352080000000, 0.677567150000000 ] mass: 15.999400 reduced_to: 40 - symbol: Si # 41 coordinates: [ 0.250017860000000, 0.502033990000000, 0.755568280000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.749982140000000, 0.497966010000000, 0.755568280000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.502033990000000, 0.749982140000000, 0.244431720000000 ] mass: 28.085500 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.497966010000000, 0.250017860000000, 0.244431720000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 46supercell: lattice: - [ 8.644177460000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.644177460000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.652114389999999 ] # c points: - symbol: Al # 1 coordinates: [ 0.997715190000000, 0.250105050000000, 0.756056000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.002284810000000, 0.749894950000000, 0.756056000000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.749894950000000, 0.997715190000000, 0.243944000000000 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 5 coordinates: [ 0.250105050000000, 0.002284810000000, 0.243944000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 6 - symbol: Cl # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.195993170000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.804006830000000 ] mass: 35.453000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.312739510000000, 0.188077780000000, 0.937377090000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.687260490000000, 0.811922220000000, 0.937377090000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.811922220000000, 0.312739510000000, 0.062622910000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.188077780000000, 0.687260490000000, 0.062622910000000 ] mass: 6.941000 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.158380340000000, 0.340620260000000, 0.410352410000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.841619660000000, 0.659379740000000, 0.410352410000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.659379740000000, 0.158380340000000, 0.589647590000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.340620260000000, 0.841619660000000, 0.589647590000000 ] mass: 22.989769 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.843559050000000, 0.355052310000000, 0.839200710000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.156440950000000, 0.644947690000000, 0.839200710000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.354648470000000, 0.413515530000000, 0.886779460000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.645351530000000, 0.586484470000000, 0.886779460000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.087112520000000, 0.133125530000000, 0.896772850000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.912887480000000, 0.866874470000000, 0.896772850000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.866874470000000, 0.087112520000000, 0.103227150000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.133125530000000, 0.912887480000000, 0.103227150000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.586484470000000, 0.354648470000000, 0.113220540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.413515530000000, 0.645351530000000, 0.113220540000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.355052310000000, 0.156440950000000, 0.160799290000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.644947690000000, 0.843559050000000, 0.160799290000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.625352080000000, 0.135556950000000, 0.322432850000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.374647920000000, 0.864443050000000, 0.322432850000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.423540470000000, 0.353398180000000, 0.383528310000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.576459530000000, 0.646601820000000, 0.383528310000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.137519930000000, 0.075543540000000, 0.395031600000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.862480070000000, 0.924456460000000, 0.395031600000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.924456460000000, 0.137519930000000, 0.604968400000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.075543540000000, 0.862480070000000, 0.604968400000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.353398180000000, 0.576459530000000, 0.616471690000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.646601820000000, 0.423540470000000, 0.616471690000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.135556950000000, 0.374647920000000, 0.677567150000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.864443050000000, 0.625352080000000, 0.677567150000000 ] mass: 15.999400 reduced_to: 40 - symbol: Si # 41 coordinates: [ 0.250017860000000, 0.502033990000000, 0.755568280000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.749982140000000, 0.497966010000000, 0.755568280000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.502033990000000, 0.749982140000000, 0.244431720000000 ] mass: 28.085500 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.497966010000000, 0.250017860000000, 0.244431720000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 46displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2893643200000000, -0.0116182300000000, -0.0003350300000000 ] - [ -0.0081735100000000, -0.0002163900000000, -0.0036466900000000 ] - [ 0.0096208900000000, 0.0019125700000000, 0.0006964300000000 ] - [ 0.0008375100000000, -0.0001879600000000, 0.0017470200000000 ] - [ 0.0013311400000000, 0.0001798400000000, 0.0024129700000000 ] - [ 0.0092162300000000, -0.0021407300000000, 0.0007746500000000 ] - [ 0.0020226200000000, 0.0003616000000000, 0.0012477600000000 ] - [ -0.0037150500000000, 0.0002524300000000, -0.0002011500000000 ] - [ 0.0079412100000000, -0.0025644400000000, 0.0063165900000000 ] - [ 0.0001406000000000, -0.0011593800000000, 0.0000262000000000 ] - [ 0.0000772500000000, 0.0005807500000000, -0.0090912900000000 ] - [ 0.0000785600000000, -0.0000404700000000, 0.0008716400000000 ] - [ -0.0014486700000000, -0.0002660500000000, -0.0060167900000000 ] - [ -0.0003077600000000, -0.0000970600000000, 0.0002130900000000 ] - [ 0.0079141700000000, 0.0027727900000000, 0.0054889100000000 ] - [ 0.0007008300000000, 0.0005080600000000, 0.0000350100000000 ] - [ 0.0874346300000000, -0.0442794800000000, -0.0365925200000000 ] - [ 0.0023341500000000, -0.0083467500000000, -0.0031961000000000 ] - [ -0.0113709200000000, -0.0048362500000000, -0.0060250200000000 ] - [ -0.0075694800000000, 0.0058506200000000, 0.0028742200000000 ] - [ 0.0471917100000000, -0.0297678600000000, 0.0390787000000000 ] - [ 0.0054493200000000, 0.0035553300000000, 0.0017510600000000 ] - [ 0.0066324000000000, -0.0011663200000000, -0.0027307600000000 ] - [ -0.0001637000000000, 0.0026685400000000, -0.0038601500000000 ] - [ -0.0032826900000000, -0.0008215300000000, 0.0013879000000000 ] - [ -0.0025048900000000, 0.0000948000000000, -0.0009307000000000 ] - [ -0.0023755500000000, -0.0002121200000000, -0.0020509200000000 ] - [ -0.0007339000000000, -0.0000598800000000, -0.0004647000000000 ] - [ -0.0017588100000000, 0.0002435500000000, -0.0005331800000000 ] - [ -0.0009334300000000, 0.0001016400000000, 0.0003795800000000 ] - [ -0.0039226600000000, -0.0002654200000000, 0.0006371100000000 ] - [ -0.0010929000000000, 0.0010228900000000, -0.0010446400000000 ] - [ 0.0055225100000000, 0.0007126500000000, -0.0032766000000000 ] - [ 0.0001916000000000, -0.0025249300000000, -0.0029007300000000 ] - [ 0.0385475300000000, 0.0260700700000000, 0.0371865100000000 ] - [ 0.0053603800000000, -0.0032951700000000, 0.0020727700000000 ] - [ -0.0088684500000000, -0.0031895600000000, 0.0034917000000000 ] - [ -0.0099231500000000, 0.0040931800000000, -0.0067921000000000 ] - [ 0.0870231200000000, 0.0619316100000000, -0.0396953800000000 ] - [ 0.0048561200000000, 0.0088552400000000, -0.0044152500000000 ] - [ 0.0237585500000000, 0.0278794600000000, 0.0060484900000000 ] - [ 0.0222066400000000, -0.0323126700000000, 0.0086357500000000 ] - [ -0.0145561200000000, -0.0075373700000000, 0.0061264700000000 ] - [ 0.0023542100000000, -0.0000715900000000, 0.0001382600000000 ] - [ 0.0039769500000000, 0.0004158900000000, -0.0003862500000000 ] - [ -0.0106548700000000, 0.0069141300000000, 0.0045471400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2892720400000000, 0.0060658100000000, -0.0005613400000000 ] - [ 0.0089603400000000, 0.0000237100000000, 0.0035899500000000 ] - [ -0.0095822200000000, -0.0018895200000000, -0.0006792800000000 ] - [ -0.0010179700000000, -0.0006007600000000, -0.0016786000000000 ] - [ -0.0011530800000000, 0.0005916500000000, -0.0023667500000000 ] - [ -0.0092481500000000, 0.0021671100000000, -0.0007923500000000 ] - [ -0.0020227400000000, -0.0003596600000000, -0.0005694600000000 ] - [ 0.0037151200000000, -0.0002242900000000, -0.0004834400000000 ] - [ -0.0081654900000000, 0.0029345800000000, -0.0053521900000000 ] - [ 0.0001486600000000, 0.0007511600000000, 0.0008536400000000 ] - [ -0.0004505300000000, -0.0008484000000000, 0.0082348900000000 ] - [ 0.0003144700000000, 0.0003208000000000, -0.0017430000000000 ] - [ 0.0006225800000000, 0.0002600500000000, 0.0047851200000000 ] - [ 0.0011162300000000, 0.0001100500000000, -0.0014463700000000 ] - [ -0.0079689700000000, -0.0036097400000000, -0.0043393700000000 ] - [ -0.0007191000000000, 0.0002811400000000, 0.0011880900000000 ] - [ -0.0910745600000000, 0.0473459700000000, 0.0396744400000000 ] - [ -0.0023240700000000, 0.0084570500000000, 0.0039228100000000 ] - [ 0.0100314100000000, 0.0036521100000000, 0.0063471900000000 ] - [ 0.0088183700000000, -0.0046885200000000, -0.0025436800000000 ] - [ -0.0467323900000000, 0.0290207700000000, -0.0376774900000000 ] - [ -0.0058761700000000, -0.0036292400000000, -0.0013553300000000 ] - [ -0.0067246200000000, 0.0015830500000000, 0.0023320700000000 ] - [ 0.0002380500000000, -0.0031028400000000, 0.0034964000000000 ] - [ 0.0044020000000000, -0.0004877100000000, -0.0017290500000000 ] - [ 0.0013692200000000, 0.0012031300000000, 0.0005870000000000 ] - [ 0.0022665800000000, 0.0002122600000000, 0.0013277200000000 ] - [ 0.0008421200000000, 0.0000671800000000, -0.0002502400000000 ] - [ 0.0017294800000000, -0.0000004900000000, 0.0017868100000000 ] - [ 0.0009633600000000, -0.0003400200000000, 0.0008700900000000 ] - [ 0.0025004200000000, -0.0003701100000000, -0.0012366200000000 ] - [ 0.0025199600000000, -0.0003967300000000, 0.0004400800000000 ] - [ -0.0060203100000000, 0.0001034400000000, 0.0028903200000000 ] - [ 0.0003233700000000, 0.0016868500000000, 0.0024854200000000 ] - [ -0.0391092100000000, -0.0269693900000000, -0.0373338300000000 ] - [ -0.0045228100000000, 0.0038058400000000, -0.0016878800000000 ] - [ 0.0083027800000000, 0.0046319300000000, -0.0028797600000000 ] - [ 0.0105903900000000, -0.0055739600000000, 0.0074160700000000 ] - [ -0.0841154800000000, -0.0585258500000000, 0.0364337000000000 ] - [ -0.0051109400000000, -0.0088921300000000, 0.0031575200000000 ] - [ -0.0238865400000000, -0.0271591600000000, -0.0061163200000000 ] - [ -0.0221175000000000, 0.0319747400000000, -0.0084602000000000 ] - [ 0.0146204300000000, 0.0076172300000000, -0.0061987700000000 ] - [ -0.0018315600000000, 0.0002003700000000, -0.0001844600000000 ] - [ -0.0044972200000000, -0.0005466400000000, 0.0003376900000000 ] - [ 0.0106042800000000, -0.0068528300000000, -0.0044912800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0099494300000000, -0.2891442300000000, 0.0045770200000000 ] - [ 0.0002825300000000, 0.0202346800000000, 0.0005038000000000 ] - [ -0.0005283800000000, 0.0013828600000000, 0.0050036800000000 ] - [ 0.0050945300000000, 0.0008564400000000, 0.0006525600000000 ] - [ -0.0050963500000000, 0.0013241500000000, -0.0008166900000000 ] - [ 0.0008889400000000, 0.0006887000000000, -0.0053593900000000 ] - [ -0.0001410900000000, -0.0003348600000000, -0.0005573100000000 ] - [ 0.0002466700000000, -0.0002600400000000, -0.0002842600000000 ] - [ -0.0052935800000000, -0.0050670000000000, 0.0006929200000000 ] - [ 0.0017344700000000, 0.0028184000000000, 0.0007490500000000 ] - [ 0.0000845400000000, -0.0049379600000000, 0.0045814900000000 ] - [ -0.0001766200000000, 0.0031177000000000, 0.0010790100000000 ] - [ -0.0007064900000000, -0.0042017900000000, -0.0046206800000000 ] - [ 0.0004099700000000, 0.0028223700000000, -0.0019944700000000 ] - [ 0.0041351000000000, -0.0041864200000000, 0.0004258600000000 ] - [ -0.0013313700000000, 0.0031835300000000, 0.0004923200000000 ] - [ -0.0485648700000000, 0.0518396400000000, 0.0249866900000000 ] - [ 0.0001031900000000, -0.0109612100000000, -0.0023881700000000 ] - [ -0.0065643200000000, -0.0005560600000000, -0.0067004400000000 ] - [ 0.0032635700000000, -0.0041064700000000, -0.0023494000000000 ] - [ -0.0296929700000000, 0.0603545100000000, -0.0493709300000000 ] - [ -0.0025283500000000, -0.0111957900000000, 0.0003924800000000 ] - [ -0.0066994700000000, 0.0003145300000000, 0.0050123100000000 ] - [ 0.0025771500000000, -0.0055633700000000, 0.0029473600000000 ] - [ 0.0014557100000000, 0.0021152000000000, -0.0032588000000000 ] - [ -0.0006416200000000, -0.0020300600000000, -0.0021850300000000 ] - [ 0.0032159600000000, 0.0030075200000000, 0.0005768800000000 ] - [ -0.0021090400000000, -0.0027441400000000, -0.0003510600000000 ] - [ -0.0026897700000000, 0.0027787800000000, 0.0000529200000000 ] - [ 0.0021150000000000, -0.0027443300000000, 0.0006349500000000 ] - [ -0.0012950000000000, 0.0025632100000000, 0.0025224600000000 ] - [ 0.0006474800000000, -0.0023262800000000, 0.0019417700000000 ] - [ 0.0060893100000000, -0.0001958000000000, -0.0055583300000000 ] - [ -0.0022753100000000, -0.0053464100000000, -0.0036544600000000 ] - [ 0.0265788000000000, 0.0605907500000000, 0.0570517800000000 ] - [ 0.0022039100000000, -0.0109057800000000, 0.0002865400000000 ] - [ -0.0043738700000000, -0.0046293000000000, 0.0029307300000000 ] - [ 0.0049992800000000, -0.0010100300000000, 0.0063627300000000 ] - [ 0.0635227300000000, 0.0741328500000000, -0.0356061600000000 ] - [ 0.0003255000000000, -0.0113564800000000, 0.0007626200000000 ] - [ 0.0228959100000000, 0.0238865100000000, 0.0062945000000000 ] - [ -0.0221820300000000, 0.0216461500000000, -0.0039111700000000 ] - [ 0.0054429900000000, 0.0235260100000000, -0.0233369100000000 ] - [ 0.0004763400000000, 0.0052135400000000, -0.0002012200000000 ] - [ -0.0007505500000000, -0.0072381800000000, -0.0000871100000000 ] - [ -0.0051991000000000, 0.0226439300000000, 0.0210775900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0077612800000000, 0.2891670900000000, -0.0037877100000000 ] - [ 0.0005211000000000, -0.0204298200000000, -0.0005307100000000 ] - [ 0.0005419200000000, -0.0013978400000000, -0.0050033500000000 ] - [ -0.0052941800000000, -0.0016278100000000, -0.0006061800000000 ] - [ 0.0052930000000000, -0.0005313700000000, 0.0008348900000000 ] - [ -0.0009034600000000, -0.0006968200000000, 0.0053612700000000 ] - [ 0.0001421100000000, 0.0003426400000000, 0.0011848200000000 ] - [ -0.0002430800000000, 0.0002522300000000, -0.0003509300000000 ] - [ 0.0049957400000000, 0.0054706800000000, 0.0001807000000000 ] - [ -0.0014809300000000, -0.0032137800000000, 0.0001433100000000 ] - [ -0.0004659200000000, 0.0046503600000000, -0.0054910500000000 ] - [ 0.0005762600000000, -0.0028411900000000, -0.0019455400000000 ] - [ -0.0000978700000000, 0.0041731400000000, 0.0034036700000000 ] - [ 0.0003829600000000, -0.0028103800000000, 0.0007424500000000 ] - [ -0.0041046600000000, 0.0034054600000000, 0.0008079500000000 ] - [ 0.0013365500000000, -0.0023835200000000, 0.0007386400000000 ] - [ 0.0467448300000000, -0.0513471400000000, -0.0232993500000000 ] - [ -0.0001601000000000, 0.0110946500000000, 0.0031266800000000 ] - [ 0.0052486100000000, -0.0005392400000000, 0.0070540400000000 ] - [ -0.0019589100000000, 0.0052754700000000, 0.0026841900000000 ] - [ 0.0314798100000000, -0.0614311600000000, 0.0520349800000000 ] - [ 0.0021237100000000, 0.0111436600000000, -0.0000496500000000 ] - [ 0.0066234400000000, 0.0000589100000000, -0.0054267700000000 ] - [ -0.0025221200000000, 0.0051128100000000, -0.0033393000000000 ] - [ -0.0003452500000000, -0.0034169400000000, 0.0029169800000000 ] - [ -0.0004809400000000, 0.0033387800000000, 0.0018362800000000 ] - [ -0.0033436800000000, -0.0030132600000000, -0.0013053200000000 ] - [ 0.0022409700000000, 0.0027436300000000, -0.0003849900000000 ] - [ 0.0026651500000000, -0.0025475300000000, 0.0011790300000000 ] - [ -0.0020899100000000, 0.0025041400000000, 0.0006018700000000 ] - [ -0.0001427300000000, -0.0031827000000000, -0.0031313300000000 ] - [ 0.0007962500000000, 0.0029531500000000, -0.0025510900000000 ] - [ -0.0066038200000000, 0.0010037100000000, 0.0051693500000000 ] - [ 0.0028074000000000, 0.0044600000000000, 0.0032431100000000 ] - [ -0.0285302500000000, -0.0621323000000000, -0.0590723000000000 ] - [ -0.0013653200000000, 0.0114323600000000, 0.0001657500000000 ] - [ 0.0037770200000000, 0.0061238600000000, -0.0023177600000000 ] - [ -0.0043654100000000, -0.0004027600000000, -0.0057667200000000 ] - [ -0.0603542500000000, -0.0723961400000000, 0.0327741300000000 ] - [ -0.0004993300000000, 0.0113134700000000, -0.0020098500000000 ] - [ -0.0228002400000000, -0.0234006500000000, -0.0063193600000000 ] - [ 0.0220434100000000, -0.0222507100000000, 0.0040803300000000 ] - [ -0.0053371000000000, -0.0234815700000000, 0.0235884100000000 ] - [ 0.0000525300000000, -0.0050932200000000, 0.0001241500000000 ] - [ 0.0002213300000000, 0.0071187100000000, 0.0000076900000000 ] - [ 0.0051140700000000, -0.0225710900000000, -0.0212954300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002231100000000, 0.0072000100000000, -0.2885781500000000 ] - [ 0.0040102300000000, -0.0006201300000000, -0.0086958300000000 ] - [ -0.0021477800000000, 0.0002360500000000, 0.0008805600000000 ] - [ -0.0009386300000000, -0.0027953000000000, 0.0095114000000000 ] - [ -0.0005211500000000, 0.0020931100000000, 0.0094767300000000 ] - [ -0.0019147200000000, -0.0001780300000000, 0.0012311500000000 ] - [ -0.0002264100000000, -0.0009153600000000, -0.0033834800000000 ] - [ -0.0008585600000000, 0.0002707000000000, 0.0013676400000000 ] - [ 0.0077346200000000, 0.0011554200000000, 0.0007809800000000 ] - [ -0.0009001800000000, -0.0002179900000000, 0.0003142700000000 ] - [ -0.0063607500000000, 0.0026016700000000, 0.0072934100000000 ] - [ 0.0007961900000000, -0.0005234200000000, -0.0008109400000000 ] - [ -0.0048825400000000, -0.0032254400000000, 0.0074935300000000 ] - [ 0.0008420800000000, 0.0002733800000000, 0.0004129200000000 ] - [ 0.0058931800000000, -0.0005083200000000, -0.0004695200000000 ] - [ -0.0010580600000000, 0.0004458300000000, -0.0000560500000000 ] - [ -0.0381609400000000, 0.0231978600000000, 0.0432198200000000 ] - [ -0.0009098300000000, 0.0041300300000000, 0.0055497300000000 ] - [ 0.0024678000000000, -0.0018122700000000, 0.0061365600000000 ] - [ 0.0035283200000000, -0.0021502000000000, 0.0003183400000000 ] - [ 0.0401317100000000, -0.0508741200000000, 0.0815076200000000 ] - [ 0.0033946700000000, 0.0081422600000000, 0.0038103900000000 ] - [ 0.0063692000000000, 0.0050672400000000, -0.0105180900000000 ] - [ -0.0027700500000000, 0.0041703100000000, -0.0079521800000000 ] - [ 0.0021873000000000, -0.0005280900000000, -0.0021419100000000 ] - [ -0.0004857600000000, 0.0004450000000000, -0.0009584600000000 ] - [ -0.0015416400000000, -0.0000165100000000, -0.0039990700000000 ] - [ 0.0008326700000000, 0.0005317800000000, -0.0022916800000000 ] - [ -0.0009890200000000, 0.0003498300000000, -0.0027658200000000 ] - [ 0.0007245400000000, -0.0008202200000000, -0.0012433400000000 ] - [ 0.0004796800000000, -0.0005434600000000, -0.0024020800000000 ] - [ 0.0009171700000000, 0.0004428900000000, -0.0012997600000000 ] - [ 0.0065686300000000, -0.0037886300000000, -0.0109458600000000 ] - [ -0.0029020000000000, -0.0050881100000000, -0.0094683500000000 ] - [ 0.0360219300000000, 0.0544859700000000, 0.0943475600000000 ] - [ 0.0041500000000000, -0.0090287900000000, 0.0037266300000000 ] - [ 0.0030129200000000, 0.0028850700000000, -0.0000324500000000 ] - [ 0.0027563800000000, -0.0003167300000000, 0.0067363500000000 ] - [ -0.0377817400000000, -0.0330212700000000, 0.0416148100000000 ] - [ -0.0026170900000000, -0.0030881000000000, 0.0048025000000000 ] - [ -0.0064041000000000, -0.0057383500000000, -0.0112080100000000 ] - [ -0.0039156300000000, 0.0080973300000000, -0.0138637900000000 ] - [ -0.0069508400000000, -0.0298600800000000, 0.0220895600000000 ] - [ 0.0000921100000000, 0.0001942300000000, 0.0021575100000000 ] - [ 0.0000955300000000, -0.0001190000000000, 0.0042203300000000 ] - [ -0.0075463100000000, 0.0293619000000000, 0.0240845200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003189600000000, -0.0011376000000000, 0.2896269000000000 ] - [ -0.0032276400000000, 0.0004152300000000, 0.0086591500000000 ] - [ 0.0021617700000000, -0.0002304900000000, -0.0009043000000000 ] - [ 0.0007163900000000, 0.0019847300000000, -0.0094354700000000 ] - [ 0.0007358000000000, -0.0013343100000000, -0.0094708100000000 ] - [ 0.0019056000000000, 0.0001875200000000, -0.0012094700000000 ] - [ 0.0002262800000000, 0.0008824000000000, 0.0040383200000000 ] - [ 0.0008594600000000, -0.0002722500000000, -0.0020320100000000 ] - [ -0.0079954800000000, -0.0007739900000000, 0.0000718400000000 ] - [ 0.0011725500000000, -0.0001790000000000, 0.0005564500000000 ] - [ 0.0058708300000000, -0.0028472700000000, -0.0081203700000000 ] - [ -0.0003929100000000, 0.0008081700000000, -0.0000782900000000 ] - [ 0.0041545200000000, 0.0032480900000000, -0.0087951000000000 ] - [ -0.0000505000000000, -0.0002505300000000, -0.0016378300000000 ] - [ -0.0058837900000000, -0.0002976600000000, 0.0017242800000000 ] - [ 0.0010479700000000, 0.0003520300000000, 0.0012946100000000 ] - [ 0.0373127200000000, -0.0227704400000000, -0.0425692600000000 ] - [ 0.0009022400000000, -0.0039850200000000, -0.0048119100000000 ] - [ -0.0037687000000000, 0.0006904700000000, -0.0057641200000000 ] - [ -0.0022576100000000, 0.0032977000000000, 0.0000373100000000 ] - [ -0.0375781700000000, 0.0479591200000000, -0.0784955300000000 ] - [ -0.0038000200000000, -0.0081992600000000, -0.0033962900000000 ] - [ -0.0064214800000000, -0.0045989200000000, 0.0100917200000000 ] - [ 0.0028301900000000, -0.0045995800000000, 0.0076224100000000 ] - [ -0.0010645400000000, -0.0007806800000000, 0.0018116800000000 ] - [ -0.0006419200000000, 0.0008575600000000, 0.0006230900000000 ] - [ 0.0014051500000000, 0.0000126600000000, 0.0032901700000000 ] - [ -0.0007008400000000, -0.0005166900000000, 0.0015794800000000 ] - [ 0.0009802200000000, -0.0001189700000000, 0.0040170700000000 ] - [ -0.0007117000000000, 0.0005977300000000, 0.0025001600000000 ] - [ -0.0019324100000000, -0.0000884100000000, 0.0017990800000000 ] - [ 0.0005296200000000, 0.0001842300000000, 0.0006955000000000 ] - [ -0.0071048500000000, 0.0046661300000000, 0.0105891400000000 ] - [ 0.0034246100000000, 0.0042306100000000, 0.0090148500000000 ] - [ -0.0390623500000000, -0.0586606200000000, -0.0977271400000000 ] - [ -0.0033149900000000, 0.0095692600000000, -0.0033567600000000 ] - [ -0.0036057900000000, -0.0014185700000000, 0.0006136700000000 ] - [ -0.0021296400000000, -0.0011333700000000, -0.0061732900000000 ] - [ 0.0386811400000000, 0.0336190700000000, -0.0426817800000000 ] - [ 0.0023900000000000, 0.0030918300000000, -0.0060873300000000 ] - [ 0.0062263400000000, 0.0062050400000000, 0.0112267700000000 ] - [ 0.0041067800000000, -0.0087115500000000, 0.0139997800000000 ] - [ 0.0070804400000000, 0.0296624600000000, -0.0220990700000000 ] - [ 0.0004337400000000, -0.0000780300000000, -0.0022267200000000 ] - [ -0.0006201800000000, 0.0000067000000000, -0.0042919700000000 ] - [ 0.0074301100000000, -0.0295455700000000, -0.0241186100000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0092287300000000, -0.0004447700000000, -0.0021954400000000 ] - [ 0.0099756500000000, -0.0006261100000000, 0.0021149800000000 ] - [ -0.2867825700000000, -0.0000310800000000, 0.0026229900000000 ] - [ 0.0012789300000000, -0.0022867400000000, 0.0002666800000000 ] - [ 0.0015009500000000, -0.0015165500000000, -0.0002013000000000 ] - [ -0.0085765100000000, 0.0036329900000000, -0.0000023700000000 ] - [ -0.0045892500000000, -0.0005465700000000, 0.0003288600000000 ] - [ 0.0021292300000000, -0.0011972400000000, -0.0003452700000000 ] - [ 0.0003044700000000, 0.0083454500000000, -0.0004889800000000 ] - [ 0.0005592000000000, 0.0079635200000000, 0.0013510600000000 ] - [ 0.0074336700000000, -0.0057304400000000, 0.0023262400000000 ] - [ 0.0077885900000000, -0.0053633300000000, -0.0031744700000000 ] - [ 0.0002501700000000, 0.0005259000000000, -0.0003870300000000 ] - [ 0.0010419200000000, 0.0005460600000000, -0.0008268100000000 ] - [ -0.0006674900000000, -0.0012850700000000, 0.0005909400000000 ] - [ -0.0006709400000000, -0.0004833600000000, 0.0006378600000000 ] - [ -0.0102882400000000, 0.0066997900000000, 0.0049128100000000 ] - [ -0.0102564500000000, 0.0067959200000000, -0.0041430800000000 ] - [ 0.0820199800000000, 0.0372584600000000, 0.0488629500000000 ] - [ 0.0863381900000000, 0.0406421200000000, -0.0516600400000000 ] - [ -0.0033920600000000, -0.0012664100000000, 0.0003307600000000 ] - [ -0.0037896700000000, -0.0013324500000000, 0.0000668500000000 ] - [ -0.0021593600000000, 0.0017011300000000, -0.0000486200000000 ] - [ -0.0021079500000000, 0.0012871300000000, -0.0003523400000000 ] - [ 0.0461901900000000, -0.0400256700000000, 0.0285578300000000 ] - [ 0.0450652100000000, -0.0377747400000000, -0.0281768200000000 ] - [ 0.0062101500000000, 0.0019062700000000, 0.0010272000000000 ] - [ 0.0063558000000000, 0.0019060000000000, -0.0017470900000000 ] - [ 0.0001336300000000, 0.0035486400000000, -0.0021381800000000 ] - [ 0.0001454800000000, 0.0033459700000000, 0.0034150100000000 ] - [ 0.0046751400000000, -0.0020362100000000, -0.0038999200000000 ] - [ 0.0061122100000000, -0.0014021600000000, 0.0033041800000000 ] - [ -0.0012811100000000, 0.0005975600000000, 0.0000723000000000 ] - [ -0.0007348900000000, -0.0002091400000000, -0.0004491700000000 ] - [ -0.0022987900000000, 0.0004446700000000, 0.0009095800000000 ] - [ -0.0014927900000000, 0.0009783500000000, -0.0005231800000000 ] - [ 0.0032381700000000, 0.0041270700000000, -0.0083560900000000 ] - [ 0.0038936600000000, 0.0027082200000000, 0.0089816600000000 ] - [ -0.0085498600000000, -0.0026848700000000, -0.0048502300000000 ] - [ -0.0087222200000000, -0.0027129800000000, 0.0035702700000000 ] - [ 0.0234396800000000, -0.0073384100000000, 0.0298202300000000 ] - [ 0.0235732500000000, -0.0077384600000000, -0.0299775900000000 ] - [ 0.0042538400000000, 0.0001400200000000, 0.0000030600000000 ] - [ -0.0142209600000000, -0.0053931700000000, -0.0071081400000000 ] - [ -0.0146758000000000, -0.0054378100000000, 0.0069807400000000 ] - [ 0.0021208100000000, -0.0002374900000000, -0.0000028900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003044500000000, 0.0051022700000000, 0.0008688200000000 ] - [ -0.0003044500000000, -0.0051022700000000, 0.0008688200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2778879700000000 ] - [ 0.0049035700000000, -0.0010700400000000, 0.0009172200000000 ] - [ -0.0049035700000000, 0.0010700400000000, 0.0009172200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0201775900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008874800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001929900000000 ] - [ -0.0001569600000000, 0.0052322100000000, -0.0045608500000000 ] - [ 0.0001569600000000, -0.0052322100000000, -0.0045608500000000 ] - [ 0.0048064500000000, -0.0001126500000000, -0.0054457700000000 ] - [ -0.0048064500000000, 0.0001126500000000, -0.0054457700000000 ] - [ -0.0018066300000000, 0.0002308700000000, 0.0021103300000000 ] - [ 0.0018066300000000, -0.0002308700000000, 0.0021103300000000 ] - [ 0.0002509800000000, 0.0009879200000000, 0.0033287100000000 ] - [ -0.0002509800000000, -0.0009879200000000, 0.0033287100000000 ] - [ 0.0049620200000000, -0.0065940800000000, 0.0009018300000000 ] - [ -0.0049620200000000, 0.0065940800000000, 0.0009018300000000 ] - [ 0.0495728100000000, 0.0281232900000000, 0.0586942900000000 ] - [ -0.0495728100000000, -0.0281232900000000, 0.0586942900000000 ] - [ -0.0005983100000000, -0.0028889100000000, 0.0029813000000000 ] - [ 0.0005983100000000, 0.0028889100000000, 0.0029813000000000 ] - [ -0.0029422900000000, 0.0009949700000000, 0.0025816300000000 ] - [ 0.0029422900000000, -0.0009949700000000, 0.0025816300000000 ] - [ 0.0305099900000000, -0.0530806800000000, 0.0593384500000000 ] - [ -0.0305099900000000, 0.0530806800000000, 0.0593384500000000 ] - [ 0.0064731000000000, 0.0049664700000000, 0.0002024000000000 ] - [ -0.0064731000000000, -0.0049664700000000, 0.0002024000000000 ] - [ -0.0022630400000000, 0.0035817100000000, -0.0039393000000000 ] - [ 0.0022630400000000, -0.0035817100000000, -0.0039393000000000 ] - [ 0.0011399900000000, -0.0001034100000000, -0.0114428600000000 ] - [ -0.0011399900000000, 0.0001034100000000, -0.0114428600000000 ] - [ 0.0018592300000000, 0.0004092400000000, -0.0028363900000000 ] - [ -0.0018592300000000, -0.0004092400000000, -0.0028363900000000 ] - [ -0.0003980400000000, -0.0023985000000000, -0.0024574500000000 ] - [ 0.0003980400000000, 0.0023985000000000, -0.0024574500000000 ] - [ -0.0004734500000000, 0.0025581200000000, -0.0108122300000000 ] - [ 0.0004734500000000, -0.0025581200000000, -0.0108122300000000 ] - [ -0.0033522200000000, -0.0022245600000000, -0.0052286400000000 ] - [ 0.0033522200000000, 0.0022245600000000, -0.0052286400000000 ] - [ 0.0230756100000000, -0.0058047500000000, 0.0220893900000000 ] - [ -0.0230756100000000, 0.0058047500000000, 0.0220893900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070745200000000 ] - [ 0.0062307600000000, 0.0234397600000000, 0.0219790700000000 ] - [ -0.0062307600000000, -0.0234397600000000, 0.0219790700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051644700000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0088274100000000, 0.0009871100000000, -0.0019265200000000 ] - [ 0.0096372200000000, 0.0008061800000000, 0.0018944800000000 ] - [ -0.0085757800000000, -0.0036325000000000, 0.0000035800000000 ] - [ 0.0005824100000000, 0.0017602200000000, -0.0001577800000000 ] - [ 0.0008025500000000, 0.0025465000000000, 0.0002072400000000 ] - [ -0.2934403500000000, 0.0000343700000000, -0.0032051400000000 ] - [ -0.0030251400000000, -0.0001458500000000, 0.0003524700000000 ] - [ 0.0016017100000000, 0.0004785800000000, -0.0003396200000000 ] - [ -0.0002905400000000, 0.0014619100000000, 0.0004535400000000 ] - [ -0.0000174600000000, 0.0010644800000000, 0.0004247100000000 ] - [ -0.0001417900000000, -0.0005372300000000, 0.0004072100000000 ] - [ 0.0002689700000000, -0.0002507200000000, -0.0012898100000000 ] - [ 0.0079900800000000, 0.0048586600000000, 0.0025246300000000 ] - [ 0.0088676900000000, 0.0049499000000000, -0.0037785500000000 ] - [ -0.0012007900000000, -0.0060464700000000, 0.0004224700000000 ] - [ -0.0011859100000000, -0.0052427900000000, 0.0008019300000000 ] - [ -0.0082883400000000, 0.0031566100000000, -0.0045741000000000 ] - [ -0.0083585800000000, 0.0032811700000000, 0.0053370600000000 ] - [ 0.0028283800000000, -0.0045799900000000, 0.0089032500000000 ] - [ 0.0041550700000000, -0.0034465100000000, -0.0085795600000000 ] - [ -0.0016720300000000, -0.0007224700000000, 0.0007375900000000 ] - [ -0.0020761500000000, -0.0007881700000000, -0.0003451100000000 ] - [ -0.0007986000000000, 0.0000989300000000, -0.0001297500000000 ] - [ -0.0007453700000000, -0.0003060500000000, -0.0002713400000000 ] - [ 0.0058301500000000, 0.0010731400000000, -0.0037971200000000 ] - [ 0.0046762100000000, 0.0023802600000000, 0.0034404200000000 ] - [ -0.0004041100000000, -0.0030109400000000, -0.0025487900000000 ] - [ -0.0002639900000000, -0.0029761200000000, 0.0017931800000000 ] - [ 0.0060265100000000, -0.0035041700000000, 0.0008712500000000 ] - [ 0.0060197200000000, -0.0037399400000000, 0.0003662500000000 ] - [ 0.0397917800000000, 0.0369853300000000, 0.0276378700000000 ] - [ 0.0410064900000000, 0.0382392300000000, -0.0287209800000000 ] - [ -0.0021750400000000, -0.0008923100000000, -0.0000019300000000 ] - [ -0.0016347400000000, -0.0017114800000000, -0.0003801000000000 ] - [ -0.0038354800000000, 0.0009078700000000, 0.0003168900000000 ] - [ -0.0030264300000000, 0.0014313500000000, 0.0000699100000000 ] - [ 0.0896954900000000, -0.0363021200000000, -0.0542001500000000 ] - [ 0.0936487700000000, -0.0398769800000000, 0.0583331800000000 ] - [ -0.0106149600000000, -0.0063896400000000, 0.0037562300000000 ] - [ -0.0108811200000000, -0.0064239400000000, -0.0050473700000000 ] - [ 0.0227867600000000, 0.0074021100000000, -0.0292325900000000 ] - [ 0.0229252500000000, 0.0067656000000000, 0.0294582600000000 ] - [ 0.0021565300000000, 0.0000955800000000, 0.0000026400000000 ] - [ -0.0105524700000000, 0.0052120100000000, -0.0073635400000000 ] - [ -0.0111178500000000, 0.0051384000000000, 0.0073785800000000 ] - [ 0.0041978800000000, -0.0005891000000000, -0.0000049700000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003877400000000, -0.0052609900000000, 0.0011843900000000 ] - [ -0.0003877400000000, 0.0052609900000000, 0.0011843900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0201769900000000 ] - [ -0.0054596700000000, -0.0011787600000000, 0.0012569100000000 ] - [ 0.0054596700000000, 0.0011787600000000, 0.0012569100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2992346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005839500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012608600000000 ] - [ 0.0000506500000000, -0.0013497600000000, 0.0034845000000000 ] - [ -0.0000506500000000, 0.0013497600000000, 0.0034845000000000 ] - [ -0.0017303100000000, -0.0003365200000000, 0.0026073900000000 ] - [ 0.0017303100000000, 0.0003365200000000, 0.0026073900000000 ] - [ 0.0038164800000000, -0.0004040600000000, -0.0046266000000000 ] - [ -0.0038164800000000, 0.0004040600000000, -0.0046266000000000 ] - [ -0.0003946600000000, -0.0045998300000000, -0.0034280400000000 ] - [ 0.0003946600000000, 0.0045998300000000, -0.0034280400000000 ] - [ -0.0031281100000000, 0.0027897200000000, -0.0052407300000000 ] - [ 0.0031281100000000, -0.0027897200000000, -0.0052407300000000 ] - [ -0.0006423600000000, 0.0017343300000000, -0.0109660900000000 ] - [ 0.0006423600000000, -0.0017343300000000, -0.0109660900000000 ] - [ 0.0001630000000000, 0.0021530400000000, -0.0024547000000000 ] - [ -0.0001630000000000, -0.0021530400000000, -0.0024547000000000 ] - [ 0.0020924900000000, 0.0002461300000000, -0.0028544900000000 ] - [ -0.0020924900000000, -0.0002461300000000, -0.0028544900000000 ] - [ 0.0028762900000000, -0.0006164600000000, -0.0112871400000000 ] - [ -0.0028762900000000, 0.0006164600000000, -0.0112871400000000 ] - [ -0.0029005300000000, -0.0031440000000000, -0.0060136700000000 ] - [ 0.0029005300000000, 0.0031440000000000, -0.0060136700000000 ] - [ 0.0064290500000000, -0.0055074600000000, -0.0003640500000000 ] - [ -0.0064290500000000, 0.0055074600000000, -0.0003640500000000 ] - [ 0.0280185600000000, 0.0565959900000000, 0.0631969400000000 ] - [ -0.0280185600000000, -0.0565959900000000, 0.0631969400000000 ] - [ -0.0032623200000000, -0.0003001000000000, 0.0026558200000000 ] - [ 0.0032623200000000, 0.0003001000000000, 0.0026558200000000 ] - [ -0.0011032700000000, 0.0027229000000000, 0.0030407500000000 ] - [ 0.0011032700000000, -0.0027229000000000, 0.0030407500000000 ] - [ -0.0597591100000000, 0.0307037400000000, 0.0650251300000000 ] - [ 0.0597591100000000, -0.0307037400000000, 0.0650251300000000 ] - [ 0.0057575000000000, 0.0064427000000000, -0.0015875500000000 ] - [ -0.0057575000000000, -0.0064427000000000, -0.0015875500000000 ] - [ -0.0216049700000000, -0.0042913600000000, 0.0239693900000000 ] - [ 0.0216049700000000, 0.0042913600000000, 0.0239693900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050136200000000 ] - [ 0.0049046300000000, -0.0212542400000000, 0.0239774800000000 ] - [ -0.0049046300000000, 0.0212542400000000, 0.0239774800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072624000000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016311000000000, -0.0000417800000000, -0.0002536400000000 ] - [ 0.0024150600000000, -0.0002409600000000, 0.0001993400000000 ] - [ -0.0045882600000000, 0.0011970700000000, 0.0000098700000000 ] - [ -0.0003667800000000, -0.0006291600000000, 0.0002987200000000 ] - [ -0.0001486500000000, 0.0001514000000000, -0.0002460100000000 ] - [ -0.0030249700000000, -0.0004782000000000, -0.0000070400000000 ] - [ -0.0182185100000000, 0.0039092000000000, 0.0002912300000000 ] - [ 0.0002994100000000, 0.0000000200000000, -0.0003448300000000 ] - [ -0.0005407200000000, 0.0006631100000000, 0.0007876700000000 ] - [ -0.0002659300000000, 0.0002618800000000, 0.0000905900000000 ] - [ 0.0017453600000000, -0.0005633900000000, -0.0011384000000000 ] - [ 0.0022388900000000, -0.0001882800000000, 0.0001942800000000 ] - [ 0.0042289000000000, -0.0028956000000000, 0.0038057100000000 ] - [ 0.0049792900000000, -0.0027860300000000, -0.0049029500000000 ] - [ -0.0003267800000000, -0.0006259800000000, 0.0007492800000000 ] - [ -0.0003359800000000, 0.0001729700000000, 0.0004768400000000 ] - [ -0.0004899300000000, 0.0005220100000000, 0.0022829800000000 ] - [ -0.0005095500000000, 0.0006443300000000, -0.0015671100000000 ] - [ 0.0007596900000000, -0.0008700700000000, -0.0005185600000000 ] - [ 0.0020722400000000, 0.0002559700000000, 0.0008386400000000 ] - [ -0.0007024600000000, -0.0001078500000000, -0.0000809700000000 ] - [ -0.0011051800000000, -0.0001701500000000, 0.0004764300000000 ] - [ -0.0010211600000000, 0.0017337200000000, 0.0003309300000000 ] - [ -0.0009701300000000, 0.0013258400000000, -0.0007244700000000 ] - [ 0.0046348000000000, 0.0001914000000000, -0.0001354700000000 ] - [ 0.0035273700000000, 0.0015136000000000, -0.0002058800000000 ] - [ 0.0016524900000000, -0.0001849500000000, -0.0004195200000000 ] - [ 0.0017780100000000, -0.0001662900000000, -0.0002932400000000 ] - [ 0.0012951400000000, 0.0003485400000000, 0.0003759300000000 ] - [ 0.0013120400000000, 0.0001180000000000, 0.0008731700000000 ] - [ 0.0019010500000000, -0.0008807300000000, -0.0002827000000000 ] - [ 0.0033191800000000, -0.0002400100000000, -0.0003168400000000 ] - [ -0.0010636500000000, -0.0000993500000000, 0.0002801700000000 ] - [ -0.0005239100000000, -0.0009135000000000, -0.0006605200000000 ] - [ -0.0011180000000000, 0.0000684700000000, 0.0001339300000000 ] - [ -0.0003093900000000, 0.0005996000000000, 0.0002450400000000 ] - [ 0.0006960800000000, 0.0007226300000000, 0.0003673400000000 ] - [ 0.0013378700000000, -0.0006965200000000, 0.0002484900000000 ] - [ -0.0006660200000000, -0.0004777500000000, -0.0002616100000000 ] - [ -0.0008947800000000, -0.0004972100000000, -0.0009951200000000 ] - [ -0.0003268500000000, 0.0007773400000000, 0.0010450800000000 ] - [ -0.0002242800000000, 0.0002545400000000, -0.0009894800000000 ] - [ 0.0026769700000000, -0.0006565400000000, -0.0000007400000000 ] - [ -0.0040584700000000, -0.0003818800000000, -0.0016509800000000 ] - [ -0.0045789400000000, -0.0004854600000000, 0.0015930900000000 ] - [ 0.0018783500000000, -0.0001540100000000, 0.0000012900000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000295900000000, -0.0002484000000000, -0.0009239100000000 ] - [ 0.0007512300000000, -0.0004306800000000, 0.0008754200000000 ] - [ -0.0005453400000000, 0.0021291800000000, -0.0000011400000000 ] - [ -0.0003360900000000, -0.0041048000000000, 0.0008838800000000 ] - [ -0.0001547900000000, -0.0033261800000000, -0.0008348300000000 ] - [ -0.0001464100000000, 0.0016020000000000, 0.0000016400000000 ] - [ 0.0039093900000000, -0.0182719200000000, 0.0002903300000000 ] - [ 0.0000000800000000, 0.0002994000000000, -0.0003458500000000 ] - [ 0.0002501700000000, -0.0001927700000000, 0.0000100900000000 ] - [ 0.0005339800000000, -0.0005881800000000, 0.0008688500000000 ] - [ -0.0005657000000000, 0.0017878200000000, -0.0011787800000000 ] - [ -0.0000695200000000, 0.0021610200000000, 0.0002346000000000 ] - [ -0.0032318800000000, 0.0046145300000000, -0.0048797600000000 ] - [ -0.0025299300000000, 0.0046785300000000, 0.0037800300000000 ] - [ -0.0001700700000000, -0.0007421100000000, 0.0007896200000000 ] - [ -0.0001846800000000, 0.0000615800000000, 0.0004349000000000 ] - [ 0.0008086700000000, -0.0009439800000000, 0.0022472500000000 ] - [ 0.0008050600000000, -0.0008399300000000, -0.0015311600000000 ] - [ -0.0007383000000000, -0.0014750100000000, 0.0005189700000000 ] - [ 0.0005725300000000, -0.0003545600000000, -0.0001864400000000 ] - [ -0.0001014500000000, 0.0019388000000000, 0.0005199400000000 ] - [ -0.0005062400000000, 0.0018761400000000, -0.0001378400000000 ] - [ 0.0000455300000000, 0.0044086600000000, 0.0005702800000000 ] - [ 0.0001158300000000, 0.0040304000000000, -0.0009745600000000 ] - [ 0.0020323900000000, -0.0012897600000000, 0.0001670700000000 ] - [ 0.0009005500000000, 0.0000075300000000, -0.0005003200000000 ] - [ -0.0004612900000000, 0.0012662000000000, -0.0003114400000000 ] - [ -0.0003569000000000, 0.0012646500000000, -0.0003993800000000 ] - [ 0.0003350100000000, 0.0011509800000000, 0.0003758400000000 ] - [ 0.0003663800000000, 0.0009046100000000, 0.0008738400000000 ] - [ -0.0011889400000000, -0.0009837100000000, -0.0007854500000000 ] - [ 0.0002369400000000, -0.0003567000000000, 0.0001776300000000 ] - [ -0.0003590700000000, 0.0029295000000000, -0.0007047800000000 ] - [ 0.0001697400000000, 0.0021250700000000, 0.0003375400000000 ] - [ -0.0003717400000000, 0.0009745500000000, 0.0001598500000000 ] - [ 0.0004375000000000, 0.0015023800000000, 0.0002234800000000 ] - [ 0.0000126400000000, -0.0000291300000000, 0.0003437700000000 ] - [ 0.0006505500000000, -0.0014453800000000, 0.0002655200000000 ] - [ -0.0003768400000000, -0.0009191800000000, -0.0010942600000000 ] - [ -0.0006154600000000, -0.0009472200000000, -0.0001636000000000 ] - [ -0.0003061400000000, 0.0027590400000000, 0.0003252700000000 ] - [ -0.0001851000000000, 0.0022328700000000, -0.0002776400000000 ] - [ 0.0021372000000000, -0.0053549800000000, 0.0000114400000000 ] - [ 0.0000233400000000, -0.0001454000000000, -0.0005056800000000 ] - [ -0.0004997900000000, -0.0002889800000000, 0.0004573200000000 ] - [ -0.0010634300000000, -0.0034265000000000, -0.0000075700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005138100000000, -0.0007643100000000, -0.0037509900000000 ] - [ -0.0005138100000000, 0.0007643100000000, -0.0037509900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005292900000000 ] - [ -0.0000657600000000, -0.0005336000000000, 0.0017436600000000 ] - [ 0.0000657600000000, 0.0005336000000000, 0.0017436600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009143200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0237867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001315700000000 ] - [ 0.0002802500000000, -0.0001810000000000, 0.0003095500000000 ] - [ -0.0002802500000000, 0.0001810000000000, 0.0003095500000000 ] - [ -0.0005736200000000, -0.0004464700000000, 0.0018833500000000 ] - [ 0.0005736200000000, 0.0004464700000000, 0.0018833500000000 ] - [ 0.0035273600000000, -0.0040037100000000, 0.0065265400000000 ] - [ -0.0035273600000000, 0.0040037100000000, 0.0065265400000000 ] - [ 0.0001687500000000, -0.0003039400000000, 0.0000915600000000 ] - [ -0.0001687500000000, 0.0003039400000000, 0.0000915600000000 ] - [ 0.0014781700000000, 0.0006284000000000, 0.0045892000000000 ] - [ -0.0014781700000000, -0.0006284000000000, 0.0045892000000000 ] - [ -0.0012348600000000, -0.0003335400000000, 0.0012811800000000 ] - [ 0.0012348600000000, 0.0003335400000000, 0.0012811800000000 ] - [ 0.0000175000000000, 0.0007917000000000, 0.0009627900000000 ] - [ -0.0000175000000000, -0.0007917000000000, 0.0009627900000000 ] - [ 0.0004443500000000, 0.0009252200000000, -0.0012258200000000 ] - [ -0.0004443500000000, -0.0009252200000000, -0.0012258200000000 ] - [ 0.0013005800000000, -0.0001620200000000, -0.0013448100000000 ] - [ -0.0013005800000000, 0.0001620200000000, -0.0013448100000000 ] - [ -0.0002313700000000, 0.0001308800000000, -0.0011852600000000 ] - [ 0.0002313700000000, -0.0001308800000000, -0.0011852600000000 ] - [ -0.0002323300000000, -0.0000599300000000, -0.0000199800000000 ] - [ 0.0002323300000000, 0.0000599300000000, -0.0000199800000000 ] - [ 0.0002662700000000, -0.0007470600000000, -0.0008423800000000 ] - [ -0.0002662700000000, 0.0007470600000000, -0.0008423800000000 ] - [ 0.0000353100000000, -0.0005260000000000, -0.0004770500000000 ] - [ -0.0000353100000000, 0.0005260000000000, -0.0004770500000000 ] - [ -0.0005502200000000, -0.0003109000000000, 0.0016085400000000 ] - [ 0.0005502200000000, 0.0003109000000000, 0.0016085400000000 ] - [ -0.0004844300000000, 0.0008665800000000, 0.0020993600000000 ] - [ 0.0004844300000000, -0.0008665800000000, 0.0020993600000000 ] - [ 0.0004018300000000, 0.0002199400000000, 0.0022125100000000 ] - [ -0.0004018300000000, -0.0002199400000000, 0.0022125100000000 ] - [ 0.0007899600000000, -0.0014494600000000, -0.0042297400000000 ] - [ -0.0007899600000000, 0.0014494600000000, -0.0042297400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006252300000000 ] - [ 0.0004385100000000, -0.0000010400000000, 0.0020437900000000 ] - [ -0.0004385100000000, 0.0000010400000000, 0.0020437900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008738700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012999200000000, 0.0009824100000000, 0.0036973800000000 ] - [ 0.0012999200000000, -0.0009824100000000, 0.0036973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005499500000000 ] - [ -0.0001359500000000, -0.0002480700000000, -0.0016834700000000 ] - [ 0.0001359500000000, 0.0002480700000000, -0.0016834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009312900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0241993400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005562900000000 ] - [ -0.0005617900000000, 0.0005806300000000, 0.0005618800000000 ] - [ 0.0005617900000000, -0.0005806300000000, 0.0005618800000000 ] - [ 0.0001280200000000, 0.0001195400000000, -0.0027936900000000 ] - [ -0.0001280200000000, -0.0001195400000000, -0.0027936900000000 ] - [ -0.0041390200000000, 0.0038003500000000, -0.0075494400000000 ] - [ 0.0041390200000000, -0.0038003500000000, -0.0075494400000000 ] - [ -0.0001528400000000, -0.0004941700000000, 0.0011292700000000 ] - [ 0.0001528400000000, 0.0004941700000000, 0.0011292700000000 ] - [ -0.0014965600000000, -0.0007640400000000, -0.0039181100000000 ] - [ 0.0014965600000000, 0.0007640400000000, -0.0039181100000000 ] - [ -0.0000628500000000, -0.0007927600000000, -0.0009452000000000 ] - [ 0.0000628500000000, 0.0007927600000000, -0.0009452000000000 ] - [ 0.0003888100000000, -0.0007425800000000, -0.0005638700000000 ] - [ -0.0003888100000000, 0.0007425800000000, -0.0005638700000000 ] - [ -0.0005042200000000, -0.0005136900000000, 0.0008450300000000 ] - [ 0.0005042200000000, 0.0005136900000000, 0.0008450300000000 ] - [ -0.0001614100000000, -0.0011433800000000, 0.0010204400000000 ] - [ 0.0001614100000000, 0.0011433800000000, 0.0010204400000000 ] - [ 0.0001134400000000, -0.0001350100000000, 0.0004835100000000 ] - [ -0.0001134400000000, 0.0001350100000000, 0.0004835100000000 ] - [ 0.0002122200000000, 0.0002952300000000, 0.0012762500000000 ] - [ -0.0002122200000000, -0.0002952300000000, 0.0012762500000000 ] - [ -0.0016934600000000, 0.0001098400000000, 0.0002300200000000 ] - [ 0.0016934600000000, -0.0001098400000000, 0.0002300200000000 ] - [ -0.0005656000000000, 0.0013368500000000, 0.0000927600000000 ] - [ 0.0005656000000000, -0.0013368500000000, 0.0000927600000000 ] - [ -0.0002593500000000, -0.0002308400000000, -0.0012388400000000 ] - [ 0.0002593500000000, 0.0002308400000000, -0.0012388400000000 ] - [ -0.0001430600000000, 0.0005543600000000, -0.0014994800000000 ] - [ 0.0001430600000000, -0.0005543600000000, -0.0014994800000000 ] - [ -0.0001617200000000, -0.0002071600000000, -0.0034709300000000 ] - [ 0.0001617200000000, 0.0002071600000000, -0.0034709300000000 ] - [ -0.0009302700000000, 0.0019808100000000, 0.0042771900000000 ] - [ 0.0009302700000000, -0.0019808100000000, 0.0042771900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006482700000000 ] - [ 0.0000860800000000, 0.0001256900000000, -0.0020845900000000 ] - [ -0.0000860800000000, -0.0001256900000000, -0.0020845900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008916700000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0076314700000000, -0.0050383300000000, 0.0078088300000000 ] - [ 0.0003874200000000, 0.0015049100000000, 0.0010102200000000 ] - [ 0.0004044200000000, 0.0055610400000000, -0.0000322800000000 ] - [ 0.0028717700000000, -0.0002130300000000, -0.0006317200000000 ] - [ -0.0046753400000000, -0.0003093200000000, -0.0027069700000000 ] - [ -0.0001634200000000, 0.0003951600000000, 0.0001958400000000 ] - [ -0.0004076400000000, 0.0003899800000000, 0.0007650800000000 ] - [ 0.0020215200000000, 0.0003298000000000, -0.0000922300000000 ] - [ -0.0263763000000000, -0.0046631100000000, -0.0048129900000000 ] - [ 0.0020066100000000, -0.0008331400000000, 0.0011606500000000 ] - [ 0.0021386200000000, -0.0006857800000000, -0.0008094500000000 ] - [ -0.0007188700000000, 0.0006846700000000, -0.0002719300000000 ] - [ -0.0011002000000000, 0.0000032000000000, -0.0004681300000000 ] - [ 0.0009912200000000, 0.0000086400000000, -0.0007125200000000 ] - [ 0.0015144700000000, 0.0000600700000000, -0.0002820500000000 ] - [ -0.0013882600000000, 0.0000361200000000, 0.0000318300000000 ] - [ -0.0032137500000000, 0.0019745900000000, -0.0001382600000000 ] - [ 0.0016993500000000, -0.0005896900000000, 0.0005007900000000 ] - [ 0.0062026800000000, 0.0000303100000000, 0.0014600900000000 ] - [ -0.0005322700000000, 0.0007828700000000, 0.0007188200000000 ] - [ 0.0050984200000000, -0.0009964600000000, 0.0011288500000000 ] - [ -0.0027373900000000, -0.0033645600000000, -0.0002825600000000 ] - [ -0.0041170800000000, -0.0003901600000000, 0.0027015400000000 ] - [ 0.0010540700000000, -0.0029975700000000, 0.0027543500000000 ] - [ -0.0012336300000000, -0.0023642600000000, -0.0028053600000000 ] - [ -0.0000282500000000, 0.0000494100000000, -0.0005138800000000 ] - [ 0.0066874600000000, 0.0012011800000000, 0.0010089400000000 ] - [ -0.0009871000000000, -0.0000791200000000, -0.0007878700000000 ] - [ -0.0009773300000000, 0.0009056400000000, 0.0004145100000000 ] - [ 0.0009424600000000, -0.0000259600000000, 0.0008448600000000 ] - [ -0.0002103600000000, -0.0007322500000000, -0.0012216200000000 ] - [ 0.0005833300000000, 0.0001710600000000, -0.0003459000000000 ] - [ 0.0008992500000000, 0.0005027000000000, -0.0004348000000000 ] - [ -0.0006263800000000, -0.0006956300000000, -0.0002253900000000 ] - [ -0.0018704900000000, -0.0007189100000000, -0.0021223100000000 ] - [ 0.0006684800000000, -0.0003673100000000, -0.0004784500000000 ] - [ 0.0009257100000000, 0.0010831900000000, 0.0004363000000000 ] - [ -0.0007997800000000, -0.0011218800000000, 0.0000857500000000 ] - [ 0.0015160200000000, 0.0033630200000000, -0.0024429400000000 ] - [ -0.0011140000000000, -0.0001898400000000, -0.0007912400000000 ] - [ -0.0055653200000000, -0.0025107400000000, -0.0013582900000000 ] - [ 0.0030124200000000, -0.0009659200000000, 0.0002228000000000 ] - [ 0.0091801200000000, 0.0101612200000000, -0.0068873500000000 ] - [ 0.0001220200000000, 0.0003043900000000, 0.0003409700000000 ] - [ 0.0001912800000000, -0.0006459600000000, 0.0066731100000000 ] - [ 0.0000925600000000, 0.0009957700000000, 0.0013924000000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0084708200000000, 0.0052513500000000, -0.0079223300000000 ] - [ 0.0004038300000000, -0.0017105500000000, -0.0010629800000000 ] - [ -0.0004529700000000, -0.0055298200000000, 0.0000122400000000 ] - [ -0.0030782000000000, -0.0005756200000000, 0.0006977200000000 ] - [ 0.0049192500000000, 0.0011232200000000, 0.0027395900000000 ] - [ 0.0001525200000000, -0.0003928200000000, -0.0001926400000000 ] - [ 0.0004062200000000, -0.0003938200000000, -0.0000801600000000 ] - [ -0.0019226300000000, -0.0004201800000000, -0.0006564700000000 ] - [ 0.0270310900000000, 0.0053881000000000, 0.0059600700000000 ] - [ -0.0017278300000000, 0.0004350200000000, -0.0002875300000000 ] - [ -0.0025335600000000, 0.0004088900000000, -0.0000620900000000 ] - [ 0.0011249500000000, -0.0004097800000000, -0.0006071300000000 ] - [ 0.0003067800000000, -0.0000173800000000, -0.0007576100000000 ] - [ -0.0001917700000000, 0.0000055000000000, -0.0005116200000000 ] - [ -0.0015006500000000, -0.0008624300000000, 0.0014967800000000 ] - [ 0.0013769000000000, 0.0007655100000000, 0.0011876700000000 ] - [ 0.0032284900000000, -0.0021041000000000, 0.0008522100000000 ] - [ -0.0017218200000000, 0.0007189500000000, 0.0002036800000000 ] - [ -0.0075161800000000, -0.0011359000000000, -0.0011326600000000 ] - [ 0.0018481400000000, 0.0003294100000000, -0.0003840800000000 ] - [ -0.0055965600000000, 0.0008372700000000, -0.0008877000000000 ] - [ 0.0023412800000000, 0.0033104800000000, 0.0006764200000000 ] - [ 0.0040646700000000, 0.0008051400000000, -0.0030967100000000 ] - [ -0.0010159500000000, 0.0026145500000000, -0.0031613300000000 ] - [ 0.0023608000000000, 0.0010405400000000, 0.0024340600000000 ] - [ -0.0010949800000000, 0.0012563800000000, 0.0001834300000000 ] - [ -0.0068174300000000, -0.0012090500000000, -0.0017155100000000 ] - [ 0.0011126800000000, 0.0000922000000000, 0.0000815800000000 ] - [ 0.0009775100000000, -0.0006695500000000, 0.0008407400000000 ] - [ -0.0009205700000000, -0.0002170600000000, 0.0004161600000000 ] - [ -0.0012121100000000, 0.0001117800000000, 0.0006265700000000 ] - [ 0.0008560200000000, 0.0004625400000000, -0.0002556100000000 ] - [ -0.0014371000000000, 0.0003108800000000, 0.0000613200000000 ] - [ 0.0011575600000000, -0.0001144700000000, -0.0001537000000000 ] - [ 0.0010604900000000, 0.0001927700000000, 0.0025088900000000 ] - [ 0.0001470100000000, 0.0008977200000000, 0.0008602800000000 ] - [ -0.0015611900000000, 0.0003494600000000, 0.0001540100000000 ] - [ 0.0014414300000000, -0.0003145800000000, 0.0005210900000000 ] - [ -0.0013058800000000, -0.0033608600000000, 0.0011931200000000 ] - [ 0.0008832700000000, 0.0001716800000000, -0.0004737200000000 ] - [ 0.0055016800000000, 0.0030125100000000, 0.0014506700000000 ] - [ -0.0028968000000000, 0.0004551600000000, -0.0001758800000000 ] - [ -0.0092419300000000, -0.0102209900000000, 0.0068936100000000 ] - [ 0.0003938700000000, -0.0001784700000000, -0.0003890200000000 ] - [ -0.0007930800000000, 0.0004878100000000, -0.0066870000000000 ] - [ -0.0000864500000000, -0.0009974100000000, -0.0013984400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031313200000000, -0.0051913200000000, 0.0009516200000000 ] - [ -0.0005684300000000, 0.0029160100000000, -0.0000103200000000 ] - [ 0.0081857600000000, 0.0076344500000000, 0.0050252900000000 ] - [ 0.0002751200000000, -0.0005079900000000, -0.0005663300000000 ] - [ -0.0001678600000000, 0.0006808800000000, -0.0060699000000000 ] - [ 0.0012645300000000, 0.0000575300000000, -0.0015427600000000 ] - [ 0.0004645500000000, -0.0003917300000000, -0.0000379600000000 ] - [ 0.0003639400000000, 0.0019398900000000, -0.0007259200000000 ] - [ -0.0052965400000000, -0.0279354000000000, 0.0060467600000000 ] - [ -0.0004923400000000, 0.0015469600000000, -0.0002710000000000 ] - [ 0.0002353600000000, -0.0010642100000000, -0.0006194000000000 ] - [ -0.0002347400000000, 0.0024752900000000, 0.0000995100000000 ] - [ -0.0004296000000000, -0.0007089200000000, -0.0008801900000000 ] - [ 0.0003354200000000, 0.0006034700000000, -0.0005862000000000 ] - [ -0.0003336200000000, -0.0017783000000000, 0.0012453300000000 ] - [ 0.0005224100000000, 0.0020032700000000, 0.0015202000000000 ] - [ -0.0002707200000000, 0.0012939200000000, 0.0001868700000000 ] - [ 0.0028754200000000, -0.0042319600000000, 0.0007946400000000 ] - [ 0.0004547400000000, 0.0060484900000000, 0.0006426500000000 ] - [ -0.0016173000000000, -0.0011388800000000, 0.0005472000000000 ] - [ 0.0004887800000000, 0.0065596100000000, -0.0008839700000000 ] - [ -0.0001635500000000, -0.0012502000000000, -0.0004674900000000 ] - [ -0.0010669000000000, 0.0007669000000000, 0.0005462100000000 ] - [ -0.0024125900000000, -0.0020058200000000, 0.0015411300000000 ] - [ -0.0013409100000000, 0.0008261500000000, -0.0030623900000000 ] - [ -0.0012438600000000, -0.0024953000000000, -0.0022290300000000 ] - [ 0.0013057200000000, 0.0068281600000000, -0.0015462600000000 ] - [ -0.0002828800000000, -0.0011867400000000, 0.0002331600000000 ] - [ -0.0000887800000000, 0.0012623500000000, 0.0003230400000000 ] - [ 0.0006183100000000, -0.0011552900000000, 0.0006846800000000 ] - [ -0.0005900500000000, 0.0012012000000000, 0.0003391700000000 ] - [ 0.0004492100000000, -0.0006449900000000, -0.0000966000000000 ] - [ -0.0004083300000000, 0.0008687700000000, 0.0003389800000000 ] - [ 0.0002023900000000, -0.0005319100000000, -0.0000725700000000 ] - [ -0.0000923900000000, 0.0007509100000000, -0.0001057400000000 ] - [ 0.0001379700000000, -0.0007411100000000, 0.0001885200000000 ] - [ -0.0008654900000000, -0.0015061200000000, 0.0036784400000000 ] - [ -0.0004692600000000, -0.0004388400000000, 0.0008081400000000 ] - [ 0.0035476500000000, 0.0008604500000000, 0.0020745700000000 ] - [ -0.0000952700000000, -0.0009028900000000, -0.0004484300000000 ] - [ -0.0070743200000000, 0.0100886600000000, -0.0099468900000000 ] - [ 0.0014765200000000, -0.0002815800000000, -0.0006384500000000 ] - [ 0.0060521300000000, 0.0009448900000000, -0.0000222100000000 ] - [ 0.0007214300000000, 0.0030351800000000, 0.0004391700000000 ] - [ -0.0014261300000000, -0.0049460500000000, 0.0026487600000000 ] - [ 0.0001858400000000, -0.0001578400000000, -0.0000740400000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023698100000000, 0.0053514500000000, -0.0009765700000000 ] - [ 0.0013380900000000, -0.0031066300000000, -0.0000466700000000 ] - [ -0.0081239800000000, -0.0075802300000000, -0.0050131600000000 ] - [ -0.0004782600000000, -0.0002607700000000, 0.0006230700000000 ] - [ 0.0003834000000000, 0.0001560700000000, 0.0061599900000000 ] - [ -0.0012632000000000, -0.0000605000000000, 0.0015366500000000 ] - [ -0.0004600000000000, 0.0003965800000000, 0.0007249100000000 ] - [ -0.0002731300000000, -0.0020364700000000, -0.0000249900000000 ] - [ 0.0047549400000000, 0.0272297000000000, -0.0048240400000000 ] - [ 0.0007740400000000, -0.0019418400000000, 0.0011437200000000 ] - [ -0.0006330300000000, 0.0007800900000000, -0.0002572600000000 ] - [ 0.0006327500000000, -0.0021967900000000, -0.0009710300000000 ] - [ -0.0003669200000000, 0.0006937400000000, -0.0003552000000000 ] - [ 0.0004623000000000, -0.0005883100000000, -0.0006489600000000 ] - [ 0.0003456800000000, 0.0009803300000000, -0.0000196700000000 ] - [ -0.0005312000000000, -0.0011983800000000, -0.0003005200000000 ] - [ 0.0002746200000000, -0.0013987900000000, 0.0005204300000000 ] - [ -0.0028768600000000, 0.0043461200000000, -0.0000739100000000 ] - [ -0.0015954500000000, -0.0062314100000000, -0.0005192300000000 ] - [ 0.0029167800000000, 0.0022565600000000, -0.0002121700000000 ] - [ -0.0001325500000000, -0.0065077100000000, 0.0012742300000000 ] - [ -0.0002396100000000, 0.0011755600000000, 0.0008652400000000 ] - [ 0.0010026000000000, -0.0003695900000000, -0.0009259400000000 ] - [ 0.0025070700000000, 0.0016035900000000, -0.0019537400000000 ] - [ 0.0024577100000000, -0.0021050400000000, 0.0027138900000000 ] - [ 0.0001012800000000, 0.0037954300000000, 0.0018818200000000 ] - [ -0.0014215100000000, -0.0068112000000000, 0.0008082600000000 ] - [ 0.0003942800000000, 0.0011908900000000, -0.0009433500000000 ] - [ 0.0000837100000000, -0.0010245800000000, 0.0009347500000000 ] - [ -0.0005979100000000, 0.0009094600000000, 0.0005634900000000 ] - [ -0.0008353300000000, -0.0018172800000000, -0.0009350300000000 ] - [ 0.0009766000000000, 0.0012832100000000, -0.0005115700000000 ] - [ -0.0001299500000000, -0.0000625000000000, -0.0007140700000000 ] - [ 0.0003313700000000, -0.0002791900000000, -0.0003060900000000 ] - [ -0.0007210300000000, -0.0012803000000000, 0.0004766900000000 ] - [ 0.0006792500000000, 0.0012672200000000, 0.0001964400000000 ] - [ 0.0002255300000000, 0.0029235100000000, -0.0030588100000000 ] - [ 0.0011028700000000, -0.0009831700000000, -0.0001980800000000 ] - [ -0.0032920700000000, -0.0008160300000000, -0.0033089100000000 ] - [ -0.0001371400000000, 0.0008868800000000, -0.0008089000000000 ] - [ 0.0069463700000000, -0.0094948300000000, 0.0099362500000000 ] - [ -0.0013493300000000, -0.0002447600000000, 0.0006895800000000 ] - [ -0.0060841000000000, -0.0008712300000000, -0.0000169500000000 ] - [ -0.0001906300000000, -0.0029024400000000, -0.0004753700000000 ] - [ 0.0008591400000000, 0.0047722100000000, -0.0027237800000000 ] - [ -0.0001869700000000, 0.0001713600000000, 0.0000745600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0054429000000000, 0.0003475700000000, 0.0003254600000000 ] - [ 0.0007883200000000, -0.0004033800000000, -0.0001713500000000 ] - [ -0.0009363800000000, 0.0027421200000000, -0.0050298800000000 ] - [ 0.0014152400000000, -0.0016838600000000, -0.0003315100000000 ] - [ -0.0049417700000000, -0.0083175100000000, 0.0077752500000000 ] - [ 0.0000166200000000, 0.0008535900000000, 0.0030389400000000 ] - [ 0.0003487800000000, -0.0004308800000000, 0.0002147400000000 ] - [ 0.0007245800000000, -0.0006856700000000, 0.0019646800000000 ] - [ -0.0056897100000000, 0.0057480200000000, -0.0339956600000000 ] - [ -0.0005870200000000, 0.0005117800000000, -0.0008688300000000 ] - [ 0.0003406300000000, -0.0003060000000000, -0.0013519400000000 ] - [ 0.0003757600000000, -0.0002375200000000, -0.0013543800000000 ] - [ -0.0010387600000000, 0.0005488400000000, 0.0015447000000000 ] - [ 0.0004390400000000, 0.0000282700000000, -0.0000456700000000 ] - [ -0.0006760200000000, -0.0006775300000000, 0.0022267000000000 ] - [ 0.0002240900000000, 0.0010637800000000, 0.0021330100000000 ] - [ -0.0006196600000000, 0.0001446100000000, 0.0009876700000000 ] - [ -0.0005875600000000, 0.0011844500000000, 0.0010012900000000 ] - [ 0.0004817200000000, -0.0009248100000000, 0.0067708700000000 ] - [ 0.0009021000000000, 0.0001034300000000, 0.0011036400000000 ] - [ 0.0005996300000000, -0.0013466700000000, 0.0070254400000000 ] - [ 0.0003120300000000, -0.0001577100000000, 0.0013496900000000 ] - [ -0.0006554000000000, 0.0001241300000000, 0.0015018800000000 ] - [ 0.0030411700000000, 0.0016241200000000, 0.0013966400000000 ] - [ -0.0023789900000000, -0.0038001800000000, 0.0010259600000000 ] - [ -0.0004330800000000, 0.0008819300000000, 0.0011934000000000 ] - [ 0.0000248800000000, -0.0015103900000000, 0.0116176600000000 ] - [ -0.0003708800000000, 0.0005021300000000, 0.0002916400000000 ] - [ -0.0035372200000000, 0.0008732200000000, -0.0014889000000000 ] - [ -0.0005834800000000, 0.0023775000000000, -0.0007249900000000 ] - [ -0.0015470000000000, -0.0033134200000000, -0.0045357400000000 ] - [ 0.0004400200000000, 0.0003303500000000, -0.0010715600000000 ] - [ 0.0019285600000000, 0.0011757900000000, -0.0034371400000000 ] - [ 0.0000061100000000, -0.0002014700000000, -0.0011285300000000 ] - [ -0.0005821000000000, -0.0009412200000000, -0.0009971100000000 ] - [ 0.0000617600000000, 0.0005445000000000, -0.0009981400000000 ] - [ 0.0005584100000000, 0.0010439300000000, -0.0009459500000000 ] - [ 0.0002521600000000, -0.0004867300000000, -0.0007684800000000 ] - [ -0.0017521400000000, 0.0027609800000000, -0.0021280600000000 ] - [ -0.0003689600000000, 0.0001089200000000, -0.0006768500000000 ] - [ -0.0004865800000000, -0.0062751600000000, 0.0008758100000000 ] - [ 0.0002230200000000, -0.0004023000000000, -0.0001532100000000 ] - [ -0.0026287800000000, 0.0013668200000000, -0.0051960000000000 ] - [ 0.0013910000000000, -0.0012803100000000, -0.0004370200000000 ] - [ 0.0107095800000000, 0.0066151500000000, 0.0094311200000000 ] - [ -0.0006466400000000, -0.0002231700000000, 0.0030407100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0062416000000000, -0.0001644500000000, -0.0003552100000000 ] - [ -0.0000231200000000, 0.0002043200000000, 0.0001022600000000 ] - [ 0.0009086300000000, -0.0027581900000000, 0.0049850200000000 ] - [ -0.0016093600000000, 0.0009153700000000, 0.0003962000000000 ] - [ 0.0051308500000000, 0.0090256900000000, -0.0076471300000000 ] - [ -0.0000127300000000, -0.0008409100000000, -0.0030380200000000 ] - [ -0.0003470600000000, 0.0004283900000000, 0.0004756900000000 ] - [ -0.0006885700000000, 0.0006488200000000, -0.0026977700000000 ] - [ 0.0050826200000000, -0.0051183700000000, 0.0337348200000000 ] - [ 0.0008634500000000, -0.0009048400000000, 0.0017427700000000 ] - [ -0.0007316800000000, 0.0000261300000000, 0.0004632200000000 ] - [ 0.0000188400000000, 0.0005115000000000, 0.0004630000000000 ] - [ 0.0002333000000000, -0.0005543500000000, -0.0027862200000000 ] - [ 0.0003582300000000, -0.0000164900000000, -0.0011969400000000 ] - [ 0.0006939200000000, -0.0001260400000000, -0.0009953600000000 ] - [ -0.0002323400000000, -0.0002681000000000, -0.0009070800000000 ] - [ 0.0006226400000000, -0.0002952200000000, -0.0002178500000000 ] - [ 0.0005674200000000, -0.0010225100000000, -0.0002363300000000 ] - [ -0.0017885900000000, -0.0001224600000000, -0.0064351400000000 ] - [ 0.0004142200000000, 0.0009836500000000, -0.0007655100000000 ] - [ -0.0002388300000000, 0.0013998600000000, -0.0066041700000000 ] - [ -0.0006889900000000, 0.0000847200000000, -0.0009379500000000 ] - [ 0.0005919900000000, 0.0002378000000000, -0.0019083600000000 ] - [ -0.0029658200000000, -0.0019939300000000, -0.0017904700000000 ] - [ 0.0034436400000000, 0.0024763000000000, -0.0013537100000000 ] - [ -0.0006292900000000, 0.0004327100000000, -0.0015257700000000 ] - [ 0.0000700800000000, 0.0013289900000000, -0.0111728300000000 ] - [ 0.0005341300000000, -0.0004917100000000, -0.0010849500000000 ] - [ 0.0035006800000000, -0.0006286300000000, 0.0026785500000000 ] - [ 0.0006096500000000, -0.0026099100000000, 0.0019171700000000 ] - [ 0.0000768000000000, 0.0026901300000000, 0.0039196500000000 ] - [ 0.0010279300000000, 0.0002871100000000, 0.0004660900000000 ] - [ -0.0024219600000000, -0.0003091900000000, 0.0030133600000000 ] - [ 0.0004921700000000, -0.0006647500000000, 0.0007081700000000 ] - [ -0.0002800300000000, 0.0004471800000000, 0.0013987500000000 ] - [ 0.0008056300000000, -0.0000394400000000, 0.0014027700000000 ] - [ -0.0011811700000000, 0.0004266200000000, 0.0015256000000000 ] - [ 0.0003613100000000, -0.0009821900000000, 0.0013611700000000 ] - [ 0.0020147100000000, -0.0027659100000000, 0.0009162800000000 ] - [ 0.0001248300000000, -0.0001428600000000, -0.0005246900000000 ] - [ 0.0003990800000000, 0.0068126600000000, -0.0007782700000000 ] - [ -0.0001001200000000, -0.0000987100000000, 0.0001911000000000 ] - [ 0.0026491500000000, -0.0013274300000000, 0.0051387300000000 ] - [ -0.0008864900000000, 0.0013976500000000, 0.0003948600000000 ] - [ -0.0111594500000000, -0.0067365000000000, -0.0093967100000000 ] - [ 0.0006312900000000, 0.0002174800000000, -0.0030387900000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014053200000000, -0.0001989100000000, -0.0045419000000000 ] - [ -0.0003173200000000, -0.0000864100000000, -0.0004746400000000 ] - [ 0.0006450800000000, 0.0008855300000000, -0.0014000700000000 ] - [ 0.0026846800000000, -0.0005100000000000, 0.0000743800000000 ] - [ -0.0037126500000000, -0.0027976800000000, 0.0001435500000000 ] - [ 0.0084641400000000, 0.0056642100000000, 0.0042141900000000 ] - [ 0.0045795300000000, -0.0028358000000000, 0.0041148500000000 ] - [ -0.0003391700000000, 0.0002267000000000, -0.0004394100000000 ] - [ -0.0008425500000000, 0.0001704100000000, -0.0001987300000000 ] - [ 0.0007360900000000, -0.0002643600000000, 0.0003976400000000 ] - [ 0.0014059400000000, 0.0002250200000000, 0.0002256600000000 ] - [ -0.0011761600000000, -0.0003229600000000, -0.0001612500000000 ] - [ -0.0323008100000000, 0.0013577500000000, -0.0017877900000000 ] - [ 0.0021713200000000, -0.0015290700000000, -0.0007527400000000 ] - [ 0.0019543400000000, -0.0006384200000000, 0.0009535500000000 ] - [ -0.0005156400000000, 0.0006362700000000, 0.0007198500000000 ] - [ -0.0009270400000000, 0.0004034600000000, 0.0003911500000000 ] - [ 0.0014687200000000, -0.0001814500000000, -0.0003223600000000 ] - [ 0.0003996600000000, -0.0005077100000000, 0.0003489100000000 ] - [ -0.0004798000000000, 0.0004381400000000, 0.0005051400000000 ] - [ 0.0009888800000000, -0.0000945700000000, 0.0007032400000000 ] - [ -0.0001613900000000, -0.0000679900000000, 0.0003188300000000 ] - [ -0.0007958500000000, -0.0004843800000000, -0.0004756500000000 ] - [ 0.0011476200000000, 0.0001621200000000, -0.0000226300000000 ] - [ -0.0016634900000000, -0.0010779400000000, 0.0021712000000000 ] - [ -0.0005498400000000, -0.0000553700000000, 0.0004951300000000 ] - [ 0.0001443300000000, 0.0029360400000000, 0.0023726600000000 ] - [ -0.0009918800000000, -0.0001891200000000, -0.0000673100000000 ] - [ -0.0035592800000000, 0.0023434200000000, 0.0009549400000000 ] - [ 0.0006257400000000, -0.0001191100000000, 0.0006139700000000 ] - [ 0.0125991500000000, 0.0007333000000000, -0.0006433500000000 ] - [ -0.0008592300000000, -0.0013685100000000, 0.0000624500000000 ] - [ 0.0038984800000000, 0.0011882700000000, -0.0012040200000000 ] - [ -0.0003909200000000, -0.0007196300000000, -0.0008932800000000 ] - [ -0.0010744900000000, -0.0033146900000000, 0.0022463700000000 ] - [ 0.0012202900000000, -0.0004506500000000, 0.0003188700000000 ] - [ 0.0003695500000000, -0.0012600300000000, -0.0032998900000000 ] - [ -0.0026540800000000, -0.0009622400000000, -0.0011935200000000 ] - [ 0.0043520700000000, 0.0010010300000000, -0.0011726500000000 ] - [ -0.0011074800000000, 0.0000708400000000, 0.0001953300000000 ] - [ -0.0046974900000000, -0.0003711900000000, 0.0035288000000000 ] - [ 0.0029306100000000, -0.0001722400000000, 0.0000424700000000 ] - [ -0.0007980300000000, 0.0004496000000000, -0.0000602000000000 ] - [ 0.0010505800000000, 0.0013189400000000, -0.0009050400000000 ] - [ 0.0089917900000000, -0.0051866200000000, -0.0071890800000000 ] - [ -0.0015086900000000, 0.0055559500000000, 0.0010923700000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006616300000000, 0.0004106900000000, 0.0044956000000000 ] - [ 0.0011114000000000, -0.0001127400000000, 0.0004209600000000 ] - [ -0.0006445800000000, -0.0008850500000000, 0.0013937300000000 ] - [ -0.0028814900000000, -0.0002861700000000, -0.0000200700000000 ] - [ 0.0038786800000000, 0.0035898100000000, -0.0000693700000000 ] - [ -0.0083960200000000, -0.0056250800000000, -0.0042014800000000 ] - [ -0.0046282900000000, 0.0029263500000000, -0.0035471300000000 ] - [ 0.0003415500000000, -0.0002255900000000, -0.0002518700000000 ] - [ 0.0005591900000000, 0.0002309800000000, 0.0010738900000000 ] - [ -0.0004534000000000, -0.0001341500000000, 0.0004791400000000 ] - [ -0.0018005500000000, -0.0005029100000000, -0.0011064300000000 ] - [ 0.0015739200000000, 0.0005994200000000, -0.0007138100000000 ] - [ 0.0302708800000000, -0.0015928100000000, 0.0008625100000000 ] - [ -0.0013718300000000, 0.0015548400000000, -0.0004874500000000 ] - [ -0.0019417100000000, -0.0001670200000000, 0.0002811900000000 ] - [ 0.0005010600000000, 0.0001656100000000, 0.0005043400000000 ] - [ 0.0009271000000000, -0.0005193800000000, 0.0003083900000000 ] - [ -0.0014713100000000, 0.0003051200000000, 0.0010304600000000 ] - [ -0.0016937700000000, -0.0006182700000000, -0.0000123200000000 ] - [ 0.0017873200000000, 0.0006812100000000, -0.0001791600000000 ] - [ -0.0005871200000000, 0.0001490700000000, -0.0003093900000000 ] - [ -0.0002465600000000, 0.0000091000000000, 0.0000723200000000 ] - [ 0.0007290500000000, 0.0008980100000000, 0.0000936500000000 ] - [ -0.0010894000000000, -0.0005617000000000, -0.0003742600000000 ] - [ 0.0027846200000000, -0.0002302000000000, -0.0024986200000000 ] - [ -0.0005806600000000, 0.0013572400000000, -0.0008256500000000 ] - [ -0.0002405800000000, -0.0029265500000000, -0.0030629200000000 ] - [ 0.0011078200000000, 0.0001982500000000, -0.0006350300000000 ] - [ 0.0035405000000000, -0.0021075900000000, 0.0003071100000000 ] - [ -0.0005947300000000, -0.0001195300000000, 0.0006417400000000 ] - [ -0.0129694200000000, -0.0013198100000000, -0.0000872800000000 ] - [ 0.0022835400000000, 0.0019981700000000, -0.0006632900000000 ] - [ -0.0044190400000000, -0.0003300200000000, 0.0008331500000000 ] - [ 0.0009142900000000, -0.0000849100000000, 0.0005179500000000 ] - [ 0.0002438100000000, 0.0028012600000000, -0.0018824900000000 ] - [ -0.0004132800000000, 0.0009794600000000, 0.0000661100000000 ] - [ -0.0009835500000000, 0.0026648700000000, 0.0038893400000000 ] - [ 0.0032916600000000, -0.0004686900000000, 0.0017902400000000 ] - [ -0.0041019400000000, -0.0009816900000000, -0.0001153800000000 ] - [ 0.0008702000000000, -0.0000944200000000, -0.0014677300000000 ] - [ 0.0045316800000000, 0.0008708000000000, -0.0034958200000000 ] - [ -0.0028025700000000, -0.0003504600000000, 0.0000231200000000 ] - [ 0.0008116900000000, -0.0004531400000000, 0.0000592800000000 ] - [ -0.0005265900000000, -0.0011886100000000, 0.0008569500000000 ] - [ -0.0094449700000000, 0.0050639900000000, 0.0071158600000000 ] - [ 0.0015617900000000, -0.0055677100000000, -0.0011101000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006444300000000, -0.0040688500000000, -0.0032719100000000 ] - [ 0.0002853900000000, 0.0027154900000000, -0.0002845200000000 ] - [ 0.0005385000000000, -0.0006746900000000, 0.0002412000000000 ] - [ 0.0012305800000000, 0.0003207700000000, 0.0010845500000000 ] - [ -0.0040145500000000, 0.0083003700000000, 0.0059007100000000 ] - [ 0.0049086000000000, -0.0012125300000000, -0.0004026000000000 ] - [ -0.0028869600000000, 0.0046727100000000, -0.0036212600000000 ] - [ 0.0001771100000000, -0.0003317400000000, -0.0001812400000000 ] - [ -0.0001305900000000, -0.0004949400000000, 0.0009894100000000 ] - [ 0.0001416900000000, 0.0003980600000000, 0.0004154800000000 ] - [ -0.0007258900000000, -0.0015183300000000, -0.0006653800000000 ] - [ 0.0005386800000000, 0.0016489900000000, -0.0011249800000000 ] - [ 0.0012149900000000, -0.0314977300000000, 0.0008212100000000 ] - [ -0.0011500100000000, 0.0018737200000000, -0.0004275500000000 ] - [ 0.0003303000000000, -0.0009054600000000, 0.0004533900000000 ] - [ -0.0003275400000000, 0.0023479800000000, 0.0003254600000000 ] - [ -0.0000330900000000, 0.0011817000000000, 0.0008376500000000 ] - [ 0.0005829800000000, -0.0007629000000000, 0.0002011500000000 ] - [ -0.0009599800000000, 0.0003186500000000, -0.0006690200000000 ] - [ 0.0006300500000000, 0.0006060500000000, 0.0000499800000000 ] - [ 0.0002565700000000, 0.0007921600000000, 0.0001820100000000 ] - [ -0.0004156700000000, -0.0010889400000000, 0.0000204100000000 ] - [ -0.0005835800000000, 0.0002293700000000, -0.0010178500000000 ] - [ -0.0002583000000000, -0.0018420100000000, -0.0018449300000000 ] - [ 0.0011516700000000, 0.0006747700000000, -0.0005373800000000 ] - [ -0.0013731000000000, -0.0003519800000000, -0.0001579100000000 ] - [ 0.0031187200000000, 0.0008105200000000, -0.0024462300000000 ] - [ -0.0002664100000000, -0.0010848300000000, -0.0005586400000000 ] - [ -0.0001770300000000, 0.0009859900000000, 0.0006591500000000 ] - [ 0.0015757300000000, -0.0029418900000000, 0.0002459600000000 ] - [ -0.0003748300000000, 0.0037957600000000, 0.0007560100000000 ] - [ 0.0005120800000000, -0.0004905500000000, 0.0002521700000000 ] - [ -0.0001250900000000, 0.0131247400000000, 0.0008820800000000 ] - [ -0.0020820400000000, -0.0024716400000000, -0.0006772300000000 ] - [ -0.0029638700000000, -0.0003086500000000, 0.0035381000000000 ] - [ 0.0002034900000000, -0.0035339800000000, 0.0023427700000000 ] - [ -0.0023225400000000, 0.0000249500000000, -0.0026947300000000 ] - [ -0.0000710400000000, 0.0000145600000000, 0.0002988600000000 ] - [ 0.0010058700000000, 0.0041975500000000, 0.0002215100000000 ] - [ 0.0002404600000000, -0.0007510700000000, -0.0013345800000000 ] - [ -0.0008590100000000, -0.0009158500000000, 0.0051522600000000 ] - [ -0.0001172200000000, -0.0011062700000000, 0.0003918300000000 ] - [ 0.0006311100000000, 0.0007036400000000, 0.0012872600000000 ] - [ 0.0003518100000000, 0.0029259900000000, 0.0001447700000000 ] - [ -0.0036666900000000, -0.0041536100000000, -0.0005433300000000 ] - [ 0.0069030700000000, 0.0098439400000000, -0.0052341000000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001207100000000, 0.0043040500000000, 0.0032031400000000 ] - [ 0.0004940700000000, -0.0029199200000000, 0.0002408800000000 ] - [ -0.0005359400000000, 0.0006636700000000, -0.0002420500000000 ] - [ -0.0014374800000000, -0.0011009100000000, -0.0010261000000000 ] - [ 0.0042251700000000, -0.0075846000000000, -0.0058791100000000 ] - [ -0.0048994600000000, 0.0011721400000000, 0.0003962900000000 ] - [ 0.0027949400000000, -0.0046214600000000, 0.0041833900000000 ] - [ -0.0001778900000000, 0.0003299700000000, -0.0005061100000000 ] - [ -0.0001518100000000, 0.0008986600000000, -0.0001119400000000 ] - [ 0.0001394600000000, -0.0007997800000000, 0.0004623300000000 ] - [ 0.0003269300000000, 0.0012386500000000, -0.0002097800000000 ] - [ -0.0001414800000000, -0.0013737500000000, 0.0002418300000000 ] - [ -0.0017323100000000, 0.0327430400000000, -0.0018161900000000 ] - [ 0.0019351300000000, -0.0018620300000000, -0.0008125000000000 ] - [ -0.0003185600000000, 0.0001093000000000, 0.0007739800000000 ] - [ 0.0003203500000000, -0.0015495300000000, 0.0009129900000000 ] - [ 0.0000330200000000, -0.0012975800000000, -0.0001201200000000 ] - [ -0.0005861800000000, 0.0008887300000000, 0.0005173300000000 ] - [ -0.0003446600000000, -0.0014421800000000, 0.0010031000000000 ] - [ 0.0006827300000000, 0.0005228200000000, 0.0002785400000000 ] - [ 0.0001461100000000, -0.0007427200000000, 0.0002197700000000 ] - [ 0.0000130900000000, 0.0010317100000000, 0.0003774500000000 ] - [ 0.0005261400000000, 0.0001739500000000, 0.0006243500000000 ] - [ 0.0003171600000000, 0.0014440600000000, 0.0014512200000000 ] - [ -0.0000209000000000, -0.0019895800000000, 0.0001987400000000 ] - [ 0.0002319100000000, 0.0016676200000000, -0.0001685800000000 ] - [ -0.0032506400000000, -0.0008391700000000, 0.0017370200000000 ] - [ 0.0003774300000000, 0.0010899900000000, -0.0001562900000000 ] - [ 0.0001536900000000, -0.0007557000000000, 0.0005764700000000 ] - [ -0.0015534300000000, 0.0026980700000000, 0.0009973100000000 ] - [ -0.0010887200000000, -0.0044449300000000, -0.0013726800000000 ] - [ 0.0008948400000000, 0.0011339600000000, -0.0008712300000000 ] - [ -0.0005209300000000, -0.0134062700000000, -0.0013255800000000 ] - [ 0.0026275800000000, 0.0016729000000000, 0.0003001500000000 ] - [ 0.0021785500000000, -0.0002534800000000, -0.0031782900000000 ] - [ 0.0006069700000000, 0.0040706700000000, -0.0019623700000000 ] - [ 0.0016740900000000, 0.0013988300000000, 0.0032974000000000 ] - [ 0.0007092200000000, -0.0014208500000000, 0.0003261800000000 ] - [ -0.0007572600000000, -0.0041791800000000, -0.0014791300000000 ] - [ -0.0004769000000000, 0.0007297800000000, 0.0000857400000000 ] - [ 0.0007142400000000, 0.0013915600000000, -0.0051018900000000 ] - [ 0.0002376600000000, 0.0005689000000000, -0.0003477300000000 ] - [ -0.0006316100000000, -0.0007034900000000, -0.0012931900000000 ] - [ 0.0001884700000000, -0.0028069300000000, -0.0001889100000000 ] - [ 0.0031291100000000, 0.0040713500000000, 0.0005301900000000 ] - [ -0.0069311500000000, -0.0099203500000000, 0.0052340300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0058098500000000, -0.0039148500000000, 0.0081501300000000 ] - [ -0.0004429300000000, 0.0012671200000000, 0.0009937900000000 ] - [ 0.0002266500000000, -0.0000218400000000, 0.0027232500000000 ] - [ -0.0002229200000000, 0.0001859800000000, -0.0006412100000000 ] - [ 0.0002875600000000, 0.0052978000000000, -0.0010444600000000 ] - [ 0.0031436600000000, -0.0001992100000000, -0.0040434800000000 ] - [ 0.0042589800000000, -0.0042327500000000, 0.0072840000000000 ] - [ -0.0001792300000000, 0.0001392700000000, -0.0008612100000000 ] - [ 0.0000077600000000, -0.0000621700000000, 0.0026108500000000 ] - [ 0.0002373100000000, -0.0002315200000000, 0.0010185000000000 ] - [ 0.0007085000000000, 0.0004406400000000, 0.0010894200000000 ] - [ -0.0004314200000000, -0.0007499600000000, 0.0011805800000000 ] - [ -0.0015617300000000, 0.0011129300000000, -0.0300973000000000 ] - [ 0.0005358100000000, -0.0001878600000000, -0.0021324800000000 ] - [ -0.0002837100000000, -0.0005088900000000, 0.0001423700000000 ] - [ 0.0001507900000000, 0.0007419100000000, 0.0001398100000000 ] - [ 0.0015080800000000, -0.0003136100000000, -0.0014874800000000 ] - [ 0.0003819900000000, -0.0021971300000000, -0.0020482400000000 ] - [ -0.0027839700000000, -0.0006555100000000, -0.0034748500000000 ] - [ 0.0007913400000000, 0.0003514500000000, -0.0009714200000000 ] - [ 0.0004431800000000, 0.0015088600000000, -0.0026772700000000 ] - [ -0.0000590600000000, -0.0002873200000000, -0.0009572400000000 ] - [ -0.0000779900000000, -0.0006405300000000, -0.0011568400000000 ] - [ -0.0003886200000000, -0.0001489000000000, -0.0009658300000000 ] - [ 0.0006626500000000, -0.0000887600000000, -0.0007994000000000 ] - [ 0.0001458500000000, 0.0009454800000000, -0.0009039500000000 ] - [ 0.0029240000000000, -0.0019760300000000, -0.0013778900000000 ] - [ 0.0000596300000000, 0.0000049800000000, -0.0003106600000000 ] - [ 0.0007464300000000, -0.0001416300000000, 0.0014232500000000 ] - [ 0.0001077200000000, -0.0005594500000000, 0.0013155100000000 ] - [ -0.0017147200000000, 0.0006274400000000, 0.0039321600000000 ] - [ 0.0004589900000000, 0.0001793700000000, 0.0008851600000000 ] - [ -0.0013135900000000, 0.0009204100000000, 0.0040314100000000 ] - [ 0.0006239800000000, 0.0000502000000000, 0.0012555500000000 ] - [ 0.0016321000000000, 0.0032225700000000, 0.0007534900000000 ] - [ 0.0002812600000000, 0.0000866400000000, 0.0010722700000000 ] - [ -0.0034509500000000, -0.0018017000000000, 0.0001433400000000 ] - [ 0.0003615200000000, -0.0006302600000000, 0.0008979100000000 ] - [ -0.0010951800000000, 0.0002968900000000, 0.0092075600000000 ] - [ 0.0008141900000000, -0.0006843800000000, -0.0010118600000000 ] - [ 0.0051143200000000, 0.0068712500000000, 0.0095004400000000 ] - [ -0.0012417400000000, 0.0002280300000000, 0.0011681000000000 ] - [ -0.0002262300000000, 0.0000069200000000, 0.0027665100000000 ] - [ -0.0002358500000000, 0.0000417100000000, -0.0008015600000000 ] - [ -0.0057099900000000, -0.0008081600000000, -0.0014209300000000 ] - [ 0.0006154300000000, -0.0034854400000000, -0.0044998300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0050040600000000, 0.0041082300000000, -0.0081606500000000 ] - [ 0.0012075800000000, -0.0014646900000000, -0.0010694300000000 ] - [ -0.0002142500000000, 0.0000266400000000, -0.0027179000000000 ] - [ 0.0000216400000000, -0.0009526800000000, 0.0007255700000000 ] - [ -0.0000957800000000, -0.0045449600000000, 0.0011620300000000 ] - [ -0.0031551700000000, 0.0001803700000000, 0.0040080400000000 ] - [ -0.0044508600000000, 0.0044258200000000, -0.0067911900000000 ] - [ 0.0001761400000000, -0.0001373000000000, 0.0001695300000000 ] - [ -0.0002814600000000, 0.0004535100000000, -0.0017337000000000 ] - [ 0.0000404900000000, -0.0001636400000000, -0.0001375500000000 ] - [ -0.0011084000000000, -0.0007158700000000, -0.0019661100000000 ] - [ 0.0008236200000000, 0.0010295400000000, -0.0020583900000000 ] - [ 0.0010947400000000, -0.0015213400000000, 0.0279535400000000 ] - [ 0.0002687400000000, 0.0001941100000000, 0.0008971100000000 ] - [ 0.0002951000000000, -0.0002900900000000, 0.0010849700000000 ] - [ -0.0001645800000000, 0.0000632300000000, 0.0010837500000000 ] - [ -0.0015007800000000, 0.0001596000000000, 0.0022623100000000 ] - [ -0.0003835100000000, 0.0023436200000000, 0.0028173000000000 ] - [ 0.0014703500000000, -0.0004424600000000, 0.0038197000000000 ] - [ 0.0005181700000000, 0.0007405600000000, 0.0013130700000000 ] - [ -0.0000573600000000, -0.0014369300000000, 0.0030916300000000 ] - [ -0.0003152200000000, 0.0002294200000000, 0.0013742900000000 ] - [ 0.0000278000000000, 0.0010099200000000, 0.0007357400000000 ] - [ 0.0004492700000000, -0.0002228700000000, 0.0005453200000000 ] - [ 0.0004212400000000, -0.0012218300000000, 0.0004455900000000 ] - [ -0.0012226900000000, 0.0003606400000000, 0.0005605000000000 ] - [ -0.0030979300000000, 0.0019875200000000, 0.0005862400000000 ] - [ 0.0000963700000000, 0.0000010900000000, -0.0004772400000000 ] - [ -0.0007724100000000, 0.0003760600000000, -0.0002278500000000 ] - [ -0.0000745100000000, 0.0003149500000000, -0.0001184900000000 ] - [ 0.0002162500000000, -0.0012519000000000, -0.0045297900000000 ] - [ 0.0010049100000000, 0.0004460600000000, -0.0014882500000000 ] - [ 0.0008071400000000, -0.0000157600000000, -0.0044341000000000 ] - [ -0.0001332700000000, -0.0009180200000000, -0.0016708800000000 ] - [ -0.0024873700000000, -0.0037020100000000, -0.0003098200000000 ] - [ 0.0005791500000000, 0.0004110500000000, -0.0006412200000000 ] - [ 0.0028119900000000, 0.0032542100000000, 0.0004796800000000 ] - [ 0.0002606600000000, -0.0008258500000000, -0.0002806700000000 ] - [ 0.0012667200000000, -0.0001402100000000, -0.0095071200000000 ] - [ -0.0010568000000000, 0.0006506800000000, -0.0001804600000000 ] - [ -0.0052441500000000, -0.0063364700000000, -0.0093960600000000 ] - [ 0.0013610100000000, -0.0007278400000000, -0.0011364500000000 ] - [ 0.0002201000000000, -0.0000219100000000, -0.0027606900000000 ] - [ 0.0007385900000000, 0.0000835100000000, 0.0007796900000000 ] - [ 0.0052214700000000, 0.0007042600000000, 0.0014422700000000 ] - [ -0.0005868100000000, 0.0035000400000000, 0.0044561500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0906272700000000, -0.0491803200000000, -0.0390181700000000 ] - [ 0.0027562000000000, 0.0000509500000000, 0.0008971200000000 ] - [ -0.0102686300000000, -0.0019178100000000, 0.0049544800000000 ] - [ 0.0029053900000000, -0.0001785000000000, 0.0000142000000000 ] - [ -0.0026419300000000, 0.0004555000000000, -0.0004973800000000 ] - [ -0.0083321300000000, 0.0029937000000000, -0.0031402700000000 ] - [ -0.0005049100000000, 0.0008067300000000, 0.0018298600000000 ] - [ 0.0012674500000000, 0.0001741400000000, -0.0002134800000000 ] - [ -0.0033601000000000, -0.0000710400000000, -0.0001823600000000 ] - [ 0.0018506600000000, 0.0026780400000000, 0.0010189200000000 ] - [ 0.0066438700000000, -0.0013468400000000, -0.0018794800000000 ] - [ -0.0009838800000000, 0.0002242700000000, -0.0009373300000000 ] - [ -0.0013236400000000, -0.0000394100000000, 0.0008974400000000 ] - [ 0.0018677600000000, 0.0005900200000000, -0.0010034200000000 ] - [ 0.0008234800000000, -0.0033313000000000, -0.0013706300000000 ] - [ -0.0010939400000000, 0.0005933800000000, 0.0006100500000000 ] - [ -0.2132821900000000, 0.1602793400000000, -0.0012287100000000 ] - [ 0.0017636000000000, 0.0021110300000000, 0.0006536900000000 ] - [ 0.0057234100000000, 0.0006550100000000, 0.0026794800000000 ] - [ 0.0132755000000000, -0.0197280600000000, -0.0032235900000000 ] - [ 0.0064666300000000, -0.0129551300000000, 0.0046877900000000 ] - [ -0.0026079300000000, -0.0024252600000000, 0.0001940300000000 ] - [ -0.0031873200000000, -0.0003712300000000, 0.0018131000000000 ] - [ 0.0009300700000000, -0.0017512400000000, 0.0018523600000000 ] - [ 0.0034299200000000, 0.0012437500000000, -0.0044793900000000 ] - [ 0.0016464500000000, -0.0002647100000000, -0.0014637300000000 ] - [ 0.0022438900000000, 0.0013262500000000, 0.0000810400000000 ] - [ -0.0008602200000000, -0.0013265300000000, -0.0009225000000000 ] - [ -0.0008025300000000, 0.0014225900000000, 0.0006061800000000 ] - [ 0.0015167600000000, -0.0012078500000000, 0.0004962100000000 ] - [ 0.0019505800000000, 0.0006585500000000, 0.0001447400000000 ] - [ 0.0015691900000000, -0.0018856200000000, 0.0013489000000000 ] - [ 0.0008867500000000, -0.0001366200000000, -0.0011686300000000 ] - [ -0.0011408400000000, -0.0013363900000000, -0.0013171900000000 ] - [ -0.0021662100000000, -0.0054305000000000, -0.0054832900000000 ] - [ 0.0005084600000000, -0.0008664200000000, -0.0002408200000000 ] - [ 0.0056295600000000, 0.0021337600000000, -0.0010664100000000 ] - [ 0.0140884800000000, -0.0107020600000000, 0.0225923300000000 ] - [ 0.0181945500000000, 0.0043599400000000, -0.0086602000000000 ] - [ -0.0085990000000000, 0.0015163500000000, -0.0015490300000000 ] - [ -0.0127478400000000, -0.0078608000000000, -0.0040188100000000 ] - [ 0.0842229500000000, -0.0686928700000000, 0.0371278000000000 ] - [ 0.0052527400000000, 0.0071062800000000, -0.0058317500000000 ] - [ -0.0006733500000000, 0.0023448900000000, 0.0005795100000000 ] - [ -0.0025822400000000, -0.0037819200000000, 0.0011308300000000 ] - [ -0.0008827200000000, 0.0030639800000000, 0.0026864900000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0878848500000000, 0.0461638600000000, 0.0364969800000000 ] - [ -0.0019022600000000, -0.0002118700000000, -0.0009088700000000 ] - [ 0.0102758600000000, 0.0018954000000000, -0.0049739900000000 ] - [ -0.0031147200000000, -0.0006020800000000, 0.0000385800000000 ] - [ 0.0028450700000000, 0.0003272000000000, 0.0005451200000000 ] - [ 0.0083163000000000, -0.0029928900000000, 0.0031318900000000 ] - [ 0.0004939500000000, -0.0008068300000000, -0.0011459100000000 ] - [ -0.0012632800000000, -0.0001772200000000, -0.0004780900000000 ] - [ 0.0030739600000000, 0.0004755200000000, 0.0010539700000000 ] - [ -0.0015773500000000, -0.0030738200000000, -0.0001394100000000 ] - [ -0.0070038100000000, 0.0010623700000000, 0.0009619900000000 ] - [ 0.0013876700000000, 0.0000534900000000, 0.0000589800000000 ] - [ 0.0005279800000000, 0.0000268500000000, -0.0021074600000000 ] - [ -0.0010723200000000, -0.0005785800000000, -0.0002350400000000 ] - [ -0.0008256900000000, 0.0025294100000000, 0.0025865200000000 ] - [ 0.0010838500000000, 0.0002077300000000, 0.0006100300000000 ] - [ 0.2103100600000000, -0.1600232500000000, 0.0062569400000000 ] - [ -0.0017857100000000, -0.0019700400000000, 0.0000567200000000 ] - [ -0.0070230000000000, -0.0017740300000000, -0.0023367100000000 ] - [ -0.0120247400000000, 0.0211333100000000, 0.0035882100000000 ] - [ -0.0059906800000000, 0.0128814500000000, -0.0042603700000000 ] - [ 0.0021914300000000, 0.0023437400000000, 0.0001866200000000 ] - [ 0.0031133300000000, 0.0007829200000000, -0.0022030100000000 ] - [ -0.0008748200000000, 0.0013430800000000, -0.0022383500000000 ] - [ -0.0023079100000000, -0.0025538400000000, 0.0041718200000000 ] - [ -0.0027809000000000, 0.0015748300000000, 0.0011326200000000 ] - [ -0.0023602300000000, -0.0013353200000000, -0.0007906000000000 ] - [ 0.0009794600000000, 0.0013351100000000, 0.0002152400000000 ] - [ 0.0007870800000000, -0.0011891300000000, 0.0006448100000000 ] - [ -0.0014950600000000, 0.0009701500000000, 0.0007544000000000 ] - [ -0.0033737300000000, -0.0012949900000000, -0.0007545000000000 ] - [ -0.0001428200000000, 0.0025271800000000, -0.0019601500000000 ] - [ -0.0014302900000000, 0.0009430800000000, 0.0007992600000000 ] - [ 0.0016789300000000, 0.0005268500000000, 0.0009473900000000 ] - [ 0.0013054300000000, 0.0049241400000000, 0.0058816100000000 ] - [ 0.0002853100000000, 0.0013904000000000, 0.0006219900000000 ] - [ -0.0062503600000000, -0.0007010400000000, 0.0016731900000000 ] - [ -0.0134823000000000, 0.0093657300000000, -0.0222268400000000 ] - [ -0.0177677000000000, -0.0043195800000000, 0.0072533500000000 ] - [ 0.0083615300000000, -0.0016867600000000, 0.0003664900000000 ] - [ 0.0125938800000000, 0.0083244200000000, 0.0040513000000000 ] - [ -0.0847998400000000, 0.0708765500000000, -0.0386249800000000 ] - [ -0.0052201400000000, -0.0070736400000000, 0.0058090700000000 ] - [ 0.0011952100000000, -0.0022229500000000, -0.0006289100000000 ] - [ 0.0020551100000000, 0.0036663600000000, -0.0011793000000000 ] - [ 0.0008930900000000, -0.0030633000000000, -0.0027025800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0452013300000000, 0.0513874600000000, 0.0224523100000000 ] - [ -0.0080395000000000, -0.0111332800000000, -0.0040958100000000 ] - [ 0.0067563300000000, 0.0063047900000000, -0.0065436300000000 ] - [ -0.0033742800000000, -0.0027148400000000, 0.0015016300000000 ] - [ 0.0022713400000000, -0.0004002400000000, 0.0007965700000000 ] - [ 0.0032076300000000, -0.0003239700000000, 0.0028335600000000 ] - [ 0.0005806900000000, -0.0008979500000000, 0.0010295300000000 ] - [ 0.0004060600000000, 0.0017171600000000, -0.0001673100000000 ] - [ 0.0018976400000000, 0.0015461600000000, 0.0006791300000000 ] - [ -0.0005117200000000, -0.0044868400000000, -0.0006487200000000 ] - [ -0.0015606300000000, 0.0066220000000000, -0.0004364300000000 ] - [ 0.0005404000000000, -0.0009040100000000, -0.0009137800000000 ] - [ 0.0000601600000000, 0.0012318300000000, -0.0008704200000000 ] - [ 0.0001580400000000, -0.0008177900000000, 0.0016415600000000 ] - [ -0.0031769900000000, -0.0002196900000000, -0.0023798700000000 ] - [ 0.0003171300000000, -0.0006464300000000, 0.0006139300000000 ] - [ 0.1616660100000000, -0.2423948000000000, 0.0540041300000000 ] - [ 0.0020453000000000, 0.0005456500000000, 0.0007328400000000 ] - [ -0.0031160800000000, -0.0030220800000000, 0.0001479900000000 ] - [ -0.0201851500000000, 0.0140386800000000, 0.0046827100000000 ] - [ -0.0102016300000000, 0.0102020300000000, -0.0035751600000000 ] - [ 0.0015878700000000, 0.0064861100000000, 0.0026675500000000 ] - [ 0.0007866000000000, 0.0042914500000000, -0.0043865800000000 ] - [ -0.0010830100000000, 0.0025253900000000, -0.0016172200000000 ] - [ 0.0010708600000000, -0.0039551200000000, 0.0008644800000000 ] - [ -0.0019375600000000, 0.0016574700000000, 0.0019646400000000 ] - [ -0.0012167900000000, -0.0009186800000000, -0.0009282700000000 ] - [ 0.0012153900000000, 0.0023040800000000, 0.0000768100000000 ] - [ 0.0011515000000000, -0.0006546400000000, 0.0005456800000000 ] - [ -0.0011318400000000, 0.0014368700000000, 0.0006916700000000 ] - [ -0.0013394800000000, -0.0017648500000000, -0.0015936100000000 ] - [ 0.0000376000000000, 0.0013661900000000, -0.0014304700000000 ] - [ -0.0025259600000000, 0.0014969900000000, 0.0012838800000000 ] - [ 0.0012459500000000, 0.0027236200000000, 0.0002521900000000 ] - [ -0.0067466700000000, 0.0107212300000000, 0.0143155100000000 ] - [ 0.0010989400000000, 0.0058563400000000, -0.0009377000000000 ] - [ -0.0019450300000000, 0.0002663700000000, -0.0000979100000000 ] - [ -0.0053762800000000, -0.0053173300000000, -0.0063455900000000 ] - [ -0.0017897600000000, -0.0061221300000000, -0.0000482600000000 ] - [ 0.0023526800000000, 0.0223650700000000, -0.0148064400000000 ] - [ 0.0015568400000000, 0.0039319000000000, 0.0013587500000000 ] - [ -0.0734101900000000, 0.1465833500000000, -0.0640802900000000 ] - [ -0.0016231400000000, -0.0114138200000000, 0.0037380300000000 ] - [ 0.0004945400000000, -0.0029664800000000, -0.0006574200000000 ] - [ -0.0003824400000000, 0.0025132000000000, 0.0006303200000000 ] - [ 0.0033699500000000, -0.0090464300000000, -0.0029444900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0463955800000000, -0.0517996300000000, -0.0235215900000000 ] - [ 0.0087647000000000, 0.0109194200000000, 0.0040246100000000 ] - [ -0.0067393600000000, -0.0062633700000000, 0.0065225500000000 ] - [ 0.0031859200000000, 0.0019287900000000, -0.0014501300000000 ] - [ -0.0020783100000000, 0.0011755000000000, -0.0007439500000000 ] - [ -0.0032269400000000, 0.0003432800000000, -0.0028554600000000 ] - [ -0.0005851500000000, 0.0008853000000000, -0.0003596400000000 ] - [ -0.0004105800000000, -0.0017144600000000, -0.0005173000000000 ] - [ -0.0021792000000000, -0.0011553400000000, 0.0001972800000000 ] - [ 0.0007962200000000, 0.0040828300000000, 0.0015171800000000 ] - [ 0.0011677100000000, -0.0068900900000000, -0.0004428200000000 ] - [ -0.0001378600000000, 0.0011879900000000, 0.0000372900000000 ] - [ -0.0008620600000000, -0.0012507200000000, -0.0003599200000000 ] - [ 0.0006432900000000, 0.0008384900000000, -0.0028580600000000 ] - [ 0.0031955500000000, -0.0006035700000000, 0.0036082300000000 ] - [ -0.0003301800000000, 0.0014517000000000, 0.0006079500000000 ] - [ -0.1586593400000000, 0.2369717100000000, -0.0477998000000000 ] - [ -0.0020354000000000, -0.0004507500000000, -0.0000205700000000 ] - [ 0.0017898100000000, 0.0018813100000000, 0.0001751800000000 ] - [ 0.0211745900000000, -0.0127339600000000, -0.0042938400000000 ] - [ 0.0107352200000000, -0.0101786700000000, 0.0039868700000000 ] - [ -0.0019825600000000, -0.0065463900000000, -0.0022633600000000 ] - [ -0.0008514300000000, -0.0038930600000000, 0.0040277100000000 ] - [ 0.0011508200000000, -0.0029293200000000, 0.0012295900000000 ] - [ 0.0000688800000000, 0.0026461900000000, -0.0012105900000000 ] - [ 0.0007959600000000, -0.0003562500000000, -0.0022924800000000 ] - [ 0.0011025800000000, 0.0009210000000000, 0.0002161600000000 ] - [ -0.0011035200000000, -0.0022999400000000, -0.0007809000000000 ] - [ -0.0011780800000000, 0.0009008700000000, 0.0007032400000000 ] - [ 0.0011543000000000, -0.0016758800000000, 0.0005586300000000 ] - [ -0.0000838100000000, 0.0011393900000000, 0.0009951700000000 ] - [ 0.0013859700000000, -0.0007507500000000, 0.0008352100000000 ] - [ 0.0020066900000000, -0.0006789700000000, -0.0016728800000000 ] - [ -0.0007154200000000, -0.0035349300000000, -0.0006388300000000 ] - [ 0.0059775600000000, -0.0112624600000000, -0.0140386400000000 ] - [ -0.0002691600000000, -0.0053171300000000, 0.0013164700000000 ] - [ 0.0013102400000000, 0.0011301700000000, 0.0007074200000000 ] - [ 0.0060902100000000, 0.0037788800000000, 0.0070368100000000 ] - [ 0.0019234200000000, 0.0061338400000000, -0.0011625700000000 ] - [ -0.0025786800000000, -0.0220725100000000, 0.0132522100000000 ] - [ -0.0016421000000000, -0.0033457700000000, -0.0012726100000000 ] - [ 0.0687175900000000, -0.1415140400000000, 0.0598990000000000 ] - [ 0.0015993900000000, 0.0114270100000000, -0.0037632800000000 ] - [ 0.0000309500000000, 0.0030973800000000, 0.0005987000000000 ] - [ -0.0001398000000000, -0.0026585300000000, -0.0006792900000000 ] - [ -0.0033741700000000, 0.0090354400000000, 0.0029450500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0381014200000000, 0.0239365800000000, 0.0429930200000000 ] - [ 0.0039673100000000, 0.0026714700000000, 0.0051604300000000 ] - [ 0.0045190900000000, -0.0014068000000000, 0.0005705500000000 ] - [ 0.0008439700000000, 0.0012977300000000, -0.0036232400000000 ] - [ 0.0000827700000000, 0.0002921300000000, -0.0019134900000000 ] - [ -0.0049591100000000, 0.0021673100000000, -0.0056317300000000 ] - [ 0.0019334700000000, 0.0018971300000000, 0.0046063800000000 ] - [ 0.0000467100000000, 0.0000619600000000, -0.0011782600000000 ] - [ -0.0006379800000000, 0.0000390200000000, 0.0010062200000000 ] - [ -0.0000005000000000, -0.0006332100000000, 0.0010245600000000 ] - [ -0.0014837200000000, -0.0016440300000000, 0.0116301700000000 ] - [ -0.0003840400000000, -0.0002944400000000, 0.0003035400000000 ] - [ -0.0003684000000000, 0.0004721300000000, -0.0024554100000000 ] - [ 0.0010836200000000, 0.0001630800000000, -0.0030195300000000 ] - [ -0.0020816800000000, -0.0031218900000000, -0.0004128700000000 ] - [ 0.0001944100000000, 0.0006913700000000, 0.0006494900000000 ] - [ -0.0033652700000000, 0.0503296400000000, -0.1466436800000000 ] - [ -0.0003025600000000, -0.0003203400000000, -0.0021415900000000 ] - [ -0.0022101000000000, -0.0005023100000000, -0.0025550800000000 ] - [ -0.0066613900000000, 0.0088370600000000, -0.0057889500000000 ] - [ 0.0045475400000000, -0.0046908600000000, -0.0024998700000000 ] - [ -0.0004750200000000, -0.0022038300000000, -0.0025081600000000 ] - [ 0.0007167100000000, -0.0046214500000000, 0.0024074300000000 ] - [ 0.0008201800000000, -0.0007632800000000, 0.0004081100000000 ] - [ -0.0043289600000000, -0.0009761000000000, 0.0037839200000000 ] - [ -0.0006502200000000, 0.0012713000000000, 0.0006444300000000 ] - [ -0.0004888500000000, -0.0005737500000000, 0.0006552600000000 ] - [ -0.0005161100000000, -0.0004355300000000, 0.0006563900000000 ] - [ -0.0001564100000000, -0.0001788900000000, 0.0027080300000000 ] - [ 0.0001279200000000, -0.0002900200000000, 0.0014515000000000 ] - [ -0.0002175100000000, 0.0007748100000000, 0.0034235800000000 ] - [ 0.0013308500000000, -0.0013452900000000, 0.0026935300000000 ] - [ -0.0017134800000000, 0.0006047600000000, 0.0023298300000000 ] - [ 0.0010312500000000, 0.0001407500000000, 0.0028495200000000 ] - [ -0.0054862200000000, 0.0105948500000000, 0.0067762500000000 ] - [ -0.0011469800000000, 0.0006376100000000, 0.0002859600000000 ] - [ 0.0009894700000000, -0.0008284400000000, -0.0002214000000000 ] - [ 0.0209995400000000, -0.0107310300000000, 0.0137929800000000 ] - [ -0.0083859300000000, -0.0012505500000000, -0.0022444100000000 ] - [ -0.0011955600000000, -0.0151713900000000, -0.0014577000000000 ] - [ 0.0017032500000000, 0.0027244100000000, 0.0053673700000000 ] - [ 0.0380344800000000, -0.0612040700000000, 0.0776281000000000 ] - [ -0.0014055500000000, 0.0050231600000000, 0.0009903900000000 ] - [ -0.0001781600000000, 0.0005265400000000, -0.0025441200000000 ] - [ 0.0019262500000000, 0.0013191800000000, -0.0050487700000000 ] - [ 0.0020023400000000, -0.0032865000000000, -0.0049086800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0381362000000000, -0.0243410500000000, -0.0428040000000000 ] - [ -0.0031680900000000, -0.0028429300000000, -0.0052116100000000 ] - [ -0.0045374000000000, 0.0013693200000000, -0.0005299100000000 ] - [ -0.0010391800000000, -0.0020696700000000, 0.0036798200000000 ] - [ 0.0001157200000000, 0.0004914800000000, 0.0019727700000000 ] - [ 0.0049513100000000, -0.0021712500000000, 0.0056254600000000 ] - [ -0.0019174400000000, -0.0018816800000000, -0.0038984600000000 ] - [ -0.0000436500000000, -0.0000625100000000, 0.0004959500000000 ] - [ 0.0003607500000000, 0.0003628300000000, -0.0001248500000000 ] - [ 0.0002866200000000, 0.0002480800000000, -0.0001420100000000 ] - [ 0.0008833300000000, 0.0010943700000000, -0.0112613600000000 ] - [ 0.0007818500000000, 0.0005689700000000, -0.0011735100000000 ] - [ -0.0004358900000000, -0.0004835700000000, 0.0012177600000000 ] - [ -0.0002833500000000, -0.0001551800000000, 0.0017779800000000 ] - [ 0.0020999200000000, 0.0023279000000000, 0.0016318700000000 ] - [ -0.0002067700000000, 0.0001094000000000, 0.0005785600000000 ] - [ 0.0041516000000000, -0.0514277200000000, 0.1459177300000000 ] - [ 0.0002912500000000, 0.0004323700000000, 0.0028567300000000 ] - [ 0.0009036700000000, -0.0006218100000000, 0.0028863200000000 ] - [ 0.0080149300000000, -0.0077391700000000, 0.0060959900000000 ] - [ -0.0041217200000000, 0.0047459900000000, 0.0028836300000000 ] - [ 0.0000699500000000, 0.0021375300000000, 0.0028991900000000 ] - [ -0.0007693000000000, 0.0050029300000000, -0.0027990300000000 ] - [ -0.0007594700000000, 0.0003641000000000, -0.0008122600000000 ] - [ 0.0054308800000000, -0.0003245100000000, -0.0041116800000000 ] - [ -0.0004807200000000, 0.0000362700000000, -0.0009939000000000 ] - [ 0.0003685500000000, 0.0005634600000000, -0.0013756100000000 ] - [ 0.0006271700000000, 0.0004367200000000, -0.0013744100000000 ] - [ 0.0001285800000000, 0.0004148900000000, -0.0014648200000000 ] - [ -0.0001025300000000, 0.0000476000000000, -0.0002093900000000 ] - [ -0.0012055500000000, -0.0014095400000000, -0.0040352800000000 ] - [ 0.0000853700000000, 0.0019835100000000, -0.0033094500000000 ] - [ 0.0011816300000000, 0.0002025800000000, -0.0027116900000000 ] - [ -0.0004951800000000, -0.0009521800000000, -0.0032304400000000 ] - [ 0.0047193100000000, -0.0112308300000000, -0.0064316400000000 ] - [ 0.0019587800000000, -0.0001162500000000, 0.0001024200000000 ] - [ -0.0016385900000000, 0.0022437100000000, 0.0008475000000000 ] - [ -0.0206453200000000, 0.0094184700000000, -0.0133085300000000 ] - [ 0.0086416500000000, 0.0012781100000000, 0.0010330200000000 ] - [ 0.0009635100000000, 0.0152309600000000, 0.0002624300000000 ] - [ -0.0018074700000000, -0.0021898100000000, -0.0053259600000000 ] - [ -0.0391381400000000, 0.0624758500000000, -0.0775800400000000 ] - [ 0.0013859000000000, -0.0050202100000000, -0.0009664200000000 ] - [ 0.0007061700000000, -0.0003992900000000, 0.0025106700000000 ] - [ -0.0024416400000000, -0.0014376400000000, 0.0050035900000000 ] - [ -0.0020072000000000, 0.0032893700000000, 0.0049068500000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0110873800000000, -0.0057930200000000, 0.0030926300000000 ] - [ -0.0078127100000000, 0.0025133400000000, -0.0029214500000000 ] - [ 0.0856378900000000, 0.0400911700000000, 0.0529270200000000 ] - [ -0.0027831900000000, 0.0001678200000000, -0.0001775300000000 ] - [ 0.0028606500000000, 0.0005571100000000, -0.0000975000000000 ] - [ 0.0035278700000000, -0.0017451800000000, -0.0000274100000000 ] - [ 0.0014182300000000, -0.0000814200000000, -0.0002395200000000 ] - [ -0.0006451600000000, -0.0008498300000000, -0.0008360000000000 ] - [ 0.0067414200000000, 0.0012243600000000, 0.0015779600000000 ] - [ -0.0010468100000000, -0.0024707000000000, 0.0001933300000000 ] - [ -0.0033427100000000, 0.0004665400000000, -0.0002197100000000 ] - [ 0.0016606800000000, 0.0018417500000000, 0.0026983300000000 ] - [ 0.0006452400000000, -0.0003178400000000, -0.0027401300000000 ] - [ -0.0007352100000000, -0.0000200300000000, -0.0007469800000000 ] - [ -0.0010002100000000, 0.0003098600000000, 0.0009069200000000 ] - [ 0.0013233000000000, 0.0008287500000000, 0.0000449000000000 ] - [ 0.0063804400000000, -0.0025126100000000, -0.0012051700000000 ] - [ 0.0126348300000000, -0.0205106100000000, 0.0076671400000000 ] - [ -0.2236152800000000, 0.0107368800000000, -0.1701634400000000 ] - [ 0.0172007600000000, 0.0088866900000000, -0.0023868600000000 ] - [ 0.0026297800000000, 0.0038001200000000, -0.0017896600000000 ] - [ 0.0026352200000000, -0.0002087700000000, -0.0007050600000000 ] - [ 0.0020737200000000, -0.0002095200000000, -0.0013808600000000 ] - [ -0.0007037800000000, -0.0003401900000000, -0.0015051300000000 ] - [ 0.0069041200000000, -0.0055449000000000, 0.0139099200000000 ] - [ -0.0030876300000000, 0.0055088900000000, 0.0040449500000000 ] - [ -0.0033630500000000, -0.0018996900000000, -0.0000347900000000 ] - [ 0.0010553300000000, 0.0009185500000000, 0.0002661700000000 ] - [ 0.0007100200000000, -0.0021077700000000, 0.0021058000000000 ] - [ -0.0012334600000000, 0.0009036000000000, 0.0015288000000000 ] - [ -0.0030851900000000, -0.0001670100000000, 0.0020988400000000 ] - [ 0.0005847500000000, 0.0008880100000000, 0.0006868100000000 ] - [ -0.0011177300000000, 0.0007713700000000, 0.0010138500000000 ] - [ 0.0017915800000000, -0.0002632600000000, 0.0009789400000000 ] - [ 0.0017935500000000, 0.0015022300000000, 0.0011384300000000 ] - [ 0.0013015600000000, -0.0011090400000000, 0.0023116200000000 ] - [ -0.0089403100000000, 0.0005353800000000, 0.0006636500000000 ] - [ 0.0025843300000000, -0.0003245900000000, -0.0027703200000000 ] - [ 0.0178590400000000, 0.0031355800000000, 0.0199956200000000 ] - [ 0.0057508500000000, 0.0011128600000000, -0.0020720600000000 ] - [ 0.0970704800000000, -0.0454911700000000, 0.0733510500000000 ] - [ -0.0129866800000000, 0.0031841600000000, 0.0077900100000000 ] - [ -0.0021998900000000, -0.0009731900000000, 0.0032488800000000 ] - [ -0.0006500000000000, -0.0023728900000000, -0.0027803800000000 ] - [ 0.0055007100000000, 0.0061066300000000, -0.0070233300000000 ] - [ -0.0008399600000000, -0.0006784000000000, -0.0024182700000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0103102100000000, 0.0060162300000000, -0.0031419300000000 ] - [ 0.0085797100000000, -0.0027076000000000, 0.0028678000000000 ] - [ -0.0827245200000000, -0.0377398600000000, -0.0497523100000000 ] - [ 0.0025869800000000, -0.0009432800000000, 0.0002335000000000 ] - [ -0.0026737300000000, 0.0002264900000000, 0.0001515600000000 ] - [ -0.0034551400000000, 0.0017084000000000, -0.0000023400000000 ] - [ -0.0014141500000000, 0.0000842200000000, 0.0009296600000000 ] - [ 0.0006360500000000, 0.0008554000000000, 0.0001468100000000 ] - [ -0.0069896400000000, -0.0008172100000000, -0.0006976500000000 ] - [ 0.0013313600000000, 0.0020606400000000, 0.0006771500000000 ] - [ 0.0029373700000000, -0.0007443300000000, -0.0006609300000000 ] - [ -0.0012754200000000, -0.0015582500000000, -0.0035740700000000 ] - [ -0.0014550700000000, 0.0003002200000000, 0.0015203200000000 ] - [ 0.0015376300000000, 0.0000298900000000, -0.0004761400000000 ] - [ 0.0010184500000000, -0.0011077400000000, 0.0003156000000000 ] - [ -0.0013386000000000, -0.0000138300000000, 0.0011775900000000 ] - [ -0.0063665900000000, 0.0023929300000000, 0.0019099700000000 ] - [ -0.0126661400000000, 0.0208487300000000, -0.0070113400000000 ] - [ 0.2207681800000000, -0.0166763800000000, 0.1708602700000000 ] - [ -0.0157270200000000, -0.0076119500000000, 0.0027178700000000 ] - [ -0.0022245100000000, -0.0037584600000000, 0.0021892000000000 ] - [ -0.0030396700000000, 0.0001539700000000, 0.0011026100000000 ] - [ -0.0021331600000000, 0.0006132200000000, 0.0009905300000000 ] - [ 0.0007667600000000, -0.0000618200000000, 0.0011149300000000 ] - [ -0.0057113200000000, 0.0042001500000000, -0.0140965400000000 ] - [ 0.0018925100000000, -0.0042341300000000, -0.0044178900000000 ] - [ 0.0032381400000000, 0.0018968000000000, -0.0006857500000000 ] - [ -0.0009574300000000, -0.0009203500000000, -0.0009702800000000 ] - [ -0.0007396500000000, 0.0023401900000000, -0.0008521300000000 ] - [ 0.0012597600000000, -0.0011544000000000, -0.0002807600000000 ] - [ 0.0016522800000000, -0.0004563100000000, -0.0026901600000000 ] - [ 0.0008120500000000, -0.0002513500000000, -0.0012940100000000 ] - [ 0.0005873800000000, 0.0000327800000000, -0.0013935000000000 ] - [ -0.0012546500000000, -0.0005412700000000, -0.0013568700000000 ] - [ -0.0025995900000000, -0.0020497600000000, -0.0007669800000000 ] - [ -0.0004890700000000, 0.0016457500000000, -0.0019417100000000 ] - [ 0.0083219500000000, 0.0008014400000000, 0.0000977000000000 ] - [ -0.0019608900000000, -0.0010858300000000, 0.0033464700000000 ] - [ -0.0177746900000000, -0.0031483400000000, -0.0215810200000000 ] - [ -0.0059767500000000, -0.0011285100000000, 0.0008039600000000 ] - [ -0.0985979900000000, 0.0482453200000000, -0.0766823700000000 ] - [ 0.0130734500000000, -0.0037035700000000, -0.0076830700000000 ] - [ 0.0021966300000000, 0.0009740700000000, -0.0032573300000000 ] - [ 0.0011956600000000, 0.0025144400000000, 0.0027385800000000 ] - [ -0.0059905200000000, -0.0062116100000000, 0.0069515300000000 ] - [ 0.0008334100000000, 0.0006848500000000, 0.0024235000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0046429500000000, 0.0000702800000000, -0.0012624900000000 ] - [ 0.0056567900000000, -0.0047895300000000, 0.0026983100000000 ] - [ 0.0393884800000000, 0.0455256200000000, 0.0296786100000000 ] - [ -0.0000221000000000, -0.0023286400000000, -0.0000519300000000 ] - [ -0.0007965800000000, -0.0034512000000000, 0.0016508200000000 ] - [ -0.0040057900000000, 0.0052519900000000, 0.0022921900000000 ] - [ -0.0003044900000000, -0.0009146500000000, 0.0005744100000000 ] - [ -0.0014633700000000, 0.0040734900000000, 0.0003838200000000 ] - [ 0.0003452600000000, 0.0058542800000000, 0.0001343500000000 ] - [ 0.0003605800000000, -0.0018897600000000, 0.0008615500000000 ] - [ 0.0004724900000000, 0.0003961400000000, -0.0005019300000000 ] - [ 0.0021051300000000, -0.0016543100000000, -0.0033337500000000 ] - [ -0.0003424700000000, 0.0008721200000000, -0.0007058000000000 ] - [ 0.0002749000000000, 0.0000483800000000, -0.0004105200000000 ] - [ 0.0008056400000000, -0.0003843300000000, -0.0001000200000000 ] - [ -0.0005920100000000, -0.0018213400000000, 0.0007165700000000 ] - [ 0.0012201000000000, -0.0025065700000000, 0.0004180400000000 ] - [ -0.0205783400000000, 0.0135194100000000, -0.0079640100000000 ] - [ 0.0136093800000000, -0.1479635700000000, 0.0449932000000000 ] - [ 0.0089157100000000, -0.0005754000000000, -0.0005799200000000 ] - [ 0.0044920300000000, 0.0036268000000000, -0.0002469600000000 ] - [ -0.0008735300000000, 0.0033708200000000, 0.0011402600000000 ] - [ 0.0003299900000000, 0.0012471500000000, -0.0007018700000000 ] - [ 0.0000206600000000, 0.0020538900000000, -0.0002754300000000 ] - [ -0.0042034300000000, -0.0031353100000000, -0.0058411100000000 ] - [ 0.0042227600000000, 0.0069792300000000, 0.0106673600000000 ] - [ -0.0005553400000000, 0.0028638500000000, -0.0052306100000000 ] - [ 0.0014257400000000, 0.0022166800000000, -0.0002743400000000 ] - [ -0.0008340900000000, 0.0010319000000000, -0.0000986100000000 ] - [ -0.0006365800000000, 0.0029134700000000, 0.0011148400000000 ] - [ -0.0003245100000000, -0.0029866000000000, -0.0024784700000000 ] - [ 0.0022811300000000, 0.0002639000000000, 0.0001222200000000 ] - [ 0.0002652700000000, 0.0014474500000000, -0.0007294900000000 ] - [ 0.0001344000000000, 0.0004230000000000, -0.0003771800000000 ] - [ -0.0002511800000000, 0.0007280500000000, 0.0008411900000000 ] - [ -0.0003559800000000, 0.0030653600000000, -0.0015594000000000 ] - [ -0.0004718300000000, -0.0001353300000000, -0.0146111600000000 ] - [ 0.0002371700000000, -0.0033874000000000, 0.0003915400000000 ] - [ 0.0083244900000000, -0.0065135200000000, 0.0070448900000000 ] - [ -0.0013141600000000, -0.0009619200000000, -0.0021758300000000 ] - [ -0.0484327600000000, 0.0836538700000000, -0.0629544800000000 ] - [ -0.0012319300000000, 0.0054435100000000, 0.0025716400000000 ] - [ -0.0018927800000000, -0.0048902900000000, 0.0011882000000000 ] - [ -0.0024148700000000, -0.0045129000000000, -0.0028719000000000 ] - [ 0.0012021500000000, 0.0003413400000000, 0.0053352200000000 ] - [ 0.0004508500000000, -0.0024793800000000, 0.0005179800000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0038415300000000, 0.0000817300000000, 0.0012442200000000 ] - [ -0.0048781200000000, 0.0045970500000000, -0.0027428300000000 ] - [ -0.0384779200000000, -0.0457333400000000, -0.0289417700000000 ] - [ -0.0001784600000000, 0.0015455500000000, 0.0001043000000000 ] - [ 0.0010002200000000, 0.0042341300000000, -0.0016060500000000 ] - [ 0.0040188100000000, -0.0052554200000000, -0.0023167800000000 ] - [ 0.0003073000000000, 0.0009121900000000, 0.0001113700000000 ] - [ 0.0014741900000000, -0.0040912800000000, -0.0010750300000000 ] - [ -0.0008301400000000, -0.0064404900000000, 0.0009879900000000 ] - [ -0.0000855200000000, 0.0014971100000000, 0.0000114800000000 ] - [ -0.0008700900000000, -0.0006833700000000, -0.0003745500000000 ] - [ -0.0016945500000000, 0.0019398600000000, 0.0024476800000000 ] - [ -0.0004544300000000, -0.0008883200000000, -0.0005358600000000 ] - [ 0.0005226000000000, -0.0000333600000000, -0.0008281900000000 ] - [ -0.0007990300000000, -0.0004211800000000, 0.0013333500000000 ] - [ 0.0005832300000000, 0.0026287400000000, 0.0005201600000000 ] - [ -0.0012071200000000, 0.0023930300000000, 0.0002905900000000 ] - [ 0.0202880800000000, -0.0132557200000000, 0.0086045700000000 ] - [ -0.0138170200000000, 0.1477696100000000, -0.0436417300000000 ] - [ -0.0075838500000000, 0.0016686400000000, 0.0009113700000000 ] - [ -0.0041115200000000, -0.0035682000000000, 0.0006369100000000 ] - [ 0.0004642300000000, -0.0034300500000000, -0.0007425100000000 ] - [ -0.0003946800000000, -0.0008379000000000, 0.0003113300000000 ] - [ 0.0000348000000000, -0.0024556500000000, -0.0001172700000000 ] - [ 0.0053452300000000, 0.0018435500000000, 0.0055123700000000 ] - [ -0.0053303400000000, -0.0056395900000000, -0.0109028400000000 ] - [ 0.0004448200000000, -0.0028728500000000, 0.0045382600000000 ] - [ -0.0013074000000000, -0.0022113400000000, -0.0004358500000000 ] - [ 0.0008135600000000, -0.0007866100000000, 0.0013426200000000 ] - [ 0.0006598400000000, -0.0031541300000000, 0.0001353200000000 ] - [ -0.0010977800000000, 0.0023583300000000, 0.0018726200000000 ] - [ -0.0008574700000000, 0.0003647400000000, -0.0007205000000000 ] - [ -0.0008019500000000, -0.0006327600000000, 0.0003536700000000 ] - [ 0.0004013700000000, -0.0012298700000000, -0.0000011200000000 ] - [ -0.0005529000000000, -0.0012480000000000, -0.0004592800000000 ] - [ 0.0011657500000000, -0.0025294200000000, 0.0019349600000000 ] - [ -0.0001668500000000, 0.0014986900000000, 0.0151387200000000 ] - [ 0.0003882500000000, 0.0019682700000000, 0.0002267400000000 ] - [ -0.0080290300000000, 0.0065623400000000, -0.0082553500000000 ] - [ 0.0010659300000000, 0.0009314400000000, 0.0009178900000000 ] - [ 0.0466941300000000, -0.0829424800000000, 0.0610101500000000 ] - [ 0.0013703800000000, -0.0059644900000000, -0.0025246600000000 ] - [ 0.0019018000000000, 0.0048912400000000, -0.0011941200000000 ] - [ 0.0029343900000000, 0.0046390300000000, 0.0028226000000000 ] - [ -0.0017465300000000, -0.0004907800000000, -0.0053835500000000 ] - [ -0.0004477400000000, 0.0024713100000000, -0.0005213700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0065770000000000, -0.0067713200000000, 0.0059109600000000 ] - [ -0.0023295100000000, 0.0024268100000000, 0.0001025200000000 ] - [ 0.0514071600000000, 0.0290286500000000, 0.0594864600000000 ] - [ -0.0021163700000000, 0.0003694800000000, -0.0007618900000000 ] - [ 0.0031959200000000, 0.0019513400000000, -0.0019489600000000 ] - [ 0.0087124900000000, -0.0036110300000000, -0.0111183500000000 ] - [ -0.0006810100000000, 0.0003529700000000, 0.0014563100000000 ] - [ -0.0003345900000000, 0.0000397600000000, -0.0015258100000000 ] - [ 0.0011598400000000, 0.0007727800000000, 0.0070407200000000 ] - [ -0.0004132200000000, -0.0005747000000000, 0.0013752100000000 ] - [ -0.0022557900000000, 0.0002086200000000, 0.0009330100000000 ] - [ 0.0030915900000000, -0.0024840100000000, 0.0007753900000000 ] - [ -0.0002164700000000, -0.0008437200000000, -0.0042517600000000 ] - [ 0.0000564700000000, 0.0001234200000000, -0.0017532500000000 ] - [ 0.0000151800000000, -0.0010610300000000, -0.0001293600000000 ] - [ 0.0003612600000000, 0.0027314500000000, -0.0000242400000000 ] - [ 0.0025039900000000, -0.0000675900000000, -0.0023609600000000 ] - [ 0.0034526500000000, -0.0044798400000000, -0.0055373600000000 ] - [ -0.1699655300000000, 0.0410895400000000, -0.2311842900000000 ] - [ 0.0031638200000000, 0.0012939100000000, -0.0056357500000000 ] - [ -0.0002427600000000, 0.0012211100000000, -0.0027806000000000 ] - [ 0.0003927200000000, -0.0010144700000000, -0.0011169500000000 ] - [ 0.0010114500000000, -0.0003120500000000, -0.0009918900000000 ] - [ -0.0011028600000000, -0.0002233100000000, -0.0010531600000000 ] - [ 0.0114189800000000, -0.0048970300000000, 0.0110729500000000 ] - [ 0.0051269200000000, 0.0147160400000000, 0.0110565100000000 ] - [ -0.0010993100000000, -0.0043462100000000, 0.0035994500000000 ] - [ 0.0021931600000000, 0.0013040600000000, 0.0004638300000000 ] - [ 0.0009818900000000, -0.0014997700000000, 0.0031484100000000 ] - [ -0.0007952200000000, 0.0004146000000000, 0.0037591800000000 ] - [ -0.0024284300000000, 0.0022878200000000, 0.0063044700000000 ] - [ 0.0001535900000000, -0.0007641700000000, 0.0050607300000000 ] - [ -0.0014540900000000, 0.0006107800000000, 0.0019141800000000 ] - [ 0.0013680200000000, -0.0003427900000000, 0.0013563100000000 ] - [ 0.0008100700000000, 0.0020490700000000, 0.0012321000000000 ] - [ 0.0010768700000000, -0.0007729000000000, 0.0010492300000000 ] - [ -0.0008140000000000, -0.0136935700000000, 0.0224062700000000 ] - [ -0.0026762400000000, -0.0007351900000000, 0.0007578700000000 ] - [ 0.0223568300000000, 0.0038710300000000, 0.0097879100000000 ] - [ 0.0013958100000000, -0.0008443300000000, -0.0014826900000000 ] - [ 0.0735972200000000, -0.0600319200000000, 0.1291689500000000 ] - [ -0.0012916900000000, 0.0016100500000000, 0.0049823200000000 ] - [ 0.0000819400000000, 0.0003996300000000, 0.0023942000000000 ] - [ -0.0038502200000000, -0.0028118900000000, -0.0083481900000000 ] - [ 0.0017350300000000, 0.0039225700000000, -0.0115160700000000 ] - [ -0.0001765600000000, -0.0006126400000000, -0.0030739100000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0057958900000000, 0.0069830200000000, -0.0059943500000000 ] - [ 0.0030857700000000, -0.0026044600000000, -0.0001832200000000 ] - [ -0.0490931800000000, -0.0277160300000000, -0.0585501900000000 ] - [ 0.0019070100000000, -0.0011496400000000, 0.0008230300000000 ] - [ -0.0029817800000000, -0.0011663100000000, 0.0020087900000000 ] - [ -0.0087690100000000, 0.0036274700000000, 0.0111314500000000 ] - [ 0.0006771700000000, -0.0003511000000000, -0.0007726500000000 ] - [ 0.0003312000000000, -0.0000302500000000, 0.0008421700000000 ] - [ -0.0014342900000000, -0.0003930600000000, -0.0061678700000000 ] - [ 0.0006905500000000, 0.0001857600000000, -0.0004927300000000 ] - [ 0.0018532100000000, -0.0004914400000000, -0.0018001700000000 ] - [ -0.0026834800000000, 0.0027575900000000, -0.0016268200000000 ] - [ -0.0005766600000000, 0.0008347500000000, 0.0030291600000000 ] - [ 0.0007400200000000, -0.0001111300000000, 0.0005196200000000 ] - [ -0.0000024800000000, 0.0002619000000000, 0.0013486900000000 ] - [ -0.0003704000000000, -0.0019394700000000, 0.0012418000000000 ] - [ -0.0025120100000000, -0.0000386500000000, 0.0030795600000000 ] - [ -0.0033606500000000, 0.0044959400000000, 0.0063471900000000 ] - [ 0.1710757200000000, -0.0475618000000000, 0.2349256900000000 ] - [ -0.0019381500000000, -0.0002029100000000, 0.0059607300000000 ] - [ 0.0006587500000000, -0.0011514100000000, 0.0031738200000000 ] - [ -0.0007933900000000, 0.0009411100000000, 0.0015034700000000 ] - [ -0.0010693900000000, 0.0007180900000000, 0.0005912500000000 ] - [ 0.0011555800000000, -0.0001794300000000, 0.0006478900000000 ] - [ -0.0101500300000000, 0.0035651500000000, -0.0113469700000000 ] - [ -0.0062259500000000, -0.0132870500000000, -0.0113631800000000 ] - [ 0.0009750300000000, 0.0043040100000000, -0.0043010700000000 ] - [ -0.0020634800000000, -0.0012912900000000, -0.0011782100000000 ] - [ -0.0009945000000000, 0.0017266900000000, -0.0018921800000000 ] - [ 0.0008133300000000, -0.0006458300000000, -0.0025049300000000 ] - [ 0.0010071700000000, -0.0029289000000000, -0.0069098300000000 ] - [ 0.0012854900000000, 0.0014006700000000, -0.0056731800000000 ] - [ 0.0009154300000000, 0.0001973600000000, -0.0022897500000000 ] - [ -0.0008303200000000, -0.0004677600000000, -0.0017327900000000 ] - [ -0.0016240100000000, -0.0025907000000000, -0.0008482700000000 ] - [ -0.0002632000000000, 0.0012930000000000, -0.0006501300000000 ] - [ 0.0001507100000000, 0.0154132300000000, -0.0221088700000000 ] - [ 0.0033292900000000, -0.0006873900000000, -0.0001271900000000 ] - [ -0.0224200000000000, -0.0038865300000000, -0.0111505300000000 ] - [ -0.0016272600000000, 0.0008321700000000, 0.0002414200000000 ] - [ -0.0782932200000000, 0.0643676700000000, -0.1332177400000000 ] - [ 0.0014422100000000, -0.0021710400000000, -0.0049870300000000 ] - [ -0.0000803400000000, -0.0003969100000000, -0.0023725300000000 ] - [ 0.0043682700000000, 0.0029329100000000, 0.0083098400000000 ] - [ -0.0022762000000000, -0.0040189600000000, 0.0114522200000000 ] - [ 0.0001755800000000, 0.0006209900000000, 0.0030646000000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0466429600000000, -0.0300630000000000, 0.0383228000000000 ] - [ 0.0060531400000000, -0.0024370400000000, -0.0036333200000000 ] - [ -0.0035903400000000, -0.0014973400000000, -0.0007992800000000 ] - [ -0.0054422300000000, -0.0032744800000000, 0.0044208600000000 ] - [ 0.0002479100000000, 0.0017822400000000, -0.0047901200000000 ] - [ -0.0018740100000000, 0.0001032100000000, -0.0000409200000000 ] - [ -0.0009029100000000, -0.0003041500000000, 0.0001566700000000 ] - [ 0.0042266600000000, -0.0015331700000000, -0.0010665400000000 ] - [ 0.0056850900000000, 0.0006384200000000, 0.0009711100000000 ] - [ -0.0024018000000000, -0.0001580100000000, -0.0000473400000000 ] - [ -0.0020069600000000, 0.0026600900000000, 0.0013558600000000 ] - [ 0.0007761800000000, 0.0007301200000000, -0.0004072100000000 ] - [ 0.0003905100000000, 0.0000483600000000, -0.0003761800000000 ] - [ 0.0004388500000000, -0.0002071300000000, -0.0007590500000000 ] - [ -0.0016389900000000, -0.0007635400000000, 0.0006629800000000 ] - [ 0.0000237000000000, 0.0010922000000000, 0.0014638500000000 ] - [ 0.0062125000000000, -0.0104769500000000, 0.0046775300000000 ] - [ -0.0024047600000000, 0.0018435200000000, 0.0006314700000000 ] - [ 0.0017675000000000, 0.0037479200000000, -0.0002916700000000 ] - [ 0.0034954600000000, -0.0001044100000000, -0.0004311200000000 ] - [ -0.1479855800000000, -0.0415597300000000, 0.0130723200000000 ] - [ 0.0001728900000000, 0.0147854400000000, -0.0000178200000000 ] - [ 0.0127625200000000, 0.0088094900000000, -0.0208811500000000 ] - [ -0.0058971800000000, -0.0088214400000000, 0.0082492400000000 ] - [ 0.0028182200000000, -0.0005166900000000, -0.0001821500000000 ] - [ 0.0004725900000000, 0.0010691900000000, 0.0003523200000000 ] - [ 0.0040369000000000, 0.0005715100000000, 0.0044652100000000 ] - [ 0.0027810400000000, 0.0015473400000000, -0.0009186000000000 ] - [ 0.0036814100000000, -0.0009497800000000, 0.0001741700000000 ] - [ 0.0010125000000000, -0.0007505600000000, 0.0008798600000000 ] - [ 0.0003636600000000, 0.0002096300000000, 0.0002159100000000 ] - [ 0.0015289700000000, 0.0004625600000000, -0.0004061300000000 ] - [ -0.0029519500000000, 0.0005456400000000, 0.0013155700000000 ] - [ -0.0003253400000000, 0.0011639700000000, -0.0015230400000000 ] - [ -0.0020146900000000, 0.0004472300000000, 0.0086191100000000 ] - [ -0.0022743200000000, 0.0003504700000000, 0.0000356800000000 ] - [ 0.0005095400000000, 0.0012713500000000, -0.0005099500000000 ] - [ 0.0025925500000000, -0.0010046300000000, 0.0017764200000000 ] - [ -0.0028210500000000, 0.0054372700000000, -0.0048265300000000 ] - [ -0.0004312900000000, -0.0002979800000000, 0.0009238900000000 ] - [ 0.0001502800000000, -0.0045012000000000, 0.0012793100000000 ] - [ -0.0039858500000000, 0.0031967600000000, -0.0025341300000000 ] - [ 0.0824297100000000, 0.0612057200000000, -0.0465808300000000 ] - [ -0.0022383900000000, -0.0003001200000000, 0.0004229600000000 ] - [ -0.0054789400000000, -0.0011827000000000, -0.0021035400000000 ] - [ 0.0053933200000000, -0.0030156000000000, -0.0013184900000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0472765100000000, 0.0310994000000000, -0.0393499400000000 ] - [ -0.0052708200000000, 0.0022116200000000, 0.0035675300000000 ] - [ 0.0035897600000000, 0.0014870300000000, 0.0007925200000000 ] - [ 0.0052348100000000, 0.0024986600000000, -0.0043559800000000 ] - [ -0.0000042200000000, -0.0009627900000000, 0.0048671400000000 ] - [ 0.0018745500000000, -0.0001064100000000, 0.0000433500000000 ] - [ 0.0009054300000000, 0.0003043200000000, 0.0005294000000000 ] - [ -0.0042074900000000, 0.0015223200000000, 0.0003731700000000 ] - [ -0.0050253700000000, 0.0000143400000000, 0.0000951600000000 ] - [ 0.0026697400000000, -0.0002378600000000, 0.0009196500000000 ] - [ 0.0015995200000000, -0.0029498300000000, -0.0022401100000000 ] - [ -0.0003669900000000, -0.0004675700000000, -0.0004745400000000 ] - [ -0.0011880100000000, -0.0000619400000000, -0.0008472800000000 ] - [ 0.0003565400000000, 0.0002198400000000, -0.0004686200000000 ] - [ 0.0016478500000000, -0.0000379300000000, 0.0005677600000000 ] - [ -0.0000314200000000, -0.0002872400000000, -0.0002332600000000 ] - [ -0.0062464100000000, 0.0104621900000000, -0.0039923400000000 ] - [ 0.0023927600000000, -0.0017248600000000, 0.0000864000000000 ] - [ -0.0030804100000000, -0.0048541600000000, 0.0006144200000000 ] - [ -0.0021831700000000, 0.0012328900000000, 0.0007596600000000 ] - [ 0.1475112300000000, 0.0425147200000000, -0.0136370200000000 ] - [ -0.0005314900000000, -0.0149460000000000, 0.0004169800000000 ] - [ -0.0129360200000000, -0.0084727700000000, 0.0207712900000000 ] - [ 0.0059220500000000, 0.0084542300000000, -0.0086979700000000 ] - [ -0.0016908900000000, -0.0007913900000000, -0.0001433200000000 ] - [ -0.0016125300000000, 0.0002460500000000, -0.0006806200000000 ] - [ -0.0041478700000000, -0.0005843800000000, -0.0051573200000000 ] - [ -0.0026691800000000, -0.0015453100000000, 0.0002067900000000 ] - [ -0.0037063800000000, 0.0011905900000000, 0.0010718300000000 ] - [ -0.0009999500000000, 0.0005086800000000, 0.0003567000000000 ] - [ -0.0017813100000000, -0.0008422500000000, -0.0008266800000000 ] - [ -0.0001148700000000, 0.0001762700000000, -0.0002094800000000 ] - [ 0.0024125100000000, 0.0002542200000000, -0.0016999200000000 ] - [ 0.0008722200000000, -0.0019712600000000, 0.0011568200000000 ] - [ 0.0012399100000000, -0.0009859400000000, -0.0082603400000000 ] - [ 0.0030798100000000, 0.0001938000000000, 0.0003526700000000 ] - [ -0.0011553300000000, 0.0001369100000000, 0.0011264300000000 ] - [ -0.0019560500000000, -0.0004068800000000, -0.0011659100000000 ] - [ 0.0030462900000000, -0.0054080600000000, 0.0035723900000000 ] - [ 0.0001973400000000, 0.0002861500000000, -0.0021768700000000 ] - [ -0.0002447700000000, 0.0050227400000000, -0.0012154400000000 ] - [ 0.0041060100000000, -0.0037257400000000, 0.0025875100000000 ] - [ -0.0825563700000000, -0.0631519400000000, 0.0481141800000000 ] - [ 0.0027696400000000, 0.0004191300000000, -0.0004700500000000 ] - [ 0.0049526700000000, 0.0010563300000000, 0.0020511500000000 ] - [ -0.0053968300000000, 0.0030101000000000, 0.0013021000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0305192400000000, 0.0615465500000000, -0.0506212100000000 ] - [ 0.0039764600000000, -0.0112589200000000, -0.0081567900000000 ] - [ -0.0013012400000000, -0.0021312300000000, -0.0029225500000000 ] - [ -0.0026615800000000, -0.0006066800000000, 0.0028250200000000 ] - [ 0.0067540900000000, 0.0070472600000000, 0.0064066500000000 ] - [ -0.0007581700000000, -0.0007689300000000, 0.0021279900000000 ] - [ -0.0001407400000000, 0.0019057900000000, 0.0010928400000000 ] - [ -0.0000866400000000, -0.0009900500000000, 0.0001512900000000 ] - [ -0.0010367700000000, 0.0067319500000000, -0.0009318000000000 ] - [ -0.0031948400000000, -0.0014072500000000, 0.0005628400000000 ] - [ 0.0022667400000000, 0.0009138500000000, -0.0034484400000000 ] - [ 0.0012277800000000, -0.0039504800000000, -0.0010721500000000 ] - [ -0.0005198900000000, 0.0007637000000000, 0.0008598900000000 ] - [ 0.0003609700000000, -0.0010567700000000, -0.0003581300000000 ] - [ 0.0002916200000000, 0.0007222300000000, 0.0010348400000000 ] - [ 0.0005475300000000, -0.0003677700000000, 0.0005637600000000 ] - [ -0.0129668400000000, 0.0101296500000000, -0.0043716300000000 ] - [ -0.0023817300000000, 0.0065840000000000, 0.0025319800000000 ] - [ 0.0031394300000000, 0.0030405800000000, 0.0013603900000000 ] - [ 0.0004691200000000, 0.0039570500000000, 0.0011505300000000 ] - [ -0.0390959100000000, -0.2355231600000000, 0.1696287000000000 ] - [ 0.0145211900000000, 0.0198823500000000, 0.0001439100000000 ] - [ 0.0047802800000000, -0.0056544300000000, -0.0039851200000000 ] - [ -0.0046980700000000, 0.0125746600000000, -0.0224070500000000 ] - [ 0.0005655800000000, -0.0013938900000000, 0.0009617200000000 ] - [ -0.0009204500000000, 0.0027568800000000, 0.0008709000000000 ] - [ -0.0008926500000000, -0.0031532700000000, 0.0003731900000000 ] - [ 0.0011882100000000, 0.0009124100000000, -0.0011502500000000 ] - [ 0.0011423700000000, -0.0011965600000000, 0.0001040200000000 ] - [ -0.0021976600000000, 0.0007026700000000, -0.0006340800000000 ] - [ -0.0003025000000000, -0.0010577700000000, -0.0012986600000000 ] - [ 0.0006609400000000, 0.0018299100000000, -0.0014879200000000 ] - [ -0.0000269500000000, -0.0020712800000000, -0.0027575300000000 ] - [ 0.0008713600000000, -0.0011460000000000, -0.0015693200000000 ] - [ -0.0014156300000000, -0.0064465200000000, -0.0028985300000000 ] - [ 0.0005819700000000, 0.0007336600000000, 0.0032637400000000 ] - [ 0.0015488300000000, 0.0033783300000000, -0.0007495200000000 ] - [ -0.0008633600000000, 0.0003419700000000, -0.0018007500000000 ] - [ 0.0042112200000000, 0.0132605500000000, -0.0112708900000000 ] - [ 0.0007238900000000, 0.0051360600000000, 0.0000398000000000 ] - [ -0.0050087800000000, -0.0116185700000000, -0.0027993200000000 ] - [ 0.0024313400000000, -0.0089035000000000, 0.0033422500000000 ] - [ 0.0608220000000000, 0.1316286800000000, -0.0742772600000000 ] - [ 0.0008675500000000, -0.0029329100000000, 0.0003249000000000 ] - [ -0.0007883200000000, 0.0021808700000000, -0.0002351000000000 ] - [ -0.0021725200000000, 0.0049743600000000, 0.0014828600000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0282808500000000, -0.0602420200000000, 0.0481951700000000 ] - [ -0.0032060400000000, 0.0110797400000000, 0.0081837500000000 ] - [ 0.0012977200000000, 0.0021346400000000, 0.0029081500000000 ] - [ 0.0024374200000000, -0.0002059200000000, -0.0027736700000000 ] - [ -0.0065695500000000, -0.0063065200000000, -0.0063841000000000 ] - [ 0.0007539100000000, 0.0007737000000000, -0.0021179700000000 ] - [ 0.0001376400000000, -0.0019085100000000, -0.0004461500000000 ] - [ 0.0000770000000000, 0.0009991800000000, -0.0007910500000000 ] - [ 0.0007961100000000, -0.0063390800000000, 0.0018117400000000 ] - [ 0.0034831700000000, 0.0010074400000000, 0.0003170200000000 ] - [ -0.0026534800000000, -0.0011658900000000, 0.0025565600000000 ] - [ -0.0008400000000000, 0.0042261600000000, 0.0001829000000000 ] - [ -0.0002776300000000, -0.0007673400000000, -0.0020923900000000 ] - [ 0.0004400700000000, 0.0010640800000000, -0.0008775700000000 ] - [ -0.0002861400000000, -0.0015171500000000, 0.0001990400000000 ] - [ -0.0005599300000000, 0.0011592400000000, 0.0006669100000000 ] - [ 0.0128679600000000, -0.0102475900000000, 0.0050691400000000 ] - [ 0.0023871300000000, -0.0064514800000000, -0.0018067000000000 ] - [ -0.0044203300000000, -0.0041555100000000, -0.0010117700000000 ] - [ 0.0008335600000000, -0.0028417300000000, -0.0008049800000000 ] - [ 0.0450152300000000, 0.2391124900000000, -0.1716750300000000 ] - [ -0.0152109800000000, -0.0202167100000000, 0.0002893100000000 ] - [ -0.0047368400000000, 0.0061624400000000, 0.0034776500000000 ] - [ 0.0048198100000000, -0.0131215700000000, 0.0223343200000000 ] - [ 0.0005547600000000, 0.0000751100000000, -0.0012983100000000 ] - [ -0.0001976500000000, -0.0014470400000000, -0.0012105100000000 ] - [ 0.0007483400000000, 0.0031477200000000, -0.0011149200000000 ] - [ -0.0010466100000000, -0.0008921100000000, 0.0004254600000000 ] - [ -0.0011510700000000, 0.0014228900000000, 0.0011318300000000 ] - [ 0.0022277800000000, -0.0009314500000000, 0.0018799900000000 ] - [ -0.0011335100000000, 0.0004266500000000, 0.0006872300000000 ] - [ 0.0007786800000000, -0.0012065100000000, 0.0008796000000000 ] - [ -0.0005165200000000, 0.0029130600000000, 0.0023807200000000 ] - [ -0.0003424000000000, 0.0003408400000000, 0.0011740200000000 ] - [ 0.0006184000000000, 0.0059082900000000, 0.0033824300000000 ] - [ 0.0002450100000000, -0.0001798400000000, -0.0028940800000000 ] - [ -0.0021606800000000, -0.0019397800000000, 0.0013492700000000 ] - [ 0.0014796300000000, -0.0017853800000000, 0.0023943800000000 ] - [ -0.0039565300000000, -0.0131560700000000, 0.0098831400000000 ] - [ -0.0009612600000000, -0.0051627200000000, -0.0012957400000000 ] - [ 0.0048637900000000, 0.0121302100000000, 0.0028915200000000 ] - [ -0.0023101600000000, 0.0083802600000000, -0.0032539300000000 ] - [ -0.0647231100000000, -0.1360089000000000, 0.0789616500000000 ] - [ -0.0003468500000000, 0.0030447100000000, -0.0004059300000000 ] - [ 0.0002571800000000, -0.0022768400000000, 0.0001534000000000 ] - [ 0.0022061400000000, -0.0050351700000000, -0.0015115000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0368779400000000, -0.0490959500000000, 0.0787105100000000 ] - [ -0.0011404000000000, -0.0003353700000000, 0.0035437700000000 ] - [ 0.0001300200000000, 0.0001498900000000, 0.0027860600000000 ] - [ 0.0030410600000000, 0.0032872300000000, -0.0077550200000000 ] - [ -0.0051316500000000, -0.0021329200000000, -0.0102819900000000 ] - [ 0.0005376900000000, 0.0000709000000000, -0.0026560700000000 ] - [ -0.0002800700000000, 0.0003293100000000, 0.0011049400000000 ] - [ -0.0007741000000000, 0.0005269500000000, -0.0013768200000000 ] - [ 0.0008588700000000, -0.0008744600000000, 0.0072321400000000 ] - [ 0.0006120500000000, 0.0004641700000000, 0.0015782200000000 ] - [ 0.0015423300000000, -0.0031010500000000, 0.0011807100000000 ] - [ -0.0005311500000000, 0.0030401700000000, 0.0012910200000000 ] - [ 0.0001005500000000, -0.0000299700000000, -0.0034809200000000 ] - [ 0.0002810100000000, 0.0001872800000000, -0.0017665100000000 ] - [ -0.0016379100000000, -0.0005793600000000, -0.0001596100000000 ] - [ 0.0008129500000000, 0.0001208600000000, -0.0003528800000000 ] - [ 0.0044920400000000, -0.0038582100000000, -0.0023089100000000 ] - [ -0.0000118900000000, -0.0023996100000000, -0.0023387800000000 ] - [ -0.0026446600000000, -0.0010118800000000, -0.0028073600000000 ] - [ 0.0015646600000000, -0.0003755200000000, -0.0011468500000000 ] - [ 0.0158875400000000, 0.1709163900000000, -0.2167185800000000 ] - [ 0.0000499800000000, 0.0001063100000000, -0.0080159900000000 ] - [ -0.0225373000000000, -0.0083069600000000, 0.0145778200000000 ] - [ 0.0037813300000000, -0.0211843900000000, 0.0145952100000000 ] - [ 0.0004902600000000, 0.0006578800000000, -0.0010209000000000 ] - [ -0.0000641900000000, -0.0005327000000000, -0.0009616700000000 ] - [ 0.0041627700000000, 0.0020090300000000, 0.0022479300000000 ] - [ -0.0013679700000000, -0.0020477400000000, 0.0002507800000000 ] - [ -0.0005734700000000, 0.0009742800000000, 0.0032661200000000 ] - [ 0.0015126100000000, -0.0009485300000000, 0.0026391100000000 ] - [ -0.0009962800000000, 0.0010005800000000, 0.0017973400000000 ] - [ 0.0008422500000000, -0.0006994000000000, 0.0011873600000000 ] - [ -0.0029085000000000, 0.0017196700000000, 0.0064082700000000 ] - [ 0.0017448100000000, 0.0009347500000000, 0.0056953900000000 ] - [ 0.0077965600000000, 0.0026880400000000, 0.0182370000000000 ] - [ 0.0006990400000000, 0.0032273800000000, 0.0024543300000000 ] - [ -0.0025651300000000, -0.0006901700000000, 0.0012147900000000 ] - [ 0.0011504900000000, -0.0012275200000000, 0.0012106600000000 ] - [ -0.0042143100000000, -0.0140258200000000, 0.0043891900000000 ] - [ 0.0006213000000000, -0.0009703400000000, -0.0009067100000000 ] - [ 0.0063016000000000, 0.0069693200000000, 0.0051601200000000 ] - [ -0.0022408600000000, 0.0023820100000000, -0.0004594200000000 ] - [ -0.0478072100000000, -0.0776686200000000, 0.0977138000000000 ] - [ -0.0004188000000000, 0.0021912100000000, -0.0009629800000000 ] - [ -0.0014224400000000, -0.0034853700000000, -0.0019797200000000 ] - [ 0.0033766100000000, -0.0083717500000000, -0.0130149000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0398841200000000, 0.0523290100000000, -0.0813157400000000 ] - [ 0.0019425800000000, 0.0001015800000000, -0.0036832400000000 ] - [ -0.0001364500000000, -0.0001517600000000, -0.0027735500000000 ] - [ -0.0032471800000000, -0.0040457800000000, 0.0078393800000000 ] - [ 0.0053091700000000, 0.0029081200000000, 0.0103481100000000 ] - [ -0.0005433200000000, -0.0000727200000000, 0.0026497800000000 ] - [ 0.0002778200000000, -0.0003285900000000, -0.0004266700000000 ] - [ 0.0007684400000000, -0.0005275200000000, 0.0006977600000000 ] - [ -0.0011474600000000, 0.0012746300000000, -0.0063823700000000 ] - [ -0.0003539500000000, -0.0008591700000000, -0.0006914900000000 ] - [ -0.0019463900000000, 0.0028201000000000, -0.0020422900000000 ] - [ 0.0009321100000000, -0.0027622200000000, -0.0021643900000000 ] - [ -0.0009067900000000, 0.0000107200000000, 0.0022610500000000 ] - [ 0.0005211900000000, -0.0001743300000000, 0.0005333900000000 ] - [ 0.0016562000000000, -0.0002244900000000, 0.0013807500000000 ] - [ -0.0008279000000000, 0.0006839400000000, 0.0015776300000000 ] - [ -0.0044581100000000, 0.0036677000000000, 0.0031458600000000 ] - [ -0.0000020300000000, 0.0025641800000000, 0.0031346600000000 ] - [ 0.0013244400000000, -0.0000872600000000, 0.0031504000000000 ] - [ -0.0002344600000000, 0.0014793000000000, 0.0014791100000000 ] - [ -0.0108250100000000, -0.1703721400000000, 0.2184348700000000 ] - [ -0.0003595100000000, -0.0000366800000000, 0.0084118900000000 ] - [ 0.0222160400000000, 0.0085966500000000, -0.0149331600000000 ] - [ -0.0036862700000000, 0.0204929700000000, -0.0149095000000000 ] - [ 0.0006123300000000, -0.0019705900000000, 0.0006765700000000 ] - [ -0.0010248200000000, 0.0018479800000000, 0.0006211500000000 ] - [ -0.0042857200000000, -0.0020043300000000, -0.0030289400000000 ] - [ 0.0015183100000000, 0.0020407600000000, -0.0010478900000000 ] - [ 0.0005337000000000, -0.0007231200000000, -0.0020715200000000 ] - [ -0.0014694700000000, 0.0006957700000000, -0.0014472800000000 ] - [ -0.0004377200000000, -0.0016238900000000, -0.0024167400000000 ] - [ 0.0005970900000000, 0.0013241100000000, -0.0018039100000000 ] - [ 0.0024050500000000, -0.0008778000000000, -0.0068297100000000 ] - [ -0.0012411500000000, -0.0018026500000000, -0.0061212800000000 ] - [ -0.0088088100000000, -0.0031880800000000, -0.0180061800000000 ] - [ 0.0001411000000000, -0.0027457600000000, -0.0020257700000000 ] - [ 0.0019433500000000, 0.0021369600000000, -0.0005909300000000 ] - [ -0.0005133600000000, -0.0002070300000000, -0.0005766500000000 ] - [ 0.0044819500000000, 0.0141875000000000, -0.0056313800000000 ] - [ -0.0008729300000000, 0.0009370100000000, -0.0002655000000000 ] - [ -0.0064404100000000, -0.0064882100000000, -0.0051481500000000 ] - [ 0.0023493200000000, -0.0028716200000000, 0.0004713600000000 ] - [ 0.0456751800000000, 0.0743306300000000, -0.0964050300000000 ] - [ 0.0009109600000000, -0.0020636800000000, 0.0009335400000000 ] - [ 0.0009222400000000, 0.0033509000000000, 0.0019510000000000 ] - [ -0.0033852100000000, 0.0084288900000000, 0.0130409900000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021310400000000, -0.0025838500000000, -0.0010165700000000 ] - [ -0.0005560600000000, 0.0020077200000000, -0.0007502000000000 ] - [ 0.0001242900000000, 0.0027111800000000, -0.0022591200000000 ] - [ 0.0740036500000000, -0.0621468800000000, -0.0341312700000000 ] - [ -0.0112293300000000, -0.0084547400000000, 0.0031154000000000 ] - [ 0.0060095100000000, 0.0064073800000000, 0.0064340000000000 ] - [ 0.0013021600000000, 0.0003522400000000, 0.0001230800000000 ] - [ -0.0009307700000000, 0.0004880200000000, -0.0001347400000000 ] - [ -0.0011149100000000, 0.0001080000000000, -0.0030682100000000 ] - [ 0.0010754200000000, 0.0004136300000000, 0.0010339000000000 ] - [ 0.0006588500000000, -0.0035042000000000, 0.0023217400000000 ] - [ -0.0006972100000000, 0.0003173800000000, -0.0005724400000000 ] - [ -0.0039467500000000, -0.0001774900000000, 0.0001382400000000 ] - [ 0.0010113100000000, 0.0015752900000000, -0.0007111600000000 ] - [ 0.0041918300000000, -0.0013909600000000, 0.0008205000000000 ] - [ -0.0007535000000000, 0.0003150600000000, 0.0012874300000000 ] - [ -0.0007965600000000, 0.0011111200000000, 0.0002123100000000 ] - [ 0.0015036200000000, -0.0010863900000000, 0.0002407400000000 ] - [ 0.0000798800000000, -0.0013851400000000, 0.0011595700000000 ] - [ -0.0005964800000000, -0.0000912000000000, 0.0009766600000000 ] - [ 0.0038992400000000, 0.0011777800000000, -0.0003659500000000 ] - [ 0.0007997400000000, -0.0022494600000000, -0.0013027100000000 ] - [ 0.0132075300000000, -0.0052387400000000, -0.0143646100000000 ] - [ 0.0051776800000000, 0.0000840300000000, 0.0007620200000000 ] - [ -0.0059242700000000, -0.0038610700000000, 0.0037719100000000 ] - [ -0.0015030100000000, -0.0004703900000000, 0.0006700200000000 ] - [ 0.0220053000000000, -0.0015735200000000, 0.0146923800000000 ] - [ -0.0060802500000000, -0.0042899900000000, -0.0016033800000000 ] - [ -0.2518244800000000, 0.1995758800000000, -0.0306678900000000 ] - [ 0.0007337000000000, 0.0045144400000000, 0.0011197700000000 ] - [ 0.0094851300000000, -0.0237914800000000, -0.0062915800000000 ] - [ -0.0020449800000000, -0.0023761300000000, 0.0001733500000000 ] - [ 0.0064425700000000, 0.0024531600000000, -0.0027370800000000 ] - [ 0.0143942800000000, -0.0113409100000000, 0.0055185100000000 ] - [ 0.0024206600000000, 0.0011407100000000, 0.0032211600000000 ] - [ 0.0031706500000000, -0.0007100600000000, 0.0020415900000000 ] - [ 0.0006520900000000, -0.0005909700000000, -0.0019879600000000 ] - [ -0.0025192200000000, -0.0005105700000000, -0.0009826800000000 ] - [ 0.0020151900000000, 0.0010411000000000, -0.0009016900000000 ] - [ -0.0008359800000000, -0.0010395600000000, -0.0002698600000000 ] - [ -0.0030326300000000, 0.0006418200000000, 0.0008134900000000 ] - [ 0.0023876800000000, -0.0003738600000000, -0.0001479800000000 ] - [ -0.0089596400000000, 0.0038500100000000, 0.0035576700000000 ] - [ 0.0067006700000000, 0.0012103100000000, -0.0031116300000000 ] - [ 0.1339321500000000, -0.0888930400000000, 0.0580465700000000 ] - [ -0.0119077300000000, -0.0033656300000000, -0.0048732900000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013537400000000, 0.0027696400000000, 0.0009615900000000 ] - [ 0.0013421300000000, -0.0021973700000000, 0.0006957700000000 ] - [ -0.0001535200000000, -0.0026870100000000, 0.0022274800000000 ] - [ -0.0725262300000000, 0.0582970100000000, 0.0325204700000000 ] - [ 0.0114392300000000, 0.0092968200000000, -0.0030751700000000 ] - [ -0.0060361600000000, -0.0064070000000000, -0.0064374400000000 ] - [ -0.0013047300000000, -0.0003487000000000, 0.0005662000000000 ] - [ 0.0009371000000000, -0.0004883600000000, -0.0005606200000000 ] - [ 0.0008270000000000, 0.0002848400000000, 0.0039566900000000 ] - [ -0.0007886700000000, -0.0008065300000000, -0.0001711700000000 ] - [ -0.0010292300000000, 0.0032126100000000, -0.0031913100000000 ] - [ 0.0010900700000000, -0.0000372700000000, -0.0003028000000000 ] - [ 0.0031459300000000, 0.0001574200000000, -0.0013684700000000 ] - [ -0.0002043100000000, -0.0015592400000000, -0.0005168600000000 ] - [ -0.0041873400000000, 0.0005869800000000, 0.0003756900000000 ] - [ 0.0007348300000000, 0.0004860800000000, -0.0000613000000000 ] - [ 0.0007930800000000, -0.0012212000000000, 0.0004936400000000 ] - [ -0.0015076100000000, 0.0012012100000000, 0.0004660400000000 ] - [ -0.0013657600000000, 0.0002629800000000, -0.0008129700000000 ] - [ 0.0018928200000000, 0.0012043300000000, -0.0006286900000000 ] - [ -0.0034928300000000, -0.0011125200000000, 0.0007477300000000 ] - [ -0.0012095300000000, 0.0021723500000000, 0.0016861000000000 ] - [ -0.0132133800000000, 0.0056075300000000, 0.0138417600000000 ] - [ -0.0051177600000000, -0.0004978100000000, -0.0011570200000000 ] - [ 0.0071488900000000, 0.0024259700000000, -0.0039880400000000 ] - [ 0.0003890500000000, 0.0017671200000000, -0.0010109800000000 ] - [ -0.0224321000000000, 0.0016323400000000, -0.0157043000000000 ] - [ 0.0061784200000000, 0.0043869400000000, 0.0009279500000000 ] - [ 0.2542721500000000, -0.2015655200000000, 0.0372827500000000 ] - [ -0.0006915400000000, -0.0047823100000000, 0.0001353400000000 ] - [ -0.0110092700000000, 0.0234616500000000, 0.0057540600000000 ] - [ 0.0034868900000000, 0.0030228600000000, -0.0007891800000000 ] - [ -0.0069686900000000, -0.0016449700000000, 0.0023659400000000 ] - [ -0.0137719700000000, 0.0103780900000000, -0.0058587400000000 ] - [ -0.0032312500000000, -0.0016660900000000, -0.0028252000000000 ] - [ -0.0023490200000000, 0.0012308600000000, -0.0016509700000000 ] - [ -0.0012818600000000, 0.0020179700000000, 0.0025991900000000 ] - [ 0.0031504100000000, -0.0009256000000000, 0.0015801500000000 ] - [ -0.0017772100000000, -0.0010158700000000, -0.0003529200000000 ] - [ 0.0005961700000000, 0.0010176100000000, -0.0009932000000000 ] - [ 0.0029007500000000, -0.0001178400000000, -0.0007692400000000 ] - [ -0.0022431800000000, -0.0001520800000000, 0.0001959700000000 ] - [ 0.0089651000000000, -0.0038404900000000, -0.0035540500000000 ] - [ -0.0062317100000000, -0.0011148800000000, 0.0030915200000000 ] - [ -0.1384078500000000, 0.0939329800000000, -0.0615368100000000 ] - [ 0.0118889400000000, 0.0033744800000000, 0.0048454200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002733900000000, 0.0027698300000000, 0.0002046100000000 ] - [ 0.0006158900000000, -0.0027256800000000, 0.0006794900000000 ] - [ 0.0034516600000000, -0.0086318900000000, 0.0034645300000000 ] - [ -0.0603090600000000, 0.0838826800000000, 0.0372268900000000 ] - [ -0.0003277900000000, 0.0053404700000000, -0.0024600800000000 ] - [ -0.0036223100000000, -0.0107501900000000, -0.0056432000000000 ] - [ 0.0002340400000000, 0.0010256000000000, 0.0001615300000000 ] - [ 0.0004960500000000, -0.0007774900000000, -0.0006222500000000 ] - [ 0.0006461600000000, 0.0013534800000000, 0.0011729900000000 ] - [ 0.0002372800000000, -0.0012344900000000, -0.0020558600000000 ] - [ -0.0036236300000000, 0.0012803700000000, 0.0014478200000000 ] - [ 0.0001851500000000, -0.0008549400000000, -0.0006760700000000 ] - [ 0.0018217700000000, 0.0008697400000000, -0.0008621200000000 ] - [ 0.0004005900000000, -0.0028140500000000, -0.0001745000000000 ] - [ -0.0008764300000000, 0.0038148000000000, 0.0017658700000000 ] - [ -0.0003615800000000, -0.0005871900000000, 0.0015380000000000 ] - [ 0.0013114400000000, -0.0008412900000000, 0.0000595600000000 ] - [ -0.0010921900000000, 0.0016168600000000, 0.0005262500000000 ] - [ -0.0028849800000000, 0.0003386700000000, -0.0014465900000000 ] - [ 0.0016868500000000, 0.0035983700000000, -0.0003686100000000 ] - [ -0.0008675700000000, -0.0012780000000000, 0.0010559700000000 ] - [ -0.0008295800000000, 0.0007924300000000, 0.0010273200000000 ] - [ -0.0041448400000000, -0.0027019000000000, 0.0041689800000000 ] - [ -0.0008110100000000, -0.0005041500000000, 0.0005435900000000 ] - [ -0.0076503700000000, 0.0172206500000000, -0.0227029900000000 ] - [ 0.0006112500000000, 0.0065151300000000, 0.0013402800000000 ] - [ -0.0024508500000000, -0.0085035900000000, -0.0014004100000000 ] - [ 0.0019269700000000, 0.0178915900000000, 0.0080791600000000 ] - [ 0.2011740800000000, -0.2486378200000000, 0.0242852300000000 ] - [ 0.0046348100000000, 0.0032330700000000, 0.0014129100000000 ] - [ -0.0216145000000000, 0.0187307500000000, 0.0055352500000000 ] - [ 0.0022388800000000, 0.0071808500000000, -0.0030141300000000 ] - [ -0.0028339900000000, -0.0022426400000000, 0.0001123900000000 ] - [ -0.0148258700000000, 0.0047989200000000, -0.0057337800000000 ] - [ -0.0008915900000000, -0.0032148200000000, -0.0017335200000000 ] - [ -0.0011315200000000, 0.0011638400000000, -0.0021469600000000 ] - [ -0.0011756500000000, 0.0030127600000000, 0.0019940100000000 ] - [ 0.0022719200000000, 0.0011655500000000, 0.0032782500000000 ] - [ -0.0010721500000000, -0.0007057400000000, -0.0002955900000000 ] - [ 0.0010735400000000, 0.0018851200000000, -0.0009895100000000 ] - [ 0.0022969100000000, -0.0009039600000000, -0.0006587900000000 ] - [ -0.0029317900000000, -0.0019594400000000, -0.0005826600000000 ] - [ 0.0028022000000000, -0.0005457100000000, -0.0023339200000000 ] - [ -0.0078269800000000, -0.0136290700000000, 0.0028861700000000 ] - [ -0.0927528400000000, 0.1191591100000000, -0.0542322300000000 ] - [ 0.0070650200000000, 0.0054034000000000, 0.0061667100000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005097900000000, -0.0025549600000000, -0.0002662900000000 ] - [ 0.0001655600000000, 0.0025202500000000, -0.0007403200000000 ] - [ -0.0034426800000000, 0.0086418600000000, -0.0034696300000000 ] - [ 0.0635779900000000, -0.0872529600000000, -0.0392627100000000 ] - [ 0.0004978100000000, -0.0046338500000000, 0.0025497700000000 ] - [ 0.0036228900000000, 0.0107458700000000, 0.0056216300000000 ] - [ -0.0002323800000000, -0.0010300600000000, 0.0005223000000000 ] - [ -0.0004978100000000, 0.0007845200000000, -0.0000637100000000 ] - [ -0.0009214400000000, -0.0009475200000000, -0.0003189500000000 ] - [ 0.0000388900000000, 0.0008294000000000, 0.0029403700000000 ] - [ 0.0032217800000000, -0.0015413200000000, -0.0023291500000000 ] - [ 0.0002203600000000, 0.0011278200000000, -0.0001977900000000 ] - [ -0.0026211100000000, -0.0008745700000000, -0.0003557500000000 ] - [ 0.0003914600000000, 0.0028312800000000, -0.0010588400000000 ] - [ 0.0008887100000000, -0.0046322700000000, -0.0005865000000000 ] - [ 0.0003523100000000, 0.0013833400000000, -0.0003202400000000 ] - [ -0.0012980600000000, 0.0007147500000000, 0.0006521900000000 ] - [ 0.0010837600000000, -0.0014957400000000, 0.0001878600000000 ] - [ 0.0015643600000000, -0.0014738800000000, 0.0017788300000000 ] - [ -0.0003729800000000, -0.0024747200000000, 0.0006913800000000 ] - [ 0.0012744100000000, 0.0013384100000000, -0.0006479300000000 ] - [ 0.0004285600000000, -0.0008391700000000, -0.0006237800000000 ] - [ 0.0040257600000000, 0.0031660900000000, -0.0045189300000000 ] - [ 0.0008702100000000, 0.0001243000000000, -0.0009393800000000 ] - [ 0.0087004000000000, -0.0184121000000000, 0.0220752500000000 ] - [ -0.0017630200000000, -0.0052132900000000, -0.0016817000000000 ] - [ 0.0024803400000000, 0.0084538400000000, 0.0007597300000000 ] - [ -0.0017880900000000, -0.0180673200000000, -0.0089446300000000 ] - [ -0.1999533400000000, 0.2489751100000000, -0.0179275000000000 ] - [ -0.0046682400000000, -0.0034622400000000, -0.0001654500000000 ] - [ 0.0198457600000000, -0.0191957100000000, -0.0060702100000000 ] - [ -0.0008188800000000, -0.0065539500000000, 0.0024146700000000 ] - [ 0.0023201100000000, 0.0030691700000000, -0.0005080000000000 ] - [ 0.0154980800000000, -0.0056527200000000, 0.0053855100000000 ] - [ 0.0000769600000000, 0.0026886600000000, 0.0021136400000000 ] - [ 0.0019512900000000, -0.0006274200000000, 0.0025351700000000 ] - [ 0.0005372400000000, -0.0015906500000000, -0.0013731200000000 ] - [ -0.0016347900000000, -0.0025960500000000, -0.0026632500000000 ] - [ 0.0013045400000000, 0.0007206000000000, -0.0009528800000000 ] - [ -0.0013027900000000, -0.0019017300000000, -0.0002667100000000 ] - [ -0.0024121400000000, 0.0014311000000000, 0.0006985000000000 ] - [ 0.0030423300000000, 0.0014419200000000, 0.0006336800000000 ] - [ -0.0027925200000000, 0.0005184000000000, 0.0023118200000000 ] - [ 0.0084137400000000, 0.0137777200000000, -0.0029402100000000 ] - [ 0.0877183700000000, -0.1168294100000000, 0.0514986100000000 ] - [ -0.0070839200000000, -0.0054308100000000, -0.0061773300000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015475200000000, -0.0004633100000000, -0.0034252500000000 ] - [ 0.0006270600000000, -0.0001163100000000, -0.0019038200000000 ] - [ -0.0027723400000000, 0.0042155600000000, -0.0045853900000000 ] - [ -0.0339668500000000, 0.0373195600000000, 0.0423607900000000 ] - [ -0.0012965400000000, -0.0034091200000000, 0.0054795200000000 ] - [ 0.0002691700000000, -0.0043861200000000, -0.0009555900000000 ] - [ -0.0002479400000000, -0.0002493000000000, -0.0003028700000000 ] - [ -0.0004700000000000, -0.0003674700000000, 0.0025010500000000 ] - [ -0.0003452200000000, -0.0001131600000000, -0.0016125400000000 ] - [ -0.0000802600000000, -0.0002509900000000, -0.0008481200000000 ] - [ 0.0024944100000000, 0.0016789300000000, -0.0019920800000000 ] - [ 0.0000139800000000, -0.0000255300000000, -0.0005497800000000 ] - [ -0.0000715000000000, 0.0000313700000000, 0.0001825200000000 ] - [ 0.0004033800000000, 0.0003839600000000, 0.0000740100000000 ] - [ 0.0009240400000000, 0.0001803300000000, 0.0104536500000000 ] - [ 0.0007056800000000, 0.0012268000000000, 0.0002313600000000 ] - [ -0.0000128600000000, -0.0001349400000000, 0.0024441300000000 ] - [ 0.0001252500000000, -0.0000086400000000, 0.0011895300000000 ] - [ 0.0008215500000000, -0.0012780300000000, 0.0026854000000000 ] - [ -0.0002497400000000, 0.0000665400000000, 0.0032965500000000 ] - [ -0.0002444200000000, -0.0004865400000000, 0.0028418600000000 ] - [ -0.0004614000000000, 0.0012292300000000, 0.0022156900000000 ] - [ -0.0105551200000000, 0.0043931300000000, 0.0048255000000000 ] - [ -0.0006379400000000, 0.0013504500000000, -0.0004869400000000 ] - [ 0.0081828900000000, -0.0213071900000000, 0.0102622300000000 ] - [ 0.0009836400000000, -0.0007781700000000, -0.0010256200000000 ] - [ 0.0139183600000000, -0.0009605300000000, -0.0011973700000000 ] - [ 0.0006152000000000, 0.0079476100000000, -0.0019826300000000 ] - [ -0.0336256100000000, 0.0207701000000000, -0.1341570200000000 ] - [ -0.0004797300000000, -0.0009037700000000, -0.0024814200000000 ] - [ -0.0098445800000000, 0.0106615200000000, -0.0055020800000000 ] - [ 0.0010587800000000, 0.0015645000000000, -0.0027768400000000 ] - [ 0.0014136200000000, 0.0009125200000000, -0.0025366400000000 ] - [ 0.0073353900000000, -0.0052311700000000, -0.0022033800000000 ] - [ 0.0028025400000000, -0.0002940100000000, 0.0022968400000000 ] - [ 0.0010797300000000, -0.0004500200000000, 0.0013387400000000 ] - [ -0.0009014300000000, 0.0009781900000000, 0.0015982700000000 ] - [ 0.0009808600000000, 0.0024862600000000, 0.0033247900000000 ] - [ 0.0004835200000000, 0.0003714300000000, 0.0004411500000000 ] - [ 0.0002118300000000, 0.0002683800000000, 0.0004376000000000 ] - [ -0.0004565300000000, 0.0008517500000000, -0.0024335300000000 ] - [ -0.0007346500000000, -0.0017238900000000, -0.0045142900000000 ] - [ 0.0027343500000000, -0.0026808500000000, -0.0039486800000000 ] - [ -0.0028451900000000, -0.0004977600000000, 0.0056737500000000 ] - [ 0.0584647100000000, -0.0531146200000000, 0.0760714200000000 ] - [ -0.0048025700000000, 0.0003433200000000, -0.0008044600000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007590700000000, 0.0006592400000000, 0.0033800600000000 ] - [ 0.0001510900000000, -0.0000806800000000, 0.0018624900000000 ] - [ 0.0027797100000000, -0.0042078000000000, 0.0045811700000000 ] - [ 0.0343978900000000, -0.0387954900000000, -0.0419607800000000 ] - [ 0.0014737900000000, 0.0041815500000000, -0.0054365000000000 ] - [ -0.0002358200000000, 0.0044139600000000, 0.0009957400000000 ] - [ 0.0002487100000000, 0.0002482100000000, 0.0009667300000000 ] - [ 0.0004655600000000, 0.0003636200000000, -0.0031547400000000 ] - [ 0.0000732700000000, 0.0005071500000000, 0.0024845100000000 ] - [ 0.0003558500000000, -0.0001395700000000, 0.0017236800000000 ] - [ -0.0028983500000000, -0.0019659500000000, 0.0011042100000000 ] - [ 0.0003836000000000, 0.0003017900000000, -0.0003338300000000 ] - [ -0.0007375500000000, -0.0000471300000000, -0.0014105700000000 ] - [ 0.0003945900000000, -0.0003726100000000, -0.0013022800000000 ] - [ -0.0007803600000000, -0.0008971300000000, -0.0083149400000000 ] - [ -0.0007116100000000, -0.0004192700000000, 0.0009958800000000 ] - [ 0.0000212600000000, 0.0000158400000000, -0.0017273900000000 ] - [ -0.0001280400000000, 0.0001318000000000, -0.0004714800000000 ] - [ -0.0021300200000000, 0.0001596200000000, -0.0023471000000000 ] - [ 0.0015556000000000, 0.0010506900000000, -0.0029608400000000 ] - [ 0.0006459200000000, 0.0005517500000000, -0.0024457600000000 ] - [ 0.0000684200000000, -0.0012948200000000, -0.0018193500000000 ] - [ 0.0105895800000000, -0.0040149000000000, -0.0052456900000000 ] - [ 0.0007084800000000, -0.0017450700000000, 0.0000927000000000 ] - [ -0.0071145700000000, 0.0202759200000000, -0.0106857300000000 ] - [ -0.0021120300000000, 0.0020914100000000, 0.0006913700000000 ] - [ -0.0141449700000000, 0.0009646600000000, 0.0005192000000000 ] - [ -0.0004911300000000, -0.0079743300000000, 0.0012883400000000 ] - [ 0.0342886200000000, -0.0214455200000000, 0.1339795700000000 ] - [ 0.0005105000000000, 0.0006814900000000, 0.0037259300000000 ] - [ 0.0084309500000000, -0.0113308700000000, 0.0048645600000000 ] - [ 0.0003698600000000, -0.0009436100000000, 0.0021707400000000 ] - [ -0.0019374800000000, -0.0000867900000000, 0.0021446000000000 ] - [ -0.0067995800000000, 0.0043953700000000, 0.0018030300000000 ] - [ -0.0036117000000000, -0.0002384600000000, -0.0019128500000000 ] - [ -0.0002538900000000, 0.0009744300000000, -0.0009565600000000 ] - [ 0.0002725800000000, 0.0004462600000000, -0.0010030400000000 ] - [ -0.0003588300000000, -0.0039058500000000, -0.0027232100000000 ] - [ -0.0002437400000000, -0.0003457500000000, -0.0016911500000000 ] - [ -0.0004420700000000, -0.0002871200000000, -0.0016910400000000 ] - [ 0.0003324500000000, -0.0003280400000000, 0.0025009100000000 ] - [ 0.0008524700000000, 0.0011914900000000, 0.0045773000000000 ] - [ -0.0027351300000000, 0.0026835700000000, 0.0039503500000000 ] - [ 0.0033761900000000, 0.0006072700000000, -0.0057416700000000 ] - [ -0.0604476000000000, 0.0542949300000000, -0.0758922700000000 ] - [ 0.0048084400000000, -0.0003252500000000, 0.0008257600000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0036058400000000, -0.0004773500000000, 0.0011897500000000 ] - [ -0.0014124100000000, -0.0001706700000000, -0.0002080500000000 ] - [ 0.0053935600000000, -0.0034148200000000, 0.0018393700000000 ] - [ -0.0054719400000000, 0.0035132300000000, 0.0021668900000000 ] - [ -0.0002244600000000, -0.0044511600000000, -0.0003782800000000 ] - [ 0.0402178100000000, 0.0383882200000000, 0.0296218900000000 ] - [ 0.0026064800000000, -0.0004733800000000, 0.0012902900000000 ] - [ -0.0007361900000000, -0.0000128300000000, -0.0001568600000000 ] - [ 0.0003573900000000, 0.0003272200000000, -0.0003633200000000 ] - [ 0.0000127300000000, -0.0004654400000000, 0.0007541900000000 ] - [ -0.0024072400000000, -0.0005108000000000, -0.0001571000000000 ] - [ 0.0004752300000000, 0.0005454300000000, -0.0007057300000000 ] - [ 0.0118384900000000, 0.0003273500000000, -0.0015336900000000 ] - [ -0.0011635200000000, -0.0001911700000000, -0.0003622700000000 ] - [ -0.0006784800000000, 0.0015614900000000, -0.0018881800000000 ] - [ 0.0007134900000000, 0.0006528800000000, 0.0005353500000000 ] - [ 0.0026616500000000, -0.0006931600000000, 0.0008616800000000 ] - [ 0.0008597000000000, -0.0006086600000000, -0.0002564000000000 ] - [ -0.0030215100000000, -0.0001742300000000, -0.0015454700000000 ] - [ 0.0005388700000000, 0.0021304300000000, 0.0007420500000000 ] - [ 0.0012699000000000, 0.0004486800000000, -0.0000876500000000 ] - [ 0.0006274000000000, -0.0000923800000000, 0.0000662100000000 ] - [ 0.0026240400000000, -0.0003723800000000, -0.0015967100000000 ] - [ 0.0011029700000000, 0.0001093200000000, 0.0003222100000000 ] - [ -0.0002785500000000, -0.0005212700000000, -0.0147759000000000 ] - [ -0.0032387800000000, 0.0002717300000000, -0.0001449500000000 ] - [ -0.0045983400000000, 0.0100470900000000, 0.0097130100000000 ] - [ -0.0003699900000000, -0.0014224900000000, -0.0019031100000000 ] - [ 0.0102639500000000, -0.0207465800000000, -0.0085671100000000 ] - [ -0.0027460500000000, 0.0014139600000000, 0.0002614100000000 ] - [ -0.1320601000000000, 0.0105245200000000, 0.0403483200000000 ] - [ -0.0013196700000000, 0.0087704400000000, -0.0012633900000000 ] - [ 0.0029348700000000, 0.0040779300000000, -0.0007880800000000 ] - [ 0.0036005800000000, -0.0007671900000000, 0.0008532600000000 ] - [ 0.0015032000000000, -0.0002192000000000, 0.0000015100000000 ] - [ 0.0014464000000000, 0.0006106900000000, -0.0002149100000000 ] - [ -0.0025626100000000, -0.0037433900000000, -0.0058262700000000 ] - [ 0.0056555400000000, 0.0037677800000000, 0.0110214200000000 ] - [ 0.0019996700000000, -0.0001853900000000, -0.0037979800000000 ] - [ 0.0021841600000000, 0.0012872900000000, -0.0003426500000000 ] - [ -0.0003824300000000, 0.0005832500000000, 0.0046384000000000 ] - [ -0.0042665200000000, -0.0023635400000000, -0.0030073700000000 ] - [ -0.0024443800000000, 0.0005134100000000, 0.0004004300000000 ] - [ 0.0055636200000000, -0.0009229800000000, 0.0029911100000000 ] - [ 0.0711481100000000, -0.0452124300000000, -0.0607105200000000 ] - [ -0.0046108200000000, -0.0016594700000000, 0.0009632000000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0028252800000000, 0.0006812900000000, -0.0012417500000000 ] - [ 0.0021908600000000, -0.0000285900000000, 0.0001614000000000 ] - [ -0.0053938600000000, 0.0034248600000000, -0.0018614800000000 ] - [ 0.0052764000000000, -0.0043035300000000, -0.0021193400000000 ] - [ 0.0003896900000000, 0.0052048800000000, 0.0004546700000000 ] - [ -0.0405800300000000, -0.0377526800000000, -0.0290856500000000 ] - [ -0.0026137500000000, 0.0004780800000000, -0.0006389100000000 ] - [ 0.0007348700000000, 0.0000151600000000, -0.0005014900000000 ] - [ -0.0006387700000000, 0.0000752800000000, 0.0012294800000000 ] - [ 0.0002661500000000, 0.0000675400000000, 0.0001259700000000 ] - [ 0.0020192600000000, 0.0002341400000000, -0.0007197200000000 ] - [ -0.0000813300000000, -0.0002748600000000, -0.0001726800000000 ] - [ -0.0137165400000000, -0.0003953600000000, 0.0004347400000000 ] - [ 0.0019654300000000, 0.0001974800000000, -0.0008686200000000 ] - [ 0.0007032500000000, -0.0023534100000000, 0.0031187800000000 ] - [ -0.0007275500000000, 0.0001475100000000, 0.0006976300000000 ] - [ -0.0026570400000000, 0.0005694300000000, -0.0001321200000000 ] - [ -0.0008576300000000, 0.0007338000000000, 0.0009826800000000 ] - [ 0.0017167200000000, -0.0009468100000000, 0.0018884500000000 ] - [ 0.0007652900000000, -0.0010090600000000, -0.0003928700000000 ] - [ -0.0008679100000000, -0.0003886600000000, 0.0004939000000000 ] - [ -0.0010229300000000, 0.0000322300000000, 0.0003371600000000 ] - [ -0.0026867100000000, 0.0007715500000000, 0.0011936900000000 ] - [ -0.0010325800000000, -0.0004963700000000, -0.0007241800000000 ] - [ 0.0013561900000000, -0.0007841200000000, 0.0143324700000000 ] - [ 0.0021161900000000, 0.0010294000000000, -0.0001927400000000 ] - [ 0.0045036800000000, -0.0100221700000000, -0.0104286700000000 ] - [ 0.0004862300000000, 0.0014165900000000, 0.0011744100000000 ] - [ -0.0102202200000000, 0.0207204400000000, 0.0097284900000000 ] - [ 0.0027710400000000, -0.0016469600000000, 0.0009688300000000 ] - [ 0.1323670200000000, -0.0105604100000000, -0.0402588200000000 ] - [ 0.0027224500000000, -0.0081127300000000, 0.0006477700000000 ] - [ -0.0034654800000000, -0.0032736900000000, 0.0003900500000000 ] - [ -0.0030684200000000, -0.0000529500000000, -0.0012434300000000 ] - [ -0.0023233500000000, -0.0003168100000000, 0.0003898700000000 ] - [ -0.0006224000000000, -0.0000805900000000, 0.0006069300000000 ] - [ 0.0019409400000000, 0.0051858800000000, 0.0064494400000000 ] - [ -0.0049950800000000, -0.0051634700000000, -0.0103089000000000 ] - [ -0.0017574100000000, 0.0002173400000000, 0.0025772100000000 ] - [ -0.0024210500000000, -0.0013083400000000, -0.0008953100000000 ] - [ 0.0002417000000000, -0.0000738500000000, -0.0045753800000000 ] - [ 0.0043833100000000, 0.0018327800000000, 0.0030652200000000 ] - [ 0.0024383900000000, -0.0005130800000000, -0.0004047700000000 ] - [ -0.0050344800000000, 0.0010575200000000, -0.0030569200000000 ] - [ -0.0720072200000000, 0.0441004500000000, 0.0593395000000000 ] - [ 0.0046114100000000, 0.0016648700000000, -0.0009649900000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003340300000000, 0.0029681800000000, -0.0002537200000000 ] - [ 0.0011043100000000, -0.0027355600000000, -0.0001547400000000 ] - [ -0.0017390300000000, 0.0036035300000000, 0.0001666400000000 ] - [ 0.0039792600000000, -0.0089835200000000, -0.0032814300000000 ] - [ -0.0045733700000000, -0.0098648600000000, 0.0024765800000000 ] - [ 0.0387497500000000, 0.0932796700000000, 0.0599830200000000 ] - [ -0.0005604700000000, -0.0006729600000000, -0.0000821300000000 ] - [ -0.0003309800000000, 0.0010196500000000, -0.0001754000000000 ] - [ -0.0005627200000000, 0.0017082200000000, -0.0025711400000000 ] - [ -0.0000077100000000, -0.0011555600000000, 0.0004100400000000 ] - [ 0.0003592100000000, 0.0011045700000000, -0.0012975800000000 ] - [ 0.0009860800000000, -0.0009782600000000, -0.0004837900000000 ] - [ 0.0006577400000000, 0.0041196600000000, 0.0003359000000000 ] - [ -0.0012876000000000, -0.0008019400000000, -0.0004764600000000 ] - [ 0.0020090700000000, 0.0002674500000000, 0.0037323700000000 ] - [ 0.0003843800000000, -0.0025737700000000, 0.0006486000000000 ] - [ 0.0009746900000000, -0.0015095500000000, 0.0014452600000000 ] - [ -0.0022147700000000, 0.0011167300000000, 0.0020198900000000 ] - [ -0.0004991400000000, -0.0032419500000000, 0.0027859800000000 ] - [ 0.0012213900000000, 0.0004979300000000, 0.0012498300000000 ] - [ 0.0007268200000000, -0.0007094800000000, 0.0015108000000000 ] - [ -0.0000581200000000, 0.0014882900000000, 0.0012111500000000 ] - [ -0.0018834000000000, 0.0010411600000000, 0.0020498400000000 ] - [ 0.0011977200000000, 0.0020749300000000, 0.0006303300000000 ] - [ 0.0006730500000000, -0.0092712200000000, 0.0003974600000000 ] - [ -0.0004887300000000, 0.0029156900000000, -0.0031865400000000 ] - [ 0.0056440100000000, 0.0137478700000000, 0.0203218200000000 ] - [ 0.0016882800000000, 0.0059483900000000, -0.0016735100000000 ] - [ -0.0234803000000000, 0.0190174000000000, 0.0115751500000000 ] - [ -0.0026963600000000, 0.0067559300000000, -0.0006245800000000 ] - [ 0.0075448700000000, -0.2361326700000000, -0.1921927300000000 ] - [ 0.0092408800000000, 0.0203014400000000, -0.0038953600000000 ] - [ 0.0030078000000000, 0.0025883600000000, -0.0020732700000000 ] - [ -0.0005635500000000, 0.0023506800000000, -0.0013086000000000 ] - [ -0.0005255700000000, -0.0010843800000000, -0.0010297600000000 ] - [ 0.0000082800000000, 0.0023265100000000, -0.0011250500000000 ] - [ -0.0054127800000000, 0.0060658700000000, 0.0146801000000000 ] - [ 0.0053811300000000, -0.0029976200000000, 0.0053703500000000 ] - [ -0.0018386700000000, -0.0028311700000000, 0.0000355400000000 ] - [ 0.0007362400000000, 0.0009548300000000, -0.0000494600000000 ] - [ 0.0058501300000000, 0.0053452700000000, -0.0072751100000000 ] - [ -0.0024609600000000, -0.0008494500000000, -0.0031110100000000 ] - [ -0.0005863200000000, -0.0012800400000000, -0.0021950300000000 ] - [ 0.0037673200000000, -0.0132488600000000, 0.0089498500000000 ] - [ -0.0429901500000000, 0.1000742800000000, 0.0831368400000000 ] - [ -0.0007977000000000, -0.0017596500000000, 0.0033930800000000 ]- atom: 31 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004405400000000, -0.0027779900000000, 0.0001947200000000 ] - [ -0.0003147100000000, 0.0025426400000000, 0.0000978300000000 ] - [ 0.0016991800000000, -0.0035293000000000, -0.0002022900000000 ] - [ -0.0041715600000000, 0.0081882800000000, 0.0033433500000000 ] - [ 0.0047902300000000, 0.0106484700000000, -0.0024039500000000 ] - [ -0.0365089900000000, -0.0900668700000000, -0.0563975000000000 ] - [ 0.0005602000000000, 0.0006669000000000, 0.0007705100000000 ] - [ 0.0003329300000000, -0.0010149700000000, -0.0005121300000000 ] - [ 0.0002775100000000, -0.0013144400000000, 0.0034460300000000 ] - [ 0.0002871800000000, 0.0007614900000000, 0.0004680500000000 ] - [ -0.0007354800000000, -0.0013937200000000, 0.0004248500000000 ] - [ -0.0005817400000000, 0.0012595600000000, -0.0003904100000000 ] - [ -0.0013961400000000, -0.0041160100000000, -0.0015530300000000 ] - [ 0.0020811200000000, 0.0008213200000000, -0.0007489600000000 ] - [ -0.0019905400000000, -0.0010875400000000, -0.0025142900000000 ] - [ -0.0003930800000000, 0.0033721900000000, 0.0005602400000000 ] - [ -0.0009809300000000, 0.0013974500000000, -0.0007320100000000 ] - [ 0.0022007900000000, -0.0010024900000000, -0.0013009000000000 ] - [ -0.0007932800000000, 0.0020993100000000, -0.0024311100000000 ] - [ 0.0000867800000000, 0.0006054200000000, -0.0009148500000000 ] - [ -0.0003237900000000, 0.0007758000000000, -0.0011195300000000 ] - [ -0.0003473100000000, -0.0015498800000000, -0.0008188900000000 ] - [ 0.0018260200000000, -0.0006252700000000, -0.0024529000000000 ] - [ -0.0011441900000000, -0.0024748900000000, -0.0010282100000000 ] - [ 0.0003732000000000, 0.0079856700000000, -0.0005676700000000 ] - [ -0.0006449100000000, -0.0016246300000000, 0.0028182500000000 ] - [ -0.0058193900000000, -0.0138191500000000, -0.0213271200000000 ] - [ -0.0015688100000000, -0.0059338400000000, 0.0009458600000000 ] - [ 0.0237672100000000, -0.0189033500000000, -0.0104389300000000 ] - [ 0.0027081000000000, -0.0069840300000000, 0.0018670700000000 ] - [ -0.0135173000000000, 0.2336291800000000, 0.1919203300000000 ] - [ -0.0076532600000000, -0.0194527300000000, 0.0032882000000000 ] - [ -0.0035520300000000, -0.0017729700000000, 0.0016964800000000 ] - [ 0.0011053100000000, -0.0031596200000000, 0.0009344500000000 ] - [ -0.0002860300000000, 0.0005594200000000, 0.0014149100000000 ] - [ 0.0008024600000000, -0.0017943400000000, 0.0015097000000000 ] - [ 0.0047448300000000, -0.0045951800000000, -0.0139337500000000 ] - [ -0.0047751600000000, 0.0015198100000000, -0.0048062100000000 ] - [ 0.0020730500000000, 0.0028440800000000, -0.0012876200000000 ] - [ -0.0009819500000000, -0.0009850200000000, -0.0012063000000000 ] - [ -0.0059575200000000, -0.0047927000000000, 0.0072928400000000 ] - [ 0.0026032400000000, 0.0003427000000000, 0.0031627100000000 ] - [ 0.0005912700000000, 0.0012767200000000, 0.0021989300000000 ] - [ -0.0032279400000000, 0.0133493300000000, -0.0089302000000000 ] - [ 0.0443998500000000, -0.1016284200000000, -0.0869331300000000 ] - [ 0.0007961100000000, 0.0017535900000000, -0.0034034300000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005501000000000, 0.0029358600000000, -0.0021283900000000 ] - [ 0.0011323800000000, -0.0023520600000000, -0.0010252900000000 ] - [ -0.0035943300000000, 0.0086403600000000, -0.0111216900000000 ] - [ 0.0025369900000000, -0.0035831900000000, -0.0003033800000000 ] - [ -0.0059579800000000, -0.0067098800000000, 0.0064647900000000 ] - [ 0.0288583800000000, 0.0576109600000000, 0.0647187800000000 ] - [ 0.0000198200000000, -0.0004811700000000, -0.0001845300000000 ] - [ 0.0000393700000000, -0.0000605500000000, 0.0014515400000000 ] - [ -0.0010559000000000, 0.0008336900000000, -0.0037774000000000 ] - [ 0.0001791300000000, -0.0004019900000000, -0.0003278500000000 ] - [ 0.0031675000000000, -0.0002729300000000, -0.0016705500000000 ] - [ -0.0003088400000000, -0.0000845000000000, -0.0015028900000000 ] - [ -0.0006464300000000, 0.0010575300000000, 0.0035996800000000 ] - [ 0.0000343000000000, -0.0005560100000000, 0.0005652700000000 ] - [ -0.0029912600000000, 0.0032046800000000, 0.0004579000000000 ] - [ 0.0000051200000000, -0.0010984600000000, 0.0012131900000000 ] - [ 0.0004595500000000, -0.0013566200000000, 0.0040813400000000 ] - [ -0.0016651600000000, 0.0011978100000000, 0.0033566200000000 ] - [ 0.0017407800000000, -0.0027285000000000, 0.0067759800000000 ] - [ -0.0003398800000000, 0.0001382100000000, 0.0055329700000000 ] - [ 0.0007211400000000, -0.0009663600000000, 0.0023001600000000 ] - [ -0.0001042200000000, 0.0011565800000000, 0.0016901500000000 ] - [ -0.0010856300000000, 0.0010219200000000, 0.0007185400000000 ] - [ 0.0021193500000000, 0.0012698500000000, 0.0007035900000000 ] - [ -0.0141672100000000, -0.0009474000000000, 0.0219378300000000 ] - [ -0.0006415100000000, -0.0023991400000000, 0.0002862800000000 ] - [ 0.0065863900000000, 0.0222390800000000, 0.0131142600000000 ] - [ -0.0003442200000000, 0.0013783000000000, -0.0008706000000000 ] - [ -0.0060761400000000, 0.0059748700000000, -0.0044841700000000 ] - [ -0.0004691500000000, 0.0025897400000000, -0.0018280800000000 ] - [ 0.0368730100000000, -0.1909077000000000, -0.2574607500000000 ] - [ 0.0016606300000000, 0.0038541900000000, -0.0069493200000000 ] - [ 0.0008467400000000, 0.0001650400000000, -0.0033399600000000 ] - [ -0.0008887900000000, 0.0002796200000000, -0.0015954500000000 ] - [ -0.0003263000000000, -0.0014057000000000, -0.0004856400000000 ] - [ -0.0000238100000000, 0.0013975000000000, -0.0006073900000000 ] - [ -0.0054240100000000, 0.0114560900000000, 0.0134001300000000 ] - [ 0.0146864100000000, 0.0054390800000000, 0.0133829300000000 ] - [ -0.0028629000000000, -0.0012783700000000, 0.0023868600000000 ] - [ 0.0015733100000000, 0.0022986600000000, 0.0006567400000000 ] - [ 0.0046317200000000, 0.0032489500000000, -0.0119000400000000 ] - [ -0.0035297400000000, -0.0033091100000000, -0.0097367900000000 ] - [ -0.0008339900000000, -0.0004558200000000, -0.0028598100000000 ] - [ 0.0027420600000000, -0.0014650800000000, 0.0049274600000000 ] - [ -0.0582311500000000, 0.0832902700000000, 0.1479376600000000 ] - [ 0.0004044000000000, 0.0001417400000000, 0.0024993300000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013293600000000, -0.0027225700000000, 0.0020771100000000 ] - [ -0.0003470900000000, 0.0021454000000000, 0.0009735600000000 ] - [ 0.0036110300000000, -0.0087002200000000, 0.0111333800000000 ] - [ -0.0027048600000000, 0.0027828300000000, 0.0003383400000000 ] - [ 0.0061677000000000, 0.0075050700000000, -0.0064493500000000 ] - [ -0.0275156000000000, -0.0548993700000000, -0.0635039100000000 ] - [ -0.0000141100000000, 0.0004822000000000, 0.0008823300000000 ] - [ -0.0000367100000000, 0.0000566800000000, -0.0021409300000000 ] - [ 0.0007816000000000, -0.0004297900000000, 0.0046576200000000 ] - [ 0.0000995400000000, 0.0000019500000000, 0.0011958200000000 ] - [ -0.0035798500000000, -0.0000025500000000, 0.0007881100000000 ] - [ 0.0007091300000000, 0.0003631200000000, 0.0006212600000000 ] - [ -0.0001073200000000, -0.0010671400000000, -0.0048486800000000 ] - [ 0.0007744200000000, 0.0005655600000000, -0.0017952300000000 ] - [ 0.0029990000000000, -0.0039958100000000, 0.0007977000000000 ] - [ -0.0000199300000000, 0.0018978700000000, 0.0000300100000000 ] - [ -0.0004432800000000, 0.0012351800000000, -0.0033724200000000 ] - [ 0.0016484000000000, -0.0010703500000000, -0.0026396300000000 ] - [ -0.0030554000000000, 0.0016106000000000, -0.0064390100000000 ] - [ 0.0016483000000000, 0.0009966500000000, -0.0052010300000000 ] - [ -0.0003230000000000, 0.0010232100000000, -0.0019033300000000 ] - [ -0.0003013900000000, -0.0012151300000000, -0.0012933800000000 ] - [ 0.0010089800000000, -0.0006167000000000, -0.0010932000000000 ] - [ -0.0020697300000000, -0.0016749900000000, -0.0010928700000000 ] - [ 0.0155945600000000, -0.0003888700000000, -0.0225761500000000 ] - [ -0.0004897900000000, 0.0037245000000000, -0.0005981400000000 ] - [ -0.0067942900000000, -0.0225757100000000, -0.0139940000000000 ] - [ 0.0004617100000000, -0.0013659400000000, 0.0001876100000000 ] - [ 0.0059557400000000, -0.0056263200000000, 0.0058607000000000 ] - [ 0.0005070600000000, -0.0028426900000000, 0.0030986300000000 ] - [ -0.0437634200000000, 0.1932352900000000, 0.2614418200000000 ] - [ -0.0002672600000000, -0.0033365600000000, 0.0063415300000000 ] - [ -0.0013688900000000, 0.0006594100000000, 0.0029600600000000 ] - [ 0.0014057700000000, -0.0010887200000000, 0.0012060400000000 ] - [ -0.0004885400000000, 0.0008693400000000, 0.0008558300000000 ] - [ 0.0008388200000000, -0.0008635700000000, 0.0009808500000000 ] - [ 0.0047614200000000, -0.0098897400000000, -0.0127255100000000 ] - [ -0.0139344800000000, -0.0068192400000000, -0.0127434600000000 ] - [ 0.0030815000000000, 0.0012970400000000, -0.0036414200000000 ] - [ -0.0017973500000000, -0.0023015800000000, -0.0019228900000000 ] - [ -0.0047290900000000, -0.0027403600000000, 0.0119309500000000 ] - [ 0.0036495100000000, 0.0027783000000000, 0.0097926600000000 ] - [ 0.0008467300000000, 0.0004557700000000, 0.0028519700000000 ] - [ -0.0022551100000000, 0.0016238700000000, -0.0050421700000000 ] - [ 0.0615859600000000, -0.0889366200000000, -0.1535104000000000 ] - [ -0.0004010100000000, -0.0001393000000000, -0.0024767900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0053662400000000, 0.0064448000000000, 0.0068046100000000 ] - [ 0.0003142700000000, -0.0026572500000000, 0.0031466000000000 ] - [ -0.0010063300000000, -0.0007136300000000, 0.0021329000000000 ] - [ -0.0112679100000000, 0.0031512500000000, -0.0092399000000000 ] - [ 0.0619705200000000, -0.0267277100000000, -0.0578228500000000 ] - [ -0.0019026000000000, -0.0011706800000000, -0.0029987100000000 ] - [ -0.0007909900000000, -0.0000973100000000, 0.0006430300000000 ] - [ 0.0012379200000000, -0.0003351700000000, -0.0003003900000000 ] - [ 0.0010388700000000, 0.0000599700000000, 0.0026009900000000 ] - [ -0.0007540700000000, -0.0002624800000000, 0.0006639100000000 ] - [ -0.0012012800000000, 0.0004953700000000, -0.0001315000000000 ] - [ 0.0012230800000000, 0.0005854000000000, 0.0002742900000000 ] - [ 0.0037554400000000, 0.0001612700000000, -0.0016575900000000 ] - [ -0.0002594800000000, -0.0023421600000000, -0.0009731900000000 ] - [ -0.0037939400000000, 0.0003150300000000, 0.0004305400000000 ] - [ -0.0000228600000000, 0.0034576500000000, -0.0028707600000000 ] - [ 0.0011642700000000, -0.0023228300000000, -0.0010865300000000 ] - [ -0.0014176900000000, 0.0010488400000000, -0.0004046400000000 ] - [ -0.0015102000000000, -0.0000253200000000, -0.0010180300000000 ] - [ 0.0021779600000000, 0.0004271200000000, -0.0009319200000000 ] - [ -0.0024726400000000, 0.0002673300000000, -0.0024355800000000 ] - [ -0.0007906900000000, 0.0005753800000000, -0.0012799600000000 ] - [ 0.0004405500000000, 0.0001244700000000, 0.0027668400000000 ] - [ -0.0061499800000000, -0.0008986200000000, -0.0030999300000000 ] - [ 0.0033588100000000, 0.0007282500000000, -0.0012054100000000 ] - [ 0.0004202000000000, -0.0011278500000000, -0.0024976000000000 ] - [ 0.0109518400000000, 0.0051890200000000, -0.0113383800000000 ] - [ 0.0056469600000000, 0.0011308300000000, 0.0000103000000000 ] - [ 0.0066980900000000, -0.0024539000000000, 0.0022973600000000 ] - [ 0.0141179400000000, -0.0153479600000000, -0.0064709200000000 ] - [ 0.0024839200000000, 0.0029736000000000, 0.0008022400000000 ] - [ 0.0040515100000000, -0.0005215000000000, 0.0008416800000000 ] - [ -0.2517279200000000, -0.0394552900000000, 0.1897761900000000 ] - [ 0.0246942100000000, 0.0137736700000000, 0.0007084000000000 ] - [ 0.0106233600000000, -0.0059405900000000, -0.0221154800000000 ] - [ -0.0048074900000000, 0.0060189100000000, -0.0052229000000000 ] - [ -0.0011450000000000, 0.0006655100000000, 0.0014504100000000 ] - [ 0.0023798100000000, -0.0010585200000000, 0.0014419800000000 ] - [ -0.0028323100000000, -0.0013968800000000, -0.0006024200000000 ] - [ 0.0007871300000000, 0.0009716500000000, -0.0013407100000000 ] - [ 0.0026250700000000, -0.0000955500000000, -0.0000009200000000 ] - [ -0.0029070700000000, 0.0006069100000000, 0.0002815600000000 ] - [ 0.0048039900000000, -0.0022160700000000, 0.0013566500000000 ] - [ -0.0088888100000000, 0.0042813100000000, 0.0036801600000000 ] - [ -0.0116370800000000, -0.0038106500000000, -0.0021628800000000 ] - [ 0.1449543700000000, 0.0575243800000000, -0.0829015500000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0061772600000000, -0.0062564900000000, -0.0068563700000000 ] - [ 0.0004464300000000, 0.0024315600000000, -0.0031650100000000 ] - [ 0.0010110700000000, 0.0007112600000000, -0.0021258700000000 ] - [ 0.0110755200000000, -0.0039518300000000, 0.0093446500000000 ] - [ -0.0607628300000000, 0.0263279600000000, 0.0552843400000000 ] - [ 0.0019075100000000, 0.0011691500000000, 0.0029860300000000 ] - [ 0.0007967000000000, 0.0000932800000000, 0.0000143800000000 ] - [ -0.0012389600000000, 0.0003340100000000, -0.0003521800000000 ] - [ -0.0013075100000000, 0.0003385100000000, -0.0017186900000000 ] - [ 0.0010254200000000, -0.0001331300000000, 0.0002187900000000 ] - [ 0.0007996100000000, -0.0007737200000000, -0.0007479300000000 ] - [ -0.0008164900000000, -0.0003224400000000, -0.0011521300000000 ] - [ -0.0045641200000000, -0.0002276800000000, 0.0004320700000000 ] - [ 0.0010488300000000, 0.0023627500000000, -0.0002585900000000 ] - [ 0.0038082500000000, -0.0011198400000000, 0.0007891700000000 ] - [ 0.0000371100000000, -0.0026542500000000, 0.0040946400000000 ] - [ -0.0011561200000000, 0.0022061900000000, 0.0018158900000000 ] - [ 0.0014053400000000, -0.0009081800000000, 0.0011281400000000 ] - [ 0.0001953400000000, -0.0010896900000000, 0.0013554400000000 ] - [ -0.0008673200000000, 0.0006894900000000, 0.0012698000000000 ] - [ 0.0028821300000000, -0.0002178000000000, 0.0028532300000000 ] - [ 0.0004161000000000, -0.0006431300000000, 0.0016772800000000 ] - [ -0.0004791100000000, 0.0002721400000000, -0.0031843300000000 ] - [ 0.0062099400000000, 0.0005410200000000, 0.0028056300000000 ] - [ -0.0022371100000000, -0.0020269800000000, 0.0008563000000000 ] - [ -0.0015511500000000, 0.0024238400000000, 0.0021386500000000 ] - [ -0.0110345300000000, -0.0051631500000000, 0.0104770900000000 ] - [ -0.0055235500000000, -0.0011301100000000, -0.0007512800000000 ] - [ -0.0067209000000000, 0.0026996500000000, -0.0010664700000000 ] - [ -0.0140384800000000, 0.0149749900000000, 0.0076507700000000 ] - [ -0.0039181700000000, -0.0035786900000000, -0.0014082500000000 ] - [ -0.0026148600000000, 0.0011398700000000, -0.0014469700000000 ] - [ 0.2556763500000000, 0.0455532300000000, -0.1931572200000000 ] - [ -0.0245194700000000, -0.0149042100000000, -0.0010715400000000 ] - [ -0.0115726600000000, 0.0054751500000000, 0.0228090200000000 ] - [ 0.0057450600000000, -0.0053972000000000, 0.0055065600000000 ] - [ 0.0005064400000000, 0.0007684600000000, -0.0008331800000000 ] - [ -0.0017484100000000, -0.0003726700000000, -0.0008276000000000 ] - [ 0.0030705800000000, 0.0014184900000000, -0.0006448500000000 ] - [ -0.0010042800000000, -0.0009790400000000, 0.0000972900000000 ] - [ -0.0027254800000000, 0.0006146300000000, 0.0000624600000000 ] - [ 0.0030179700000000, -0.0011426900000000, -0.0002153200000000 ] - [ -0.0048647600000000, 0.0022544300000000, -0.0013938800000000 ] - [ 0.0094248900000000, -0.0041577700000000, -0.0037374000000000 ] - [ 0.0110989700000000, 0.0036647100000000, 0.0021191600000000 ] - [ -0.1501620100000000, -0.0613140500000000, 0.0883282600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000701500000000, -0.0004769000000000, -0.0042390300000000 ] - [ -0.0017129400000000, -0.0050085400000000, 0.0046388600000000 ] - [ 0.0001925900000000, -0.0018961500000000, 0.0000051100000000 ] - [ -0.0018977800000000, 0.0045542900000000, -0.0037140000000000 ] - [ -0.0272251100000000, 0.0394172600000000, 0.0372669200000000 ] - [ -0.0013072100000000, -0.0034306200000000, -0.0007016400000000 ] - [ -0.0005097900000000, 0.0025297400000000, -0.0005899000000000 ] - [ -0.0000315000000000, -0.0007135500000000, -0.0004924300000000 ] - [ -0.0000417100000000, 0.0006698000000000, 0.0011558600000000 ] - [ -0.0001526600000000, -0.0003223700000000, 0.0001759200000000 ] - [ 0.0000741500000000, 0.0001302100000000, -0.0000406700000000 ] - [ -0.0001157800000000, -0.0013287400000000, -0.0005603500000000 ] - [ 0.0004116300000000, 0.0138084800000000, -0.0000845300000000 ] - [ 0.0000841500000000, -0.0020661600000000, -0.0010681200000000 ] - [ 0.0002066200000000, 0.0004229000000000, 0.0007406600000000 ] - [ 0.0025595600000000, -0.0002691200000000, 0.0026456400000000 ] - [ -0.0005347600000000, 0.0010242300000000, 0.0005544700000000 ] - [ -0.0009352900000000, 0.0031885000000000, -0.0001864100000000 ] - [ -0.0002827200000000, 0.0004759200000000, 0.0003757900000000 ] - [ 0.0007924600000000, 0.0013883500000000, 0.0001042700000000 ] - [ 0.0003480900000000, -0.0024625400000000, 0.0015152600000000 ] - [ 0.0013614400000000, -0.0007683500000000, -0.0011400600000000 ] - [ -0.0001959000000000, -0.0024726800000000, -0.0004931600000000 ] - [ 0.0010440300000000, -0.0018166500000000, 0.0080626500000000 ] - [ 0.0013226800000000, 0.0002409400000000, -0.0008395700000000 ] - [ -0.0007168900000000, 0.0028494100000000, 0.0010463600000000 ] - [ 0.0063073000000000, -0.0017437700000000, -0.0054711400000000 ] - [ -0.0006196600000000, 0.0001179800000000, 0.0011947100000000 ] - [ 0.0020417300000000, -0.0025380500000000, 0.0011293300000000 ] - [ -0.0108021200000000, 0.0050971200000000, 0.0054283800000000 ] - [ 0.0029689700000000, 0.0018621400000000, -0.0005585700000000 ] - [ 0.0003588300000000, 0.0030741100000000, -0.0009932600000000 ] - [ -0.0423222100000000, -0.1320598200000000, 0.0111655300000000 ] - [ 0.0145595700000000, -0.0022655800000000, -0.0000400500000000 ] - [ -0.0093286400000000, -0.0055523800000000, 0.0100543000000000 ] - [ 0.0092991700000000, 0.0113102400000000, -0.0203600800000000 ] - [ -0.0001981500000000, 0.0026251800000000, 0.0003936200000000 ] - [ 0.0007179200000000, 0.0003194000000000, 0.0007428700000000 ] - [ 0.0006004300000000, 0.0028338300000000, 0.0025852800000000 ] - [ 0.0014203700000000, 0.0027514000000000, -0.0012983800000000 ] - [ -0.0010083100000000, -0.0040473500000000, -0.0015036200000000 ] - [ -0.0004390300000000, -0.0026252000000000, 0.0005278200000000 ] - [ -0.0026280100000000, 0.0056410700000000, -0.0010252800000000 ] - [ 0.0028001100000000, -0.0046494200000000, -0.0021078200000000 ] - [ -0.0054826200000000, -0.0000245100000000, 0.0004770300000000 ] - [ 0.0590871200000000, 0.0722059600000000, -0.0444785500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006800900000000, 0.0007152300000000, 0.0042102400000000 ] - [ 0.0025001800000000, 0.0048070800000000, -0.0046869400000000 ] - [ -0.0001932300000000, 0.0018976600000000, -0.0000055800000000 ] - [ 0.0016761900000000, -0.0053314400000000, 0.0037572100000000 ] - [ 0.0278628300000000, -0.0382350500000000, -0.0377626800000000 ] - [ 0.0012986200000000, 0.0034311500000000, 0.0006998700000000 ] - [ 0.0005047900000000, -0.0025231000000000, 0.0012707000000000 ] - [ 0.0000324800000000, 0.0007155800000000, -0.0001971100000000 ] - [ -0.0002384500000000, -0.0002670600000000, -0.0002819500000000 ] - [ 0.0004330200000000, -0.0000775400000000, 0.0006995500000000 ] - [ -0.0004691400000000, -0.0004069800000000, -0.0008294800000000 ] - [ 0.0005155400000000, 0.0016009800000000, -0.0003111400000000 ] - [ -0.0011108400000000, -0.0127150300000000, -0.0010693500000000 ] - [ 0.0007212900000000, 0.0020731000000000, -0.0001625000000000 ] - [ -0.0002032000000000, -0.0012185000000000, 0.0004876300000000 ] - [ -0.0025769500000000, 0.0010561900000000, -0.0014224200000000 ] - [ 0.0005439800000000, -0.0011529800000000, 0.0001452000000000 ] - [ 0.0009288700000000, -0.0030716400000000, 0.0008982500000000 ] - [ -0.0010206800000000, -0.0016052400000000, -0.0000395100000000 ] - [ 0.0005151200000000, -0.0002703400000000, 0.0002261800000000 ] - [ 0.0000516500000000, 0.0025244900000000, -0.0011298900000000 ] - [ -0.0017697600000000, 0.0007143200000000, 0.0015419900000000 ] - [ 0.0001366700000000, 0.0028786800000000, 0.0001095400000000 ] - [ -0.0009873700000000, 0.0014410200000000, -0.0084856200000000 ] - [ -0.0001994300000000, -0.0015505000000000, 0.0005044600000000 ] - [ -0.0004154600000000, -0.0015447300000000, -0.0013840800000000 ] - [ -0.0064154800000000, 0.0017285500000000, 0.0047386700000000 ] - [ 0.0007468400000000, -0.0001065900000000, -0.0019014400000000 ] - [ -0.0020584500000000, 0.0027695400000000, 0.0001260700000000 ] - [ 0.0109240600000000, -0.0053547900000000, -0.0042063000000000 ] - [ -0.0043810800000000, -0.0024960400000000, -0.0000513500000000 ] - [ 0.0010700900000000, -0.0024390600000000, 0.0003883700000000 ] - [ 0.0426328300000000, 0.1311110900000000, -0.0123000100000000 ] - [ -0.0141091700000000, 0.0015110000000000, -0.0003379400000000 ] - [ 0.0085348100000000, 0.0049944900000000, -0.0097126200000000 ] - [ -0.0085715300000000, -0.0108796700000000, 0.0210115400000000 ] - [ -0.0004339200000000, -0.0012050300000000, 0.0002182100000000 ] - [ -0.0000798200000000, -0.0017499000000000, -0.0001354200000000 ] - [ -0.0003728300000000, -0.0028153200000000, -0.0038260300000000 ] - [ -0.0016574400000000, -0.0027721600000000, 0.0000365400000000 ] - [ 0.0008831900000000, 0.0045719500000000, 0.0015433700000000 ] - [ 0.0005578700000000, 0.0021089300000000, -0.0004820300000000 ] - [ 0.0026268900000000, -0.0056450400000000, 0.0010127900000000 ] - [ -0.0022780700000000, 0.0047747800000000, 0.0020648600000000 ] - [ 0.0049630900000000, -0.0000802100000000, -0.0005061900000000 ] - [ -0.0604385100000000, -0.0719118800000000, 0.0455363300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0034680700000000, -0.0052733200000000, -0.0107994900000000 ] - [ 0.0030829400000000, 0.0033469000000000, -0.0092653800000000 ] - [ 0.0002614200000000, 0.0007124600000000, -0.0026487500000000 ] - [ -0.0000563300000000, -0.0022486500000000, 0.0035323800000000 ] - [ -0.0561231600000000, 0.0365122800000000, 0.0942472100000000 ] - [ 0.0001874900000000, 0.0001217700000000, 0.0028539600000000 ] - [ 0.0004691500000000, -0.0005215600000000, 0.0000588700000000 ] - [ 0.0000329500000000, -0.0000564400000000, 0.0010833200000000 ] - [ -0.0003913100000000, 0.0007239800000000, -0.0027595100000000 ] - [ 0.0001776800000000, -0.0003150500000000, -0.0004576900000000 ] - [ -0.0002021300000000, 0.0005273700000000, -0.0016533200000000 ] - [ 0.0004887000000000, -0.0021708700000000, -0.0016531300000000 ] - [ -0.0014144300000000, 0.0010674800000000, 0.0035863900000000 ] - [ 0.0011043500000000, 0.0004849300000000, 0.0008263800000000 ] - [ 0.0021552600000000, -0.0005204700000000, 0.0014979200000000 ] - [ -0.0033620000000000, 0.0024603900000000, 0.0011760700000000 ] - [ -0.0009829100000000, 0.0014244100000000, 0.0028839900000000 ] - [ 0.0011307200000000, -0.0003903300000000, 0.0034036000000000 ] - [ 0.0005487800000000, -0.0011016500000000, 0.0022695100000000 ] - [ -0.0005123400000000, 0.0007477200000000, 0.0017117000000000 ] - [ 0.0017037000000000, -0.0025359600000000, 0.0067968800000000 ] - [ 0.0011319600000000, 0.0013410000000000, 0.0060849200000000 ] - [ 0.0030312000000000, 0.0003584000000000, 0.0020662800000000 ] - [ 0.0031691300000000, 0.0081607100000000, 0.0178473600000000 ] - [ -0.0011821400000000, -0.0027785600000000, 0.0006850500000000 ] - [ -0.0012120500000000, 0.0016128400000000, 0.0008782500000000 ] - [ -0.0141619400000000, -0.0056630500000000, 0.0062055400000000 ] - [ -0.0010689500000000, 0.0004361300000000, -0.0002565500000000 ] - [ -0.0025530400000000, 0.0004233700000000, -0.0017188500000000 ] - [ -0.0056954000000000, 0.0054512200000000, -0.0013585200000000 ] - [ -0.0012971600000000, -0.0022028800000000, -0.0034546100000000 ] - [ -0.0003412500000000, 0.0014458100000000, -0.0017123200000000 ] - [ 0.1913313300000000, 0.0144601100000000, -0.2393161100000000 ] - [ -0.0005297300000000, -0.0005159100000000, -0.0093333100000000 ] - [ -0.0212479600000000, 0.0051242100000000, 0.0171678200000000 ] - [ -0.0095268900000000, -0.0223261300000000, 0.0171480700000000 ] - [ 0.0009059100000000, 0.0005107900000000, -0.0003629900000000 ] - [ -0.0010006100000000, -0.0002945400000000, -0.0004870500000000 ] - [ 0.0020463600000000, 0.0030404800000000, 0.0014877100000000 ] - [ -0.0024663400000000, -0.0018599900000000, 0.0005270800000000 ] - [ -0.0032911200000000, -0.0003459400000000, -0.0020177000000000 ] - [ 0.0025670400000000, -0.0009153900000000, -0.0011581400000000 ] - [ -0.0081857100000000, 0.0036694000000000, -0.0131490100000000 ] - [ 0.0034580200000000, -0.0027283500000000, -0.0009829500000000 ] - [ 0.0073372600000000, 0.0055823900000000, 0.0055803700000000 ] - [ -0.0860483300000000, -0.0449815000000000, 0.1029387500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0026969700000000, 0.0054560100000000, 0.0107419400000000 ] - [ -0.0022996400000000, -0.0035533300000000, 0.0092252700000000 ] - [ -0.0002612700000000, -0.0007208200000000, 0.0026441300000000 ] - [ -0.0001783200000000, 0.0015089700000000, -0.0035568500000000 ] - [ 0.0600347500000000, -0.0380431400000000, -0.0978376300000000 ] - [ -0.0001901900000000, -0.0001263600000000, -0.0028412500000000 ] - [ -0.0004712800000000, 0.0005208100000000, 0.0006344000000000 ] - [ -0.0000300000000000, 0.0000542300000000, -0.0017705600000000 ] - [ 0.0001058000000000, -0.0003274400000000, 0.0036425700000000 ] - [ 0.0001051200000000, -0.0000831700000000, 0.0013278000000000 ] - [ -0.0001966600000000, -0.0008115100000000, 0.0007759700000000 ] - [ -0.0000909700000000, 0.0024604800000000, 0.0007731200000000 ] - [ 0.0006178500000000, -0.0011416200000000, -0.0048366600000000 ] - [ -0.0003019300000000, -0.0004888600000000, -0.0020571300000000 ] - [ -0.0021450200000000, -0.0002731500000000, -0.0002602700000000 ] - [ 0.0033497800000000, -0.0016632200000000, 0.0000692900000000 ] - [ 0.0009849200000000, -0.0015320100000000, -0.0021649600000000 ] - [ -0.0011329400000000, 0.0005001500000000, -0.0026839300000000 ] - [ -0.0018566500000000, -0.0000219800000000, -0.0019350400000000 ] - [ 0.0018211600000000, 0.0003765500000000, -0.0013773500000000 ] - [ -0.0013081700000000, 0.0026046500000000, -0.0064066600000000 ] - [ -0.0015523700000000, -0.0014047200000000, -0.0056964300000000 ] - [ -0.0031272200000000, 0.0000433700000000, -0.0024473700000000 ] - [ -0.0031117300000000, -0.0087201400000000, -0.0184321100000000 ] - [ 0.0023171100000000, 0.0014773800000000, -0.0010140000000000 ] - [ 0.0000830400000000, -0.0002944000000000, -0.0012018600000000 ] - [ 0.0141916500000000, 0.0057037200000000, -0.0069965900000000 ] - [ 0.0011872400000000, -0.0004277100000000, -0.0004381500000000 ] - [ 0.0025520600000000, -0.0002007300000000, 0.0029758300000000 ] - [ 0.0056786000000000, -0.0056630300000000, 0.0026606300000000 ] - [ -0.0001252000000000, 0.0015691600000000, 0.0028516400000000 ] - [ 0.0017620800000000, -0.0007996300000000, 0.0010954000000000 ] - [ -0.1915913300000000, -0.0089935100000000, 0.2410528000000000 ] - [ 0.0012464400000000, -0.0002130400000000, 0.0089325900000000 ] - [ 0.0201248200000000, -0.0056002400000000, -0.0166713100000000 ] - [ 0.0102393500000000, 0.0225928700000000, -0.0166917200000000 ] - [ -0.0015372200000000, 0.0009039000000000, 0.0009743400000000 ] - [ 0.0016325900000000, -0.0011207800000000, 0.0010971600000000 ] - [ -0.0018036500000000, -0.0030073200000000, -0.0027329400000000 ] - [ 0.0022184500000000, 0.0018343400000000, -0.0017788000000000 ] - [ 0.0031607500000000, 0.0008686700000000, 0.0020675000000000 ] - [ -0.0024410900000000, 0.0003872700000000, 0.0012087700000000 ] - [ 0.0082510900000000, -0.0036808700000000, 0.0131817900000000 ] - [ -0.0029353700000000, 0.0028293200000000, 0.0009233200000000 ] - [ -0.0078929900000000, -0.0057213300000000, -0.0056598200000000 ] - [ 0.0822195700000000, 0.0429422300000000, -0.1013668700000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0234405800000000, 0.0228135500000000, -0.0063576000000000 ] - [ 0.0225650900000000, -0.0220657900000000, 0.0040141400000000 ] - [ 0.0235019500000000, 0.0053907100000000, 0.0234020800000000 ] - [ 0.0050548000000000, -0.0002533000000000, 0.0001517800000000 ] - [ -0.0070802700000000, -0.0000919100000000, 0.0000764900000000 ] - [ 0.0228384900000000, -0.0051546900000000, -0.0215606200000000 ] - [ -0.0002817800000000, -0.0002458400000000, 0.0011708900000000 ] - [ -0.0002097300000000, 0.0004330600000000, -0.0003791600000000 ] - [ -0.0056739900000000, -0.0068092000000000, -0.0000016100000000 ] - [ 0.0030959900000000, 0.0012298800000000, 0.0002870100000000 ] - [ 0.0027767200000000, -0.0003836100000000, -0.0017683500000000 ] - [ -0.0046530900000000, 0.0007001600000000, -0.0071235300000000 ] - [ -0.0050040100000000, -0.0007927400000000, 0.0045675400000000 ] - [ 0.0032675700000000, -0.0001661600000000, 0.0006764200000000 ] - [ 0.0028721800000000, -0.0016630200000000, 0.0005892700000000 ] - [ -0.0041300900000000, 0.0055225100000000, 0.0013741800000000 ] - [ -0.0126619500000000, 0.0015595200000000, 0.0021167900000000 ] - [ 0.0841512000000000, -0.0696853000000000, -0.0374654600000000 ] - [ 0.0979094600000000, -0.0492301200000000, 0.0777285100000000 ] - [ -0.0123934000000000, -0.0007461800000000, 0.0015150900000000 ] - [ 0.0003814200000000, -0.0049006000000000, 0.0065753500000000 ] - [ -0.0042624600000000, 0.0023327500000000, 0.0024912300000000 ] - [ -0.0030262800000000, 0.0005611700000000, 0.0019230200000000 ] - [ 0.0022559800000000, 0.0009280900000000, 0.0032181000000000 ] - [ -0.0039937700000000, 0.0017966900000000, -0.0030484600000000 ] - [ -0.0001305600000000, -0.0055046400000000, -0.0041496100000000 ] - [ 0.0025239700000000, 0.0037195700000000, -0.0017429200000000 ] - [ -0.0029631600000000, -0.0022828400000000, 0.0000913800000000 ] - [ -0.0029744500000000, 0.0024711500000000, 0.0002243800000000 ] - [ 0.0023317200000000, -0.0031045000000000, 0.0014072100000000 ] - [ -0.0010210900000000, 0.0055880700000000, 0.0043794700000000 ] - [ -0.0035780100000000, -0.0022244300000000, 0.0032843900000000 ] - [ 0.0024099100000000, -0.0005318700000000, -0.0034255200000000 ] - [ -0.0027044900000000, -0.0009168000000000, -0.0027030900000000 ] - [ -0.0051529100000000, -0.0044867900000000, -0.0025777000000000 ] - [ 0.0004305900000000, 0.0039949500000000, -0.0054562500000000 ] - [ 0.1012626800000000, 0.0463436500000000, -0.0875903300000000 ] - [ -0.0129990400000000, 0.0002726700000000, -0.0012171500000000 ] - [ 0.1168566800000000, 0.0892186300000000, 0.0517726600000000 ] - [ -0.0138016600000000, -0.0011959000000000, -0.0011693700000000 ] - [ -0.4435946300000000, -0.0130573600000000, -0.0053086100000000 ] - [ 0.0258097000000000, -0.0002732200000000, -0.0004625000000000 ] - [ 0.0021833400000000, -0.0010645800000000, -0.0050334100000000 ] - [ 0.0019954000000000, 0.0054977800000000, -0.0016950400000000 ] - [ 0.0013418200000000, -0.0054969400000000, 0.0013073400000000 ] - [ 0.0010335700000000, 0.0019537600000000, 0.0058915600000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0242070800000000, -0.0228818700000000, 0.0062546800000000 ] - [ -0.0217571600000000, 0.0221579500000000, -0.0040245500000000 ] - [ -0.0235104600000000, -0.0054403200000000, -0.0231122100000000 ] - [ -0.0052528500000000, -0.0005263300000000, -0.0001023700000000 ] - [ 0.0072776000000000, 0.0008717600000000, -0.0000304900000000 ] - [ -0.0228748000000000, 0.0051960600000000, 0.0212997800000000 ] - [ 0.0002684400000000, 0.0002447900000000, -0.0005200200000000 ] - [ 0.0002236700000000, -0.0004346800000000, -0.0002799400000000 ] - [ 0.0053843200000000, 0.0072159200000000, 0.0008783500000000 ] - [ -0.0028179200000000, -0.0016000600000000, 0.0006045400000000 ] - [ -0.0031743600000000, 0.0000945300000000, 0.0009125500000000 ] - [ 0.0050647700000000, -0.0004289200000000, 0.0062316100000000 ] - [ 0.0042255900000000, 0.0007802800000000, -0.0057907900000000 ] - [ -0.0024669400000000, 0.0001890300000000, -0.0019264900000000 ] - [ -0.0028608900000000, 0.0008435200000000, 0.0006272000000000 ] - [ 0.0040970900000000, -0.0047269600000000, -0.0001462200000000 ] - [ 0.0126815000000000, -0.0016303600000000, -0.0013996600000000 ] - [ -0.0848711200000000, 0.0723803000000000, 0.0397135300000000 ] - [ -0.0977601600000000, 0.0459082000000000, -0.0741365400000000 ] - [ 0.0136705900000000, 0.0018616300000000, -0.0012247800000000 ] - [ -0.0000079400000000, 0.0049683400000000, -0.0061651900000000 ] - [ 0.0038227500000000, -0.0024047500000000, -0.0020979100000000 ] - [ 0.0029551500000000, -0.0001541600000000, -0.0023274800000000 ] - [ -0.0022052500000000, -0.0013160800000000, -0.0036167400000000 ] - [ 0.0051631100000000, -0.0030939800000000, 0.0027028600000000 ] - [ -0.0009712600000000, 0.0068158900000000, 0.0037972000000000 ] - [ -0.0026401900000000, -0.0037286800000000, 0.0010208300000000 ] - [ 0.0030933500000000, 0.0022844600000000, -0.0008274700000000 ] - [ 0.0029585200000000, -0.0022318300000000, 0.0010132100000000 ] - [ -0.0022977400000000, 0.0028647400000000, -0.0001796000000000 ] - [ -0.0003810800000000, -0.0062268900000000, -0.0049879400000000 ] - [ 0.0050556100000000, 0.0028476700000000, -0.0039003100000000 ] - [ -0.0029488600000000, 0.0013461100000000, 0.0030339300000000 ] - [ 0.0032292700000000, 0.0000934200000000, 0.0023117100000000 ] - [ 0.0042841700000000, 0.0039438400000000, 0.0029736600000000 ] - [ 0.0003624300000000, -0.0034727600000000, 0.0058406800000000 ] - [ -0.1004472700000000, -0.0430125700000000, 0.0845993200000000 ] - [ 0.0136087100000000, -0.0016908100000000, 0.0018782900000000 ] - [ -0.1191267500000000, -0.0935892800000000, -0.0556693000000000 ] - [ 0.0136033100000000, 0.0011290400000000, -0.0000667200000000 ] - [ 0.4437940200000000, 0.0157242500000000, 0.0068856100000000 ] - [ -0.0256908900000000, -0.0002843800000000, 0.0005302100000000 ] - [ -0.0021547900000000, 0.0010507000000000, 0.0050399700000000 ] - [ -0.0014894200000000, -0.0053695500000000, 0.0016543400000000 ] - [ -0.0018929900000000, 0.0053709700000000, -0.0013768000000000 ] - [ -0.0010158200000000, -0.0019381800000000, -0.0058945200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0270063600000000, 0.0237321500000000, -0.0060306900000000 ] - [ -0.0318759500000000, 0.0218732300000000, -0.0083918800000000 ] - [ -0.0075576500000000, -0.0144630000000000, -0.0060376800000000 ] - [ -0.0003147100000000, 0.0017035700000000, 0.0001991000000000 ] - [ 0.0005901900000000, 0.0046258400000000, 0.0003845700000000 ] - [ 0.0070760900000000, -0.0108294500000000, -0.0045896200000000 ] - [ 0.0005154000000000, 0.0024959000000000, -0.0013759800000000 ] - [ 0.0002234400000000, -0.0043188400000000, -0.0005196800000000 ] - [ -0.0028887500000000, 0.0099645600000000, -0.0060487100000000 ] - [ -0.0005647300000000, -0.0002223400000000, 0.0006024300000000 ] - [ -0.0006575700000000, -0.0002685700000000, -0.0015861400000000 ] - [ 0.0013349600000000, 0.0006246800000000, 0.0105039500000000 ] - [ -0.0010235300000000, -0.0011457900000000, 0.0059745600000000 ] - [ 0.0004877200000000, -0.0008396700000000, -0.0011026000000000 ] - [ -0.0000718900000000, 0.0003955600000000, 0.0011111100000000 ] - [ 0.0034119600000000, 0.0096520800000000, -0.0048817000000000 ] - [ -0.0080906100000000, 0.0035729100000000, 0.0028190400000000 ] - [ -0.0722105000000000, 0.1469994400000000, 0.0643200700000000 ] - [ -0.0467727600000000, 0.0825408500000000, -0.0610451300000000 ] - [ 0.0041053300000000, 0.0062798800000000, -0.0017245500000000 ] - [ -0.0045338400000000, -0.0118225100000000, 0.0068967500000000 ] - [ 0.0032509300000000, -0.0086428800000000, -0.0024441600000000 ] - [ -0.0006317100000000, -0.0022990400000000, 0.0004767800000000 ] - [ 0.0005541600000000, -0.0054113200000000, -0.0013618900000000 ] - [ 0.0032517700000000, -0.0015874300000000, 0.0039577400000000 ] - [ -0.0020478000000000, 0.0064128800000000, 0.0018360700000000 ] - [ 0.0000582900000000, -0.0023279600000000, 0.0018207500000000 ] - [ -0.0001747300000000, -0.0009267000000000, 0.0000850800000000 ] - [ 0.0003671800000000, -0.0010543000000000, 0.0012157500000000 ] - [ -0.0001006900000000, -0.0018157300000000, 0.0020842900000000 ] - [ -0.0003792300000000, 0.0047363100000000, 0.0026831000000000 ] - [ -0.0013815100000000, -0.0002682000000000, 0.0027212900000000 ] - [ -0.0006209300000000, -0.0039117100000000, -0.0007914400000000 ] - [ 0.0011494600000000, -0.0027685500000000, 0.0004652700000000 ] - [ -0.0029417700000000, -0.0094554300000000, -0.0030082200000000 ] - [ 0.0056532200000000, -0.0111242500000000, 0.0078240600000000 ] - [ 0.0437807400000000, 0.0721900500000000, -0.0601629200000000 ] - [ -0.0031711300000000, 0.0045835600000000, -0.0021889800000000 ] - [ 0.0878213400000000, 0.1341493900000000, 0.0571655200000000 ] - [ 0.0080048000000000, 0.0064658000000000, 0.0024781700000000 ] - [ -0.0104526400000000, -0.4650635400000000, -0.0003845600000000 ] - [ 0.0000677400000000, -0.0105874900000000, 0.0052967200000000 ] - [ 0.0028870800000000, 0.0125087500000000, -0.0016609000000000 ] - [ 0.0005319600000000, 0.0016687600000000, -0.0025112500000000 ] - [ -0.0005199600000000, 0.0016935900000000, -0.0036333600000000 ] - [ -0.0031455200000000, 0.0122849900000000, -0.0014401400000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0280352400000000, -0.0235544000000000, 0.0059217700000000 ] - [ 0.0324144400000000, -0.0220240300000000, 0.0084254500000000 ] - [ 0.0075198000000000, 0.0144368300000000, 0.0059995600000000 ] - [ 0.0001092300000000, -0.0024854500000000, -0.0001515600000000 ] - [ -0.0003829600000000, -0.0038463300000000, -0.0003402300000000 ] - [ -0.0070937300000000, 0.0108421400000000, 0.0046078000000000 ] - [ -0.0005172700000000, -0.0024956800000000, 0.0020266100000000 ] - [ -0.0002539000000000, 0.0043198700000000, -0.0001389600000000 ] - [ 0.0026385900000000, -0.0096300600000000, 0.0070222400000000 ] - [ 0.0008510700000000, -0.0001875700000000, 0.0002827200000000 ] - [ 0.0002584800000000, 0.0000013700000000, 0.0007090100000000 ] - [ -0.0009548900000000, -0.0003695600000000, -0.0113487700000000 ] - [ 0.0002152600000000, 0.0011610200000000, -0.0072185000000000 ] - [ 0.0003128300000000, 0.0008387200000000, -0.0001309500000000 ] - [ 0.0000939100000000, -0.0011865400000000, 0.0001158900000000 ] - [ -0.0033861100000000, -0.0087789700000000, 0.0060325300000000 ] - [ 0.0080934500000000, -0.0037142500000000, -0.0020806500000000 ] - [ 0.0674185200000000, -0.1410923900000000, -0.0594179400000000 ] - [ 0.0469543900000000, -0.0840507300000000, 0.0633227500000000 ] - [ -0.0027860700000000, -0.0051395300000000, 0.0020653700000000 ] - [ 0.0049871400000000, 0.0119313500000000, -0.0065326400000000 ] - [ -0.0036653400000000, 0.0086373600000000, 0.0028424400000000 ] - [ 0.0005798700000000, 0.0027010100000000, -0.0008846500000000 ] - [ -0.0004886900000000, 0.0050274300000000, 0.0009535800000000 ] - [ -0.0021073100000000, 0.0002622400000000, -0.0042698800000000 ] - [ 0.0009147200000000, -0.0050800800000000, -0.0021822000000000 ] - [ -0.0001919900000000, 0.0023090200000000, -0.0025576900000000 ] - [ 0.0002978400000000, 0.0009420300000000, -0.0008133000000000 ] - [ -0.0003894700000000, 0.0012800800000000, 0.0000247800000000 ] - [ 0.0001178700000000, 0.0015884400000000, -0.0008394500000000 ] - [ -0.0010489500000000, -0.0053956000000000, -0.0033018300000000 ] - [ 0.0028271200000000, 0.0009190000000000, -0.0033621200000000 ] - [ 0.0000945200000000, 0.0047235900000000, 0.0004128700000000 ] - [ -0.0006052500000000, 0.0019498500000000, -0.0008469200000000 ] - [ 0.0021187300000000, 0.0088645400000000, 0.0033966800000000 ] - [ -0.0047777800000000, 0.0116092700000000, -0.0073963100000000 ] - [ -0.0435856400000000, -0.0709550400000000, 0.0595911900000000 ] - [ 0.0038184100000000, -0.0060283300000000, 0.0028035700000000 ] - [ -0.0926726900000000, -0.1381919600000000, -0.0617853300000000 ] - [ -0.0082345800000000, -0.0064646400000000, -0.0037290500000000 ] - [ 0.0182870300000000, 0.4644357100000000, -0.0011169300000000 ] - [ 0.0000536800000000, 0.0100507000000000, -0.0052392200000000 ] - [ -0.0029205500000000, -0.0125605700000000, 0.0016858000000000 ] - [ 0.0000058500000000, -0.0015700700000000, 0.0024665700000000 ] - [ 0.0000052500000000, -0.0017873100000000, 0.0035634600000000 ] - [ 0.0031104000000000, -0.0122424800000000, 0.0014124200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0057005300000000, 0.0064164900000000, -0.0112499300000000 ] - [ -0.0081363500000000, 0.0038789100000000, -0.0139443200000000 ] - [ 0.0300249300000000, 0.0070087700000000, 0.0220423400000000 ] - [ -0.0002604200000000, -0.0005526200000000, 0.0022183600000000 ] - [ 0.0001433800000000, 0.0000278700000000, 0.0042805800000000 ] - [ -0.0292248600000000, 0.0074084400000000, 0.0239494700000000 ] - [ 0.0010357700000000, 0.0003029500000000, -0.0039114000000000 ] - [ -0.0004799300000000, 0.0016220600000000, 0.0017167100000000 ] - [ -0.0015316500000000, -0.0097588700000000, 0.0012683600000000 ] - [ -0.0000624200000000, 0.0004681200000000, 0.0002784800000000 ] - [ 0.0002560700000000, -0.0005043200000000, -0.0008663200000000 ] - [ -0.0025023600000000, 0.0068638800000000, 0.0089984300000000 ] - [ 0.0030948300000000, 0.0050847100000000, 0.0087957500000000 ] - [ 0.0003832800000000, -0.0003588000000000, 0.0005380500000000 ] - [ 0.0001724900000000, 0.0004816000000000, -0.0001701000000000 ] - [ 0.0005358300000000, -0.0067474300000000, -0.0007953900000000 ] - [ -0.0040374600000000, 0.0012557600000000, 0.0057131600000000 ] - [ -0.0384211400000000, 0.0628977200000000, 0.0780507500000000 ] - [ 0.0766510800000000, -0.0644466900000000, 0.1334755800000000 ] - [ -0.0070828800000000, -0.0019851400000000, 0.0051613800000000 ] - [ 0.0014501100000000, -0.0028173700000000, 0.0053646600000000 ] - [ 0.0023482600000000, -0.0033133200000000, -0.0002628700000000 ] - [ 0.0003331400000000, -0.0002401000000000, -0.0011366900000000 ] - [ 0.0002277300000000, -0.0022805800000000, -0.0021529200000000 ] - [ -0.0022824800000000, 0.0021087900000000, -0.0084669800000000 ] - [ -0.0059530800000000, -0.0063557500000000, -0.0116762100000000 ] - [ -0.0007177200000000, 0.0011558900000000, -0.0053780900000000 ] - [ -0.0005751900000000, -0.0006026000000000, -0.0028812900000000 ] - [ 0.0007784500000000, -0.0005559500000000, -0.0018329700000000 ] - [ 0.0001785900000000, 0.0004846400000000, -0.0039171300000000 ] - [ 0.0038582900000000, -0.0075862800000000, -0.0121998800000000 ] - [ 0.0037645800000000, 0.0034572000000000, -0.0101017800000000 ] - [ -0.0002855100000000, -0.0011099600000000, -0.0022390900000000 ] - [ 0.0000092500000000, -0.0009135300000000, -0.0013803800000000 ] - [ -0.0025009000000000, -0.0039813700000000, -0.0007729900000000 ] - [ -0.0000826700000000, -0.0018822600000000, 0.0057958500000000 ] - [ -0.0826498900000000, -0.0574319400000000, 0.1481858800000000 ] - [ 0.0092568600000000, -0.0037535000000000, 0.0052788600000000 ] - [ 0.0523972200000000, 0.0591120200000000, 0.0753879900000000 ] - [ 0.0027879300000000, 0.0030966000000000, 0.0050584800000000 ] - [ -0.0102338900000000, 0.0005078600000000, -0.4638706300000000 ] - [ 0.0005666200000000, -0.0055410700000000, -0.0105864300000000 ] - [ -0.0002897500000000, 0.0031893600000000, 0.0013895200000000 ] - [ 0.0038902600000000, 0.0014297100000000, 0.0125090700000000 ] - [ -0.0027444900000000, 0.0015905500000000, 0.0124621900000000 ] - [ 0.0002095300000000, 0.0028695400000000, 0.0018738800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0064644600000000, -0.0062004000000000, 0.0111899800000000 ] - [ 0.0089604200000000, -0.0041139500000000, 0.0139230500000000 ] - [ -0.0297755800000000, -0.0070801800000000, -0.0220245600000000 ] - [ 0.0000672300000000, -0.0002296200000000, -0.0021694000000000 ] - [ 0.0000463500000000, 0.0007516200000000, -0.0042351100000000 ] - [ 0.0294667500000000, -0.0073345200000000, -0.0239971400000000 ] - [ -0.0010001800000000, -0.0003021500000000, 0.0045660800000000 ] - [ 0.0004834200000000, -0.0016218100000000, -0.0023796100000000 ] - [ 0.0012725300000000, 0.0101227100000000, -0.0004115800000000 ] - [ 0.0003395500000000, -0.0008596000000000, 0.0005915200000000 ] - [ -0.0006603400000000, 0.0002186700000000, -0.0000270200000000 ] - [ 0.0028714500000000, -0.0064904800000000, -0.0098198400000000 ] - [ -0.0039295200000000, -0.0051731100000000, -0.0100942000000000 ] - [ 0.0004035200000000, 0.0003800700000000, -0.0017573200000000 ] - [ -0.0001588600000000, -0.0012808700000000, 0.0014051000000000 ] - [ -0.0005392400000000, 0.0075611400000000, 0.0020544800000000 ] - [ 0.0040284300000000, -0.0013832900000000, -0.0049727500000000 ] - [ 0.0373296000000000, -0.0610187400000000, -0.0771551000000000 ] - [ -0.0734161200000000, 0.0595707500000000, -0.1289037600000000 ] - [ 0.0083875100000000, 0.0031128500000000, -0.0047991100000000 ] - [ -0.0010519900000000, 0.0028766600000000, -0.0049390900000000 ] - [ -0.0027676600000000, 0.0032781800000000, 0.0006789800000000 ] - [ -0.0004003300000000, 0.0006453700000000, 0.0007517900000000 ] - [ -0.0001565800000000, 0.0018784100000000, 0.0017699900000000 ] - [ 0.0034124100000000, -0.0034088300000000, 0.0081827100000000 ] - [ 0.0047689600000000, 0.0076170400000000, 0.0112858200000000 ] - [ 0.0005843500000000, -0.0011507100000000, 0.0046658100000000 ] - [ 0.0006893000000000, 0.0006010000000000, 0.0021620200000000 ] - [ -0.0008126200000000, 0.0007977500000000, 0.0030823500000000 ] - [ -0.0001590100000000, -0.0007280400000000, 0.0051552100000000 ] - [ -0.0053482000000000, 0.0069917600000000, 0.0116401700000000 ] - [ -0.0023154900000000, -0.0028275500000000, 0.0094362500000000 ] - [ -0.0002297600000000, 0.0019477100000000, 0.0018390800000000 ] - [ 0.0005143900000000, 0.0000851600000000, 0.0009803100000000 ] - [ 0.0016583800000000, 0.0034285200000000, 0.0011404200000000 ] - [ 0.0009138500000000, 0.0024063600000000, -0.0054364900000000 ] - [ 0.0874834000000000, 0.0626830500000000, -0.1532728500000000 ] - [ -0.0086334400000000, 0.0023031100000000, -0.0046974500000000 ] - [ -0.0533074900000000, -0.0604179300000000, -0.0765561900000000 ] - [ -0.0030361900000000, -0.0031159900000000, -0.0063327900000000 ] - [ 0.0019417300000000, -0.0004504000000000, 0.4651863500000000 ] - [ -0.0004476900000000, 0.0050099700000000, 0.0106449100000000 ] - [ 0.0002828800000000, -0.0032050400000000, -0.0014184200000000 ] - [ -0.0033224000000000, -0.0012785000000000, -0.0125174100000000 ] - [ 0.0022490600000000, -0.0017361400000000, -0.0125640700000000 ] - [ -0.0002223400000000, -0.0028600200000000, -0.0018511300000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0149618300000000, 0.0054703200000000, -0.0070245500000000 ] - [ -0.0142140900000000, 0.0053119100000000, 0.0070086500000000 ] - [ 0.0042533600000000, -0.0001407900000000, -0.0000040700000000 ] - [ 0.0233874800000000, 0.0072232000000000, -0.0296027600000000 ] - [ 0.0236205400000000, 0.0079314900000000, 0.0299208100000000 ] - [ 0.0021565100000000, -0.0000956600000000, 0.0000041400000000 ] - [ 0.0026757100000000, 0.0021363600000000, 0.0003428900000000 ] - [ -0.0053542400000000, 0.0006561100000000, -0.0003241500000000 ] - [ 0.0090990600000000, 0.0063142300000000, -0.0022114900000000 ] - [ 0.0093276600000000, 0.0058219900000000, 0.0030642400000000 ] - [ 0.0007219000000000, -0.0103148400000000, 0.0009182700000000 ] - [ 0.0011020900000000, -0.0100675800000000, -0.0017736400000000 ] - [ -0.0012098600000000, 0.0006248100000000, -0.0008408200000000 ] - [ -0.0003990100000000, 0.0006363600000000, -0.0003950800000000 ] - [ 0.0007150000000000, -0.0008475200000000, 0.0006211500000000 ] - [ 0.0006917500000000, -0.0000535800000000, 0.0005903300000000 ] - [ 0.0052241900000000, -0.0016697600000000, -0.0010308600000000 ] - [ 0.0052472400000000, -0.0015511100000000, 0.0017628100000000 ] - [ -0.0028478200000000, -0.0024660400000000, 0.0002530400000000 ] - [ -0.0015485500000000, -0.0013290600000000, 0.0000899300000000 ] - [ 0.0828571800000000, 0.0637216500000000, -0.0472469200000000 ] - [ 0.0821325800000000, 0.0617784900000000, 0.0462270000000000 ] - [ 0.1315320000000000, -0.0600827300000000, -0.0738982700000000 ] - [ 0.1361042100000000, -0.0643266800000000, 0.0781403600000000 ] - [ -0.0043327700000000, 0.0003130500000000, 0.0002297800000000 ] - [ -0.0054534300000000, 0.0016329200000000, -0.0005680900000000 ] - [ -0.0115038300000000, -0.0071120100000000, -0.0054139200000000 ] - [ -0.0113403000000000, -0.0070678200000000, 0.0046316700000000 ] - [ -0.0090044200000000, 0.0029187200000000, 0.0033528300000000 ] - [ -0.0089213900000000, 0.0026767800000000, -0.0021166600000000 ] - [ -0.0031487900000000, -0.0009110200000000, -0.0011561900000000 ] - [ -0.0017352300000000, -0.0002662100000000, 0.0005241900000000 ] - [ 0.0045783700000000, -0.0022175800000000, -0.0084109700000000 ] - [ 0.0050920800000000, -0.0030351600000000, 0.0080262200000000 ] - [ 0.0052301900000000, 0.0019674300000000, 0.0038606300000000 ] - [ 0.0060571700000000, 0.0025028600000000, -0.0034890800000000 ] - [ -0.0015912700000000, 0.0001924800000000, 0.0007661000000000 ] - [ -0.0009654000000000, -0.0012210800000000, -0.0001452100000000 ] - [ -0.0003999600000000, -0.0038144800000000, 0.0020578900000000 ] - [ -0.0006624600000000, -0.0038748900000000, -0.0033118500000000 ] - [ 0.0020940000000000, 0.0031558600000000, -0.0002723700000000 ] - [ 0.0022433900000000, 0.0026505700000000, 0.0003017400000000 ] - [ -0.4611486600000000, 0.0000457500000000, -0.0034526600000000 ] - [ 0.0127708300000000, 0.0011070000000000, -0.0031994900000000 ] - [ 0.0122995100000000, 0.0010083300000000, 0.0031949000000000 ] - [ -0.0104706400000000, -0.0053330800000000, -0.0000004700000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0057935900000000, -0.0232229500000000, 0.0220827700000000 ] - [ -0.0057935900000000, 0.0232229500000000, 0.0220827700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070745500000000 ] - [ -0.0237040100000000, -0.0065312200000000, 0.0221069600000000 ] - [ 0.0237040100000000, 0.0065312200000000, 0.0221069600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050146900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009865600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002867200000000 ] - [ -0.0070364100000000, 0.0001968100000000, -0.0047188100000000 ] - [ 0.0070364100000000, -0.0001968100000000, -0.0047188100000000 ] - [ -0.0002029900000000, 0.0067445600000000, -0.0056069600000000 ] - [ 0.0002029900000000, -0.0067445600000000, -0.0056069600000000 ] - [ -0.0004554400000000, 0.0012942000000000, 0.0021507900000000 ] - [ 0.0004554400000000, -0.0012942000000000, 0.0021507900000000 ] - [ 0.0012864100000000, -0.0003364600000000, 0.0033734700000000 ] - [ -0.0012864100000000, 0.0003364600000000, 0.0033734700000000 ] - [ -0.0058206300000000, 0.0036893000000000, 0.0013288600000000 ] - [ 0.0058206300000000, -0.0036893000000000, 0.0013288600000000 ] - [ 0.0025978800000000, 0.0006332000000000, 0.0025457900000000 ] - [ -0.0025978800000000, -0.0006332000000000, 0.0025457900000000 ] - [ -0.0460970600000000, -0.0749527400000000, 0.0965775100000000 ] - [ 0.0460970600000000, 0.0749527400000000, 0.0965775100000000 ] - [ -0.0782516600000000, 0.0486161900000000, 0.0975432500000000 ] - [ 0.0782516600000000, -0.0486161900000000, 0.0975432500000000 ] - [ 0.0017498800000000, -0.0039070100000000, 0.0022208200000000 ] - [ -0.0017498800000000, 0.0039070100000000, 0.0022208200000000 ] - [ -0.0038105100000000, -0.0058202000000000, 0.0006319900000000 ] - [ 0.0038105100000000, 0.0058202000000000, 0.0006319900000000 ] - [ 0.0035410000000000, -0.0022060600000000, -0.0033091000000000 ] - [ -0.0035410000000000, 0.0022060600000000, -0.0033091000000000 ] - [ -0.0003075000000000, -0.0025149700000000, -0.0031623000000000 ] - [ 0.0003075000000000, 0.0025149700000000, -0.0031623000000000 ] - [ 0.0010813200000000, -0.0006177000000000, -0.0133699800000000 ] - [ -0.0010813200000000, 0.0006177000000000, -0.0133699800000000 ] - [ -0.0014200900000000, -0.0016695100000000, -0.0129617100000000 ] - [ 0.0014200900000000, 0.0016695100000000, -0.0129617100000000 ] - [ 0.0018769100000000, 0.0011111200000000, -0.0025501500000000 ] - [ -0.0018769100000000, -0.0011111200000000, -0.0025501500000000 ] - [ 0.0024396500000000, 0.0035700100000000, -0.0045909400000000 ] - [ -0.0024396500000000, -0.0035700100000000, -0.0045909400000000 ] - [ -0.0050944300000000, -0.0014193500000000, 0.0014368900000000 ] - [ 0.0050944300000000, 0.0014193500000000, 0.0014368900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4309038600000000 ] - [ 0.0019261900000000, -0.0049777800000000, 0.0013716000000000 ] - [ -0.0019261900000000, 0.0049777800000000, 0.0013716000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0254889900000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0110214100000000, -0.0050636900000000, -0.0075268800000000 ] - [ -0.0102382500000000, -0.0052500400000000, 0.0074500100000000 ] - [ 0.0021227800000000, 0.0002376100000000, -0.0000035400000000 ] - [ 0.0224880000000000, -0.0073075900000000, 0.0293668600000000 ] - [ 0.0227253900000000, -0.0064592600000000, -0.0295390600000000 ] - [ 0.0041980800000000, 0.0005893700000000, 0.0000053200000000 ] - [ 0.0018789500000000, -0.0010626600000000, 0.0003381900000000 ] - [ -0.0034267900000000, 0.0001541600000000, -0.0003527300000000 ] - [ -0.0000528400000000, 0.0003896900000000, -0.0001984700000000 ] - [ 0.0002387400000000, -0.0000186800000000, 0.0010796300000000 ] - [ -0.0003562300000000, -0.0011363500000000, -0.0006574400000000 ] - [ 0.0000362800000000, -0.0008588400000000, -0.0002179200000000 ] - [ -0.0019504000000000, 0.0069182500000000, -0.0000131700000000 ] - [ -0.0011214400000000, 0.0069158100000000, -0.0012208400000000 ] - [ 0.0098455600000000, -0.0059222500000000, -0.0028631100000000 ] - [ 0.0099160600000000, -0.0052034700000000, 0.0041250100000000 ] - [ -0.0008950700000000, 0.0033233800000000, 0.0023820200000000 ] - [ -0.0008801400000000, 0.0034216100000000, -0.0016258200000000 ] - [ -0.0014865900000000, -0.0001163500000000, -0.0000042600000000 ] - [ -0.0001875900000000, 0.0010141800000000, 0.0003468600000000 ] - [ 0.0056063300000000, -0.0021601900000000, 0.0035927300000000 ] - [ 0.0051845200000000, -0.0022177200000000, -0.0031704000000000 ] - [ 0.0049650500000000, 0.0032205400000000, -0.0086013700000000 ] - [ 0.0050441000000000, 0.0028067900000000, 0.0081999400000000 ] - [ -0.0019109800000000, 0.0000229800000000, -0.0007809200000000 ] - [ -0.0030425000000000, 0.0013382000000000, 0.0004517100000000 ] - [ -0.0090713300000000, -0.0030661000000000, 0.0029104400000000 ] - [ -0.0090120000000000, -0.0030620800000000, -0.0036637000000000 ] - [ -0.0118910800000000, 0.0071791500000000, -0.0041671900000000 ] - [ -0.0119068500000000, 0.0069704200000000, 0.0054440400000000 ] - [ -0.0053143900000000, -0.0011186900000000, 0.0000932200000000 ] - [ -0.0039095600000000, -0.0004749700000000, -0.0007130700000000 ] - [ 0.1499776500000000, 0.0620679900000000, -0.0870351100000000 ] - [ 0.1451407100000000, 0.0575219600000000, 0.0812785300000000 ] - [ 0.0717284400000000, -0.0590403900000000, -0.0433179400000000 ] - [ 0.0723906700000000, -0.0597415600000000, 0.0445857300000000 ] - [ -0.0020676800000000, 0.0023702000000000, 0.0001686500000000 ] - [ -0.0014464300000000, 0.0009511600000000, 0.0004478600000000 ] - [ 0.0055538900000000, 0.0033875800000000, -0.0009439300000000 ] - [ 0.0052813300000000, 0.0033530400000000, -0.0002786500000000 ] - [ 0.0009507600000000, -0.0028652600000000, 0.0002375800000000 ] - [ 0.0010987400000000, -0.0033906200000000, -0.0001932500000000 ] - [ -0.0104701400000000, 0.0053328200000000, -0.0000002000000000 ] - [ 0.0125448700000000, -0.0018985700000000, -0.0028996600000000 ] - [ 0.0119834200000000, -0.0019943100000000, 0.0028296400000000 ] - [ -0.4692406400000000, -0.0000572700000000, 0.0046546200000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0041069600000000, 0.0214224800000000, 0.0240641400000000 ] - [ -0.0041069600000000, -0.0214224800000000, 0.0240641400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051645900000000 ] - [ 0.0209512000000000, -0.0049303800000000, 0.0241384000000000 ] - [ -0.0209512000000000, 0.0049303800000000, 0.0241384000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072617800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005445700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012204100000000 ] - [ 0.0012660000000000, 0.0001323800000000, 0.0034852600000000 ] - [ -0.0012660000000000, -0.0001323800000000, 0.0034852600000000 ] - [ -0.0002804600000000, -0.0015235700000000, 0.0026066600000000 ] - [ 0.0002804600000000, 0.0015235700000000, 0.0026066600000000 ] - [ 0.0006988500000000, -0.0052436500000000, -0.0050776400000000 ] - [ -0.0006988500000000, 0.0052436500000000, -0.0050776400000000 ] - [ -0.0052257200000000, -0.0015022700000000, -0.0038829700000000 ] - [ 0.0052257200000000, 0.0015022700000000, -0.0038829700000000 ] - [ 0.0027005000000000, -0.0030068400000000, -0.0045171200000000 ] - [ -0.0027005000000000, 0.0030068400000000, -0.0045171200000000 ] - [ -0.0030756100000000, -0.0000465200000000, -0.0028975000000000 ] - [ 0.0030756100000000, 0.0000465200000000, -0.0028975000000000 ] - [ -0.0011132200000000, 0.0015016000000000, -0.0128400200000000 ] - [ 0.0011132200000000, -0.0015016000000000, -0.0128400200000000 ] - [ 0.0014929600000000, 0.0015055000000000, -0.0132165600000000 ] - [ -0.0014929600000000, -0.0015055000000000, -0.0132165600000000 ] - [ 0.0010871400000000, 0.0017653000000000, -0.0032429100000000 ] - [ -0.0010871400000000, -0.0017653000000000, -0.0032429100000000 ] - [ 0.0028833500000000, 0.0026885300000000, -0.0052956900000000 ] - [ -0.0028833500000000, -0.0026885300000000, -0.0052956900000000 ] - [ -0.0048687700000000, 0.0062980100000000, -0.0002123500000000 ] - [ 0.0048687700000000, -0.0062980100000000, -0.0002123500000000 ] - [ 0.0002593100000000, 0.0030804100000000, 0.0021735300000000 ] - [ -0.0002593100000000, -0.0030804100000000, 0.0021735300000000 ] - [ -0.0840338200000000, -0.0436156900000000, 0.1011725800000000 ] - [ 0.0840338200000000, 0.0436156900000000, 0.1011725800000000 ] - [ -0.0464252900000000, 0.0871547300000000, 0.1031340800000000 ] - [ 0.0464252900000000, -0.0871547300000000, 0.1031340800000000 ] - [ -0.0037160700000000, 0.0016669100000000, 0.0028047100000000 ] - [ 0.0037160700000000, -0.0016669100000000, 0.0028047100000000 ] - [ -0.0060461600000000, -0.0048502900000000, -0.0014184000000000 ] - [ 0.0060461600000000, 0.0048502900000000, -0.0014184000000000 ] - [ 0.0058343900000000, -0.0011599800000000, 0.0018685500000000 ] - [ -0.0058343900000000, 0.0011599800000000, 0.0018685500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0254889900000000 ] - [ 0.0016923200000000, 0.0059522800000000, 0.0018565100000000 ] - [ -0.0016923200000000, -0.0059522800000000, 0.0018565100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4510333800000000 ]