# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d8616ee1-f4be-40bd-a8b4-f518628d8ac4/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 Sr2B2O5 / P2_1/c (14) / materials id 5401](https://mdr.nims.go.jp/datasets/68071550-74f3-4772-84c7-7233d22c10da) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.717000010000000, 0.000000000000000, -0.063749980000000 ] # a - [ 0.000000000000000, 5.328611670000000, 0.000000000000000 ] # b - [ -0.518517720000000, 0.000000000000000, 11.859530240000000 ] # c points: - symbol: B # 1 coordinates: [ 0.660150080000000, 0.545593920000000, 0.083758940000000 ] mass: 10.811000 - symbol: B # 2 coordinates: [ 0.339849920000000, 0.045593920000000, 0.416241060000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.339849920000000, 0.454406080000000, 0.916241060000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.660150080000000, 0.954406080000000, 0.583758940000000 ] mass: 10.811000 - symbol: B # 5 coordinates: [ 0.840461230000000, 0.429792440000000, 0.904347060000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.159538770000000, 0.929792440000000, 0.595652940000000 ] mass: 10.811000 - symbol: B # 7 coordinates: [ 0.159538770000000, 0.570207560000000, 0.095652940000000 ] mass: 10.811000 - symbol: B # 8 coordinates: [ 0.840461230000000, 0.070207560000000, 0.404347060000000 ] mass: 10.811000 - symbol: O # 9 coordinates: [ 0.142956880000000, 0.154598460000000, 0.647631580000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.857043120000000, 0.654598460000000, 0.852368420000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.857043120000000, 0.845401540000000, 0.352368420000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.142956880000000, 0.345401540000000, 0.147631580000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.892774390000000, 0.210950170000000, 0.856606980000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.107225610000000, 0.710950170000000, 0.643393020000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.107225610000000, 0.789049830000000, 0.143393020000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.892774390000000, 0.289049830000000, 0.356606980000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.598201510000000, 0.096397450000000, 0.668823420000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.401798490000000, 0.596397450000000, 0.831176580000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.401798490000000, 0.903602550000000, 0.331176580000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.598201510000000, 0.403602550000000, 0.168823420000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.645802200000000, 0.700646280000000, 0.571464230000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.354197800000000, 0.200646280000000, 0.928535770000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.354197800000000, 0.299353720000000, 0.428535770000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.645802200000000, 0.799353720000000, 0.071464230000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.753629440000000, 0.105070950000000, 0.506144420000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.246370560000000, 0.605070950000000, 0.993855580000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.246370560000000, 0.894929050000000, 0.493855580000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.753629440000000, 0.394929050000000, 0.006144420000000 ] mass: 15.999400 - symbol: Sr # 29 coordinates: [ 0.381450850000000, 0.046759790000000, 0.132147000000000 ] mass: 87.620000 - symbol: Sr # 30 coordinates: [ 0.618549150000000, 0.546759790000000, 0.367853000000000 ] mass: 87.620000 - symbol: Sr # 31 coordinates: [ 0.618549150000000, 0.953240210000000, 0.867853000000000 ] mass: 87.620000 - symbol: Sr # 32 coordinates: [ 0.381450850000000, 0.453240210000000, 0.632147000000000 ] mass: 87.620000 - symbol: Sr # 33 coordinates: [ 0.875624570000000, 0.089051900000000, 0.161152160000000 ] mass: 87.620000 - symbol: Sr # 34 coordinates: [ 0.124375430000000, 0.589051900000000, 0.338847840000000 ] mass: 87.620000 - symbol: Sr # 35 coordinates: [ 0.124375430000000, 0.910948100000000, 0.838847840000000 ] mass: 87.620000 - symbol: Sr # 36 coordinates: [ 0.875624570000000, 0.410948100000000, 0.661152160000000 ] mass: 87.620000 reciprocal_lattice: # without 2pi - [ 0.129630855579812, 0.000000000000000, 0.005667669318822 ] # a* - [ 0.000000000000000, 0.187666143064991, 0.000000000000000 ] # b* - [ 0.000696820555567, 0.000000000000000, 0.084350837981060 ] # c*unit_cell: lattice: - [ 7.717000010000000, 0.000000000000000, -0.063749980000000 ] # a - [ 0.000000000000000, 5.328611670000000, 0.000000000000000 ] # b - [ -0.518517720000000, 0.000000000000000, 11.859530240000000 ] # c points: - symbol: B # 1 coordinates: [ 0.660150080000000, 0.545593920000000, 0.083758940000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.339849920000000, 0.045593920000000, 0.416241060000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.339849920000000, 0.454406080000000, 0.916241060000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.660150080000000, 0.954406080000000, 0.583758940000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.840461230000000, 0.429792440000000, 0.904347060000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.159538770000000, 0.929792440000000, 0.595652940000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.159538770000000, 0.570207560000000, 0.095652940000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.840461230000000, 0.070207560000000, 0.404347060000000 ] mass: 10.811000 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.142956880000000, 0.154598460000000, 0.647631580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.857043120000000, 0.654598460000000, 0.852368420000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.857043120000000, 0.845401540000000, 0.352368420000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.142956880000000, 0.345401540000000, 0.147631580000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.892774390000000, 0.210950170000000, 0.856606980000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.107225610000000, 0.710950170000000, 0.643393020000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.107225610000000, 0.789049830000000, 0.143393020000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.892774390000000, 0.289049830000000, 0.356606980000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.598201510000000, 0.096397450000000, 0.668823420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.401798490000000, 0.596397450000000, 0.831176580000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.401798490000000, 0.903602550000000, 0.331176580000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.598201510000000, 0.403602550000000, 0.168823420000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.645802200000000, 0.700646280000000, 0.571464230000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.354197800000000, 0.200646280000000, 0.928535770000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.354197800000000, 0.299353720000000, 0.428535770000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.645802200000000, 0.799353720000000, 0.071464230000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.753629440000000, 0.105070950000000, 0.506144420000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.246370560000000, 0.605070950000000, 0.993855580000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.246370560000000, 0.894929050000000, 0.493855580000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.753629440000000, 0.394929050000000, 0.006144420000000 ] mass: 15.999400 reduced_to: 28 - symbol: Sr # 29 coordinates: [ 0.381450850000000, 0.046759790000000, 0.132147000000000 ] mass: 87.620000 reduced_to: 29 - symbol: Sr # 30 coordinates: [ 0.618549150000000, 0.546759790000000, 0.367853000000000 ] mass: 87.620000 reduced_to: 30 - symbol: Sr # 31 coordinates: [ 0.618549150000000, 0.953240210000000, 0.867853000000000 ] mass: 87.620000 reduced_to: 31 - symbol: Sr # 32 coordinates: [ 0.381450850000000, 0.453240210000000, 0.632147000000000 ] mass: 87.620000 reduced_to: 32 - symbol: Sr # 33 coordinates: [ 0.875624570000000, 0.089051900000000, 0.161152160000000 ] mass: 87.620000 reduced_to: 33 - symbol: Sr # 34 coordinates: [ 0.124375430000000, 0.589051900000000, 0.338847840000000 ] mass: 87.620000 reduced_to: 34 - symbol: Sr # 35 coordinates: [ 0.124375430000000, 0.910948100000000, 0.838847840000000 ] mass: 87.620000 reduced_to: 35 - symbol: Sr # 36 coordinates: [ 0.875624570000000, 0.410948100000000, 0.661152160000000 ] mass: 87.620000 reduced_to: 36supercell: lattice: - [ 15.434000019999999, 0.000000000000000, -0.127499960000000 ] # a - [ 0.000000000000000, 10.657223340000000, 0.000000000000000 ] # b - [ -0.518517720000000, 0.000000000000000, 11.859530240000000 ] # c points: - symbol: B # 1 coordinates: [ 0.330075040000000, 0.272796960000000, 0.083758940000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.830075040000000, 0.272796960000000, 0.083758940000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 3 coordinates: [ 0.330075040000000, 0.772796960000000, 0.083758940000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 4 coordinates: [ 0.830075040000000, 0.772796960000000, 0.083758940000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 5 coordinates: [ 0.169924960000000, 0.022796960000000, 0.416241060000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.669924960000000, 0.022796960000000, 0.416241060000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 7 coordinates: [ 0.169924960000000, 0.522796960000000, 0.416241060000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 8 coordinates: [ 0.669924960000000, 0.522796960000000, 0.416241060000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 9 coordinates: [ 0.169924960000000, 0.227203040000000, 0.916241060000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.669924960000000, 0.227203040000000, 0.916241060000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 11 coordinates: [ 0.169924960000000, 0.727203040000000, 0.916241060000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 12 coordinates: [ 0.669924960000000, 0.727203040000000, 0.916241060000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 13 coordinates: [ 0.330075040000000, 0.477203040000000, 0.583758940000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.830075040000000, 0.477203040000000, 0.583758940000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 15 coordinates: [ 0.330075040000000, 0.977203040000000, 0.583758940000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 16 coordinates: [ 0.830075040000000, 0.977203040000000, 0.583758940000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 17 coordinates: [ 0.420230615000000, 0.214896220000000, 0.904347060000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.920230615000000, 0.214896220000000, 0.904347060000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 19 coordinates: [ 0.420230615000000, 0.714896220000000, 0.904347060000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 20 coordinates: [ 0.920230615000000, 0.714896220000000, 0.904347060000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 21 coordinates: [ 0.079769385000000, 0.464896220000000, 0.595652940000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.579769385000000, 0.464896220000000, 0.595652940000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 23 coordinates: [ 0.079769385000000, 0.964896220000000, 0.595652940000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 24 coordinates: [ 0.579769385000000, 0.964896220000000, 0.595652940000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 25 coordinates: [ 0.079769385000000, 0.285103780000000, 0.095652940000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.579769385000000, 0.285103780000000, 0.095652940000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.079769385000000, 0.785103780000000, 0.095652940000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 28 coordinates: [ 0.579769385000000, 0.785103780000000, 0.095652940000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 29 coordinates: [ 0.420230615000000, 0.035103780000000, 0.404347060000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.920230615000000, 0.035103780000000, 0.404347060000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 31 coordinates: [ 0.420230615000000, 0.535103780000000, 0.404347060000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 32 coordinates: [ 0.920230615000000, 0.535103780000000, 0.404347060000000 ] mass: 10.811000 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.071478440000000, 0.077299230000000, 0.647631580000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.571478440000000, 0.077299230000000, 0.647631580000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.071478440000000, 0.577299230000000, 0.647631580000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.571478440000000, 0.577299230000000, 0.647631580000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.428521560000000, 0.327299230000000, 0.852368420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.928521560000000, 0.327299230000000, 0.852368420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.428521560000000, 0.827299230000000, 0.852368420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.928521560000000, 0.827299230000000, 0.852368420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.428521560000000, 0.422700770000000, 0.352368420000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.928521560000000, 0.422700770000000, 0.352368420000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.428521560000000, 0.922700770000000, 0.352368420000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.928521560000000, 0.922700770000000, 0.352368420000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.071478440000000, 0.172700770000000, 0.147631580000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.571478440000000, 0.172700770000000, 0.147631580000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.071478440000000, 0.672700770000000, 0.147631580000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.571478440000000, 0.672700770000000, 0.147631580000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.446387195000000, 0.105475085000000, 0.856606980000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.946387195000000, 0.105475085000000, 0.856606980000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.446387195000000, 0.605475085000000, 0.856606980000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.946387195000000, 0.605475085000000, 0.856606980000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.053612805000000, 0.355475085000000, 0.643393020000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.553612805000000, 0.355475085000000, 0.643393020000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.053612805000000, 0.855475085000000, 0.643393020000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.553612805000000, 0.855475085000000, 0.643393020000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.053612805000000, 0.394524915000000, 0.143393020000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.553612805000000, 0.394524915000000, 0.143393020000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.053612805000000, 0.894524915000000, 0.143393020000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.553612805000000, 0.894524915000000, 0.143393020000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.446387195000000, 0.144524915000000, 0.356606980000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.946387195000000, 0.144524915000000, 0.356606980000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.446387195000000, 0.644524915000000, 0.356606980000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.946387195000000, 0.644524915000000, 0.356606980000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.299100755000000, 0.048198725000000, 0.668823420000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.799100755000000, 0.048198725000000, 0.668823420000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.299100755000000, 0.548198725000000, 0.668823420000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.799100755000000, 0.548198725000000, 0.668823420000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.200899245000000, 0.298198725000000, 0.831176580000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.700899245000000, 0.298198725000000, 0.831176580000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.200899245000000, 0.798198725000000, 0.831176580000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.700899245000000, 0.798198725000000, 0.831176580000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.200899245000000, 0.451801275000000, 0.331176580000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.700899245000000, 0.451801275000000, 0.331176580000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.200899245000000, 0.951801275000000, 0.331176580000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.700899245000000, 0.951801275000000, 0.331176580000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.299100755000000, 0.201801275000000, 0.168823420000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.799100755000000, 0.201801275000000, 0.168823420000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.299100755000000, 0.701801275000000, 0.168823420000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.799100755000000, 0.701801275000000, 0.168823420000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.322901100000000, 0.350323140000000, 0.571464230000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.822901100000000, 0.350323140000000, 0.571464230000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.322901100000000, 0.850323140000000, 0.571464230000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.822901100000000, 0.850323140000000, 0.571464230000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.177098900000000, 0.100323140000000, 0.928535770000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.677098900000000, 0.100323140000000, 0.928535770000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.177098900000000, 0.600323140000000, 0.928535770000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.677098900000000, 0.600323140000000, 0.928535770000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.177098900000000, 0.149676860000000, 0.428535770000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.677098900000000, 0.149676860000000, 0.428535770000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.177098900000000, 0.649676860000000, 0.428535770000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.677098900000000, 0.649676860000000, 0.428535770000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.322901100000000, 0.399676860000000, 0.071464230000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.822901100000000, 0.399676860000000, 0.071464230000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.322901100000000, 0.899676860000000, 0.071464230000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.822901100000000, 0.899676860000000, 0.071464230000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.376814720000000, 0.052535475000000, 0.506144420000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.876814720000000, 0.052535475000000, 0.506144420000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.376814720000000, 0.552535475000000, 0.506144420000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.876814720000000, 0.552535475000000, 0.506144420000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.123185280000000, 0.302535475000000, 0.993855580000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.623185280000000, 0.302535475000000, 0.993855580000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.123185280000000, 0.802535475000000, 0.993855580000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.623185280000000, 0.802535475000000, 0.993855580000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.123185280000000, 0.447464525000000, 0.493855580000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.623185280000000, 0.447464525000000, 0.493855580000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.123185280000000, 0.947464525000000, 0.493855580000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.623185280000000, 0.947464525000000, 0.493855580000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.376814720000000, 0.197464525000000, 0.006144420000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.876814720000000, 0.197464525000000, 0.006144420000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.376814720000000, 0.697464525000000, 0.006144420000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.876814720000000, 0.697464525000000, 0.006144420000000 ] mass: 15.999400 reduced_to: 109 - symbol: Sr # 113 coordinates: [ 0.190725425000000, 0.023379895000000, 0.132147000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 114 coordinates: [ 0.690725425000000, 0.023379895000000, 0.132147000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 115 coordinates: [ 0.190725425000000, 0.523379895000000, 0.132147000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 116 coordinates: [ 0.690725425000000, 0.523379895000000, 0.132147000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 117 coordinates: [ 0.309274575000000, 0.273379895000000, 0.367853000000000 ] mass: 87.620000 reduced_to: 117 - symbol: Sr # 118 coordinates: [ 0.809274575000000, 0.273379895000000, 0.367853000000000 ] mass: 87.620000 reduced_to: 117 - symbol: Sr # 119 coordinates: [ 0.309274575000000, 0.773379895000000, 0.367853000000000 ] mass: 87.620000 reduced_to: 117 - symbol: Sr # 120 coordinates: [ 0.809274575000000, 0.773379895000000, 0.367853000000000 ] mass: 87.620000 reduced_to: 117 - symbol: Sr # 121 coordinates: [ 0.309274575000000, 0.476620105000000, 0.867853000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 122 coordinates: [ 0.809274575000000, 0.476620105000000, 0.867853000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 123 coordinates: [ 0.309274575000000, 0.976620105000000, 0.867853000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 124 coordinates: [ 0.809274575000000, 0.976620105000000, 0.867853000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 125 coordinates: [ 0.190725425000000, 0.226620105000000, 0.632147000000000 ] mass: 87.620000 reduced_to: 125 - symbol: Sr # 126 coordinates: [ 0.690725425000000, 0.226620105000000, 0.632147000000000 ] mass: 87.620000 reduced_to: 125 - symbol: Sr # 127 coordinates: [ 0.190725425000000, 0.726620105000000, 0.632147000000000 ] mass: 87.620000 reduced_to: 125 - symbol: Sr # 128 coordinates: [ 0.690725425000000, 0.726620105000000, 0.632147000000000 ] mass: 87.620000 reduced_to: 125 - symbol: Sr # 129 coordinates: [ 0.437812285000000, 0.044525950000000, 0.161152160000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 130 coordinates: [ 0.937812285000000, 0.044525950000000, 0.161152160000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 131 coordinates: [ 0.437812285000000, 0.544525950000000, 0.161152160000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 132 coordinates: [ 0.937812285000000, 0.544525950000000, 0.161152160000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 133 coordinates: [ 0.062187715000000, 0.294525950000000, 0.338847840000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 134 coordinates: [ 0.562187715000000, 0.294525950000000, 0.338847840000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 135 coordinates: [ 0.062187715000000, 0.794525950000000, 0.338847840000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 136 coordinates: [ 0.562187715000000, 0.794525950000000, 0.338847840000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 137 coordinates: [ 0.062187715000000, 0.455474050000000, 0.838847840000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 138 coordinates: [ 0.562187715000000, 0.455474050000000, 0.838847840000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 139 coordinates: [ 0.062187715000000, 0.955474050000000, 0.838847840000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 140 coordinates: [ 0.562187715000000, 0.955474050000000, 0.838847840000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 141 coordinates: [ 0.437812285000000, 0.205474050000000, 0.661152160000000 ] mass: 87.620000 reduced_to: 141 - symbol: Sr # 142 coordinates: [ 0.937812285000000, 0.205474050000000, 0.661152160000000 ] mass: 87.620000 reduced_to: 141 - symbol: Sr # 143 coordinates: [ 0.437812285000000, 0.705474050000000, 0.661152160000000 ] mass: 87.620000 reduced_to: 141 - symbol: Sr # 144 coordinates: [ 0.937812285000000, 0.705474050000000, 0.661152160000000 ] mass: 87.620000 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099996587985401, 0.0000000000000000, -0.0000826069777877 ] forces: - [ -0.2301360300000000, 0.0080568700000000, 0.1057095200000000 ] - [ 0.0008527300000000, -0.0003708600000000, -0.0006507200000000 ] - [ -0.0002680900000000, -0.0007088100000000, 0.0004390300000000 ] - [ 0.0004652200000000, -0.0003530800000000, -0.0004569600000000 ] - [ 0.0004918500000000, 0.0004329700000000, -0.0008597300000000 ] - [ -0.0000244600000000, -0.0002779500000000, 0.0001440000000000 ] - [ 0.0004875700000000, -0.0012092400000000, -0.0011412100000000 ] - [ -0.0000240700000000, 0.0001148000000000, 0.0002226700000000 ] - [ -0.0000956500000000, 0.0017076400000000, 0.0064839000000000 ] - [ 0.0013441200000000, -0.0001380400000000, -0.0008590900000000 ] - [ -0.0005806500000000, 0.0000404600000000, 0.0011231800000000 ] - [ 0.0000363400000000, 0.0004003900000000, 0.0001414000000000 ] - [ -0.0000314800000000, -0.0001904500000000, -0.0007070600000000 ] - [ 0.0004961200000000, 0.0003403000000000, -0.0005948900000000 ] - [ 0.0005128100000000, -0.0001190400000000, -0.0014987800000000 ] - [ 0.0005152000000000, 0.0002980500000000, -0.0006580200000000 ] - [ 0.0209607300000000, 0.0007236500000000, -0.0236597800000000 ] - [ 0.0007394000000000, 0.0005663700000000, -0.0000347200000000 ] - [ -0.0007673700000000, -0.0000526400000000, 0.0016972500000000 ] - [ 0.0003723600000000, 0.0004476000000000, -0.0000692600000000 ] - [ 0.0001752100000000, 0.0002978500000000, -0.0006228700000000 ] - [ 0.0001945600000000, 0.0011205600000000, -0.0007805400000000 ] - [ 0.0001603800000000, 0.0006710400000000, -0.0006491400000000 ] - [ 0.0001179900000000, -0.0000691900000000, -0.0008882200000000 ] - [ 0.0030036400000000, -0.0013307700000000, -0.0018722300000000 ] - [ 0.0030125700000000, -0.0001499200000000, -0.0002826600000000 ] - [ -0.0003555000000000, -0.0000287600000000, 0.0003976800000000 ] - [ -0.0000900100000000, -0.0010848900000000, 0.0002201500000000 ] - [ 0.0001620600000000, 0.0008593300000000, -0.0009482200000000 ] - [ 0.0005234500000000, -0.0003134300000000, -0.0003522400000000 ] - [ 0.0000286000000000, -0.0010054300000000, -0.0003414100000000 ] - [ 0.0004585200000000, -0.0006388600000000, -0.0003135200000000 ] - [ -0.0000082300000000, -0.0005309700000000, -0.0002341800000000 ] - [ -0.0004034200000000, -0.0000254900000000, 0.0005893700000000 ] - [ 0.0000543500000000, -0.0001871000000000, -0.0002098800000000 ] - [ 0.0001182800000000, -0.0009248800000000, 0.0000673000000000 ] - [ -0.0033615500000000, -0.0081286300000000, 0.0090583700000000 ] - [ -0.0008934700000000, -0.0004863700000000, 0.0002163300000000 ] - [ 0.0002482300000000, 0.0006811200000000, 0.0000949600000000 ] - [ -0.0006326700000000, -0.0005124700000000, 0.0003572000000000 ] - [ 0.0014476500000000, 0.0010734000000000, 0.0005258700000000 ] - [ -0.0008101600000000, 0.0006876000000000, 0.0005385000000000 ] - [ 0.0005062300000000, 0.0001901200000000, -0.0001231000000000 ] - [ -0.0006187100000000, 0.0004272500000000, 0.0005015200000000 ] - [ -0.0019257800000000, 0.0001322200000000, 0.0000930800000000 ] - [ -0.0021663100000000, 0.0012609500000000, -0.0018892400000000 ] - [ 0.0000541800000000, 0.0003555400000000, -0.0003502000000000 ] - [ 0.0006679800000000, 0.0008116800000000, -0.0007198600000000 ] - [ -0.0081182800000000, 0.0067707500000000, 0.0076501300000000 ] - [ -0.0007420000000000, 0.0003964200000000, -0.0003226000000000 ] - [ 0.0005774600000000, -0.0001084800000000, -0.0005775700000000 ] - [ -0.0006103600000000, 0.0006061900000000, -0.0002229300000000 ] - [ -0.0001488800000000, 0.0003499600000000, 0.0002934300000000 ] - [ -0.0004558800000000, -0.0000890800000000, 0.0011506000000000 ] - [ -0.0000662000000000, 0.0001360800000000, 0.0004316200000000 ] - [ 0.0001472200000000, 0.0008089100000000, 0.0007565300000000 ] - [ -0.0011324000000000, 0.0008540700000000, 0.0009109300000000 ] - [ -0.0018794000000000, -0.0020219400000000, -0.0010080900000000 ] - [ -0.0007489200000000, -0.0012372800000000, 0.0000713300000000 ] - [ 0.0003120200000000, -0.0001396700000000, -0.0001882700000000 ] - [ 0.0027976200000000, -0.0014975900000000, 0.0009829900000000 ] - [ -0.0008737500000000, -0.0006960800000000, 0.0000182400000000 ] - [ 0.0002487400000000, -0.0000551800000000, -0.0000145100000000 ] - [ -0.0005863300000000, -0.0004738300000000, -0.0000938900000000 ] - [ 0.0008030600000000, 0.0001503400000000, 0.0018809000000000 ] - [ -0.0005358200000000, 0.0000470900000000, 0.0004749300000000 ] - [ 0.0004288600000000, 0.0001437800000000, 0.0006978900000000 ] - [ -0.0004420500000000, -0.0000290700000000, 0.0004484900000000 ] - [ 0.0019666700000000, 0.0002989200000000, -0.0021101100000000 ] - [ -0.0010084700000000, -0.0003490800000000, 0.0003982600000000 ] - [ 0.0010365700000000, 0.0006361400000000, -0.0005561100000000 ] - [ -0.0005757800000000, -0.0000253000000000, -0.0001383800000000 ] - [ -0.0009958100000000, 0.0017450700000000, 0.0011451400000000 ] - [ -0.0004035300000000, 0.0000317100000000, -0.0005874100000000 ] - [ -0.0004568400000000, -0.0008494500000000, 0.0008496600000000 ] - [ -0.0002905300000000, 0.0003093800000000, -0.0004006800000000 ] - [ 0.0886316500000000, 0.0477994800000000, -0.0632624000000000 ] - [ -0.0008753800000000, 0.0000073500000000, 0.0002752500000000 ] - [ 0.0006935300000000, 0.0007857500000000, -0.0003289100000000 ] - [ -0.0005479600000000, -0.0000419900000000, 0.0002346000000000 ] - [ 0.0006921100000000, 0.0006133000000000, 0.0021420600000000 ] - [ -0.0007839100000000, 0.0001736200000000, 0.0001113300000000 ] - [ -0.0000547900000000, 0.0005103900000000, 0.0006266400000000 ] - [ -0.0006981400000000, 0.0002078000000000, 0.0001302100000000 ] - [ 0.0014588500000000, -0.0014073400000000, -0.0025495500000000 ] - [ -0.0007600800000000, 0.0006667300000000, 0.0000169500000000 ] - [ 0.0009530400000000, 0.0005213400000000, -0.0005438300000000 ] - [ -0.0001987100000000, -0.0001168000000000, -0.0001739300000000 ] - [ -0.0002688700000000, -0.0008326400000000, 0.0009171000000000 ] - [ 0.0001105300000000, -0.0001737300000000, -0.0000476200000000 ] - [ 0.0003747600000000, 0.0005574800000000, 0.0004802800000000 ] - [ 0.0002009000000000, -0.0004902400000000, 0.0000213400000000 ] - [ 0.0554293900000000, -0.0196875600000000, 0.0005279300000000 ] - [ -0.0010843200000000, -0.0001963900000000, -0.0000368500000000 ] - [ 0.0011946500000000, 0.0003699400000000, -0.0013890400000000 ] - [ -0.0009864000000000, -0.0001718800000000, -0.0000488100000000 ] - [ 0.0000567800000000, -0.0003412500000000, 0.0008927400000000 ] - [ -0.0005084500000000, -0.0002495800000000, 0.0001265700000000 ] - [ 0.0001737100000000, -0.0000010200000000, 0.0000020400000000 ] - [ -0.0004542800000000, -0.0001890300000000, 0.0000782500000000 ] - [ -0.0019947600000000, -0.0004610700000000, -0.0016947700000000 ] - [ -0.0013904200000000, 0.0000242600000000, 0.0010848800000000 ] - [ 0.0003322500000000, -0.0004862000000000, -0.0003474400000000 ] - [ -0.0001233400000000, 0.0001302100000000, 0.0000182900000000 ] - [ -0.0003834500000000, 0.0001815400000000, 0.0011879600000000 ] - [ -0.0002595400000000, -0.0001217000000000, 0.0008043900000000 ] - [ -0.0004672700000000, -0.0003104500000000, 0.0012301700000000 ] - [ -0.0001620700000000, 0.0002282500000000, 0.0008732700000000 ] - [ 0.0725381500000000, -0.0277914600000000, -0.0366838000000000 ] - [ -0.0007794400000000, 0.0002462400000000, -0.0000942000000000 ] - [ 0.0008293600000000, 0.0004808800000000, -0.0015235600000000 ] - [ -0.0004571300000000, 0.0002309700000000, -0.0001775400000000 ] - [ 0.0046096500000000, 0.0073583900000000, 0.0005807700000000 ] - [ 0.0016009200000000, -0.0010236600000000, 0.0002817100000000 ] - [ 0.0027963900000000, -0.0061336800000000, -0.0002908100000000 ] - [ 0.0014077100000000, 0.0005405200000000, 0.0001852800000000 ] - [ -0.0021190500000000, -0.0025100400000000, -0.0073362000000000 ] - [ 0.0006426000000000, -0.0002501200000000, 0.0002514400000000 ] - [ -0.0011175100000000, 0.0000035700000000, -0.0002335700000000 ] - [ 0.0004049500000000, -0.0002385800000000, 0.0001726400000000 ] - [ -0.0044464200000000, 0.0020949000000000, 0.0013484600000000 ] - [ 0.0008670800000000, 0.0003358100000000, 0.0001406500000000 ] - [ -0.0054394800000000, -0.0045974100000000, -0.0016852900000000 ] - [ 0.0008502200000000, 0.0001539300000000, 0.0001392100000000 ] - [ -0.0005516100000000, 0.0004875000000000, -0.0007024200000000 ] - [ 0.0011352800000000, 0.0001928500000000, -0.0006239300000000 ] - [ -0.0002659700000000, 0.0000917000000000, -0.0006357700000000 ] - [ 0.0008380700000000, 0.0002066000000000, -0.0003897500000000 ] - [ -0.0019548600000000, -0.0090103200000000, 0.0094781200000000 ] - [ 0.0011797700000000, 0.0002741100000000, -0.0000217600000000 ] - [ -0.0018764900000000, 0.0038417000000000, 0.0013496700000000 ] - [ 0.0008590900000000, -0.0004738400000000, -0.0000107500000000 ] - [ 0.0018482100000000, -0.0002466700000000, -0.0009084600000000 ] - [ -0.0004339000000000, -0.0001768400000000, 0.0018310100000000 ] - [ 0.0009418600000000, 0.0001806800000000, -0.0000897300000000 ] - [ -0.0001645100000000, -0.0002030900000000, 0.0002336800000000 ] - [ 0.0009007200000000, -0.0008075900000000, 0.0009200600000000 ] - [ 0.0021573600000000, 0.0020883500000000, -0.0005773800000000 ] - [ 0.0007303900000000, 0.0006541000000000, 0.0005586000000000 ] - [ 0.0022935000000000, -0.0021538900000000, -0.0004815600000000 ] - [ -0.0010235600000000, 0.0000318800000000, -0.0041615700000000 ] - [ 0.0003681100000000, 0.0001030800000000, -0.0000115400000000 ] - [ -0.0009507600000000, -0.0001003100000000, -0.0008814200000000 ] - [ 0.0002196200000000, 0.0000478900000000, -0.0001034700000000 ]- atom: 1 displacement: [ -0.0099996587985401, 0.0000000000000000, 0.0000826069777877 ] forces: - [ 0.2280207700000000, -0.0033776200000000, -0.1052459600000000 ] - [ -0.0006192200000000, -0.0001070400000000, 0.0001410600000000 ] - [ 0.0005072800000000, 0.0002203200000000, -0.0009520200000000 ] - [ -0.0002300300000000, -0.0001266500000000, -0.0000539900000000 ] - [ -0.0007204800000000, -0.0009136700000000, 0.0013642900000000 ] - [ -0.0002146500000000, -0.0002037500000000, 0.0003718000000000 ] - [ -0.0007200600000000, 0.0007322400000000, 0.0016509100000000 ] - [ -0.0002155400000000, -0.0005912300000000, 0.0002947200000000 ] - [ -0.0000943900000000, -0.0012395100000000, -0.0060443100000000 ] - [ -0.0015764400000000, 0.0006096100000000, 0.0013620700000000 ] - [ 0.0003493300000000, 0.0004330100000000, -0.0006149400000000 ] - [ -0.0002758000000000, 0.0000824200000000, 0.0003711400000000 ] - [ 0.0002667100000000, 0.0006694600000000, 0.0001960400000000 ] - [ -0.0002621300000000, 0.0001391200000000, 0.0000839300000000 ] - [ -0.0002746800000000, 0.0005995500000000, 0.0009835800000000 ] - [ -0.0002814900000000, 0.0001794200000000, 0.0001469400000000 ] - [ -0.0207575300000000, 0.0000854800000000, 0.0237381500000000 ] - [ -0.0005244500000000, 0.0004745200000000, 0.0002663500000000 ] - [ 0.0009810000000000, 0.0010935400000000, -0.0014555600000000 ] - [ -0.0001528100000000, 0.0005957000000000, 0.0003025000000000 ] - [ -0.0003911100000000, 0.0007478100000000, 0.0003862800000000 ] - [ -0.0004175200000000, -0.0000785100000000, 0.0005507000000000 ] - [ -0.0003763200000000, 0.0003684900000000, 0.0004115500000000 ] - [ -0.0003407000000000, 0.0011134900000000, 0.0006590400000000 ] - [ -0.0032732900000000, 0.0002935200000000, 0.0016910200000000 ] - [ -0.0032079500000000, -0.0009092700000000, 0.0000266000000000 ] - [ 0.0001401900000000, -0.0010162000000000, -0.0006342000000000 ] - [ -0.0001314600000000, 0.0000403400000000, -0.0004518500000000 ] - [ 0.0000534300000000, -0.0018999300000000, 0.0011750000000000 ] - [ -0.0003052100000000, -0.0007318200000000, 0.0005871100000000 ] - [ 0.0001922800000000, -0.0000423300000000, 0.0005694300000000 ] - [ -0.0002395200000000, -0.0004008400000000, 0.0005482600000000 ] - [ 0.0003396300000000, -0.0004913700000000, -0.0004451500000000 ] - [ 0.0007428800000000, -0.0010002200000000, -0.0012769400000000 ] - [ 0.0002757400000000, -0.0008405200000000, -0.0004716300000000 ] - [ 0.0002185600000000, -0.0001005800000000, -0.0007516500000000 ] - [ 0.0030372500000000, 0.0071193000000000, -0.0083626000000000 ] - [ 0.0005656900000000, -0.0005390400000000, 0.0004718200000000 ] - [ -0.0005801700000000, -0.0017044100000000, 0.0005853300000000 ] - [ 0.0003013000000000, -0.0005114600000000, 0.0003278900000000 ] - [ -0.0017684700000000, -0.0000465300000000, 0.0001677100000000 ] - [ 0.0004785700000000, 0.0003349000000000, 0.0001427000000000 ] - [ -0.0008358600000000, 0.0008324200000000, 0.0008085300000000 ] - [ 0.0002853600000000, 0.0005994800000000, 0.0001807000000000 ] - [ 0.0022776700000000, 0.0009067300000000, -0.0007924800000000 ] - [ 0.0024857400000000, -0.0002250400000000, 0.0011992000000000 ] - [ 0.0002755900000000, 0.0006682200000000, -0.0003345200000000 ] - [ -0.0003242900000000, 0.0002141500000000, 0.0000338200000000 ] - [ 0.0079342400000000, -0.0059611400000000, -0.0082344400000000 ] - [ 0.0004768700000000, 0.0004576200000000, -0.0001546600000000 ] - [ -0.0008384000000000, 0.0009593400000000, 0.0000941000000000 ] - [ 0.0003426100000000, 0.0002431500000000, -0.0002565100000000 ] - [ 0.0004162400000000, 0.0004997400000000, 0.0001906300000000 ] - [ 0.0007299600000000, 0.0009429000000000, -0.0006714400000000 ] - [ 0.0003325600000000, 0.0007171000000000, 0.0000506100000000 ] - [ 0.0001254200000000, 0.0000425200000000, -0.0002785800000000 ] - [ 0.0014123700000000, -0.0017261700000000, -0.0004494500000000 ] - [ 0.0021188000000000, 0.0011605400000000, 0.0014811800000000 ] - [ 0.0010158200000000, 0.0003904700000000, 0.0004084500000000 ] - [ -0.0000369800000000, -0.0007099500000000, 0.0006687000000000 ] - [ -0.0030498200000000, 0.0006482200000000, -0.0014572000000000 ] - [ 0.0006063900000000, -0.0001536900000000, -0.0005010700000000 ] - [ -0.0005153100000000, -0.0007921900000000, -0.0004620100000000 ] - [ 0.0003163700000000, -0.0003799000000000, -0.0003870700000000 ] - [ -0.0008178900000000, -0.0003173500000000, -0.0013480900000000 ] - [ 0.0005297500000000, -0.0002161200000000, 0.0000586000000000 ] - [ -0.0004418300000000, -0.0003085300000000, -0.0001745600000000 ] - [ 0.0004353500000000, -0.0001413200000000, 0.0000849700000000 ] - [ -0.0019870700000000, -0.0004793200000000, 0.0015922400000000 ] - [ 0.0010182100000000, 0.0001799100000000, -0.0009255200000000 ] - [ -0.0010347400000000, -0.0008039400000000, 0.0000246100000000 ] - [ 0.0005891200000000, -0.0001445600000000, -0.0003941600000000 ] - [ 0.0009935300000000, -0.0015771600000000, -0.0016826000000000 ] - [ 0.0004137400000000, 0.0001350900000000, 0.0000488900000000 ] - [ 0.0004522200000000, 0.0010161600000000, -0.0013811400000000 ] - [ 0.0003024100000000, -0.0001392700000000, -0.0001345700000000 ] - [ -0.0882765700000000, -0.0488698300000000, 0.0654563900000000 ] - [ 0.0008673100000000, 0.0001624500000000, 0.0002556900000000 ] - [ -0.0007097400000000, -0.0006085100000000, 0.0008668200000000 ] - [ 0.0005403700000000, 0.0002096300000000, 0.0002969300000000 ] - [ -0.0013814500000000, -0.0001429100000000, -0.0020338200000000 ] - [ 0.0000994400000000, 0.0002960100000000, -0.0000111600000000 ] - [ -0.0006340000000000, -0.0000414400000000, -0.0005252100000000 ] - [ 0.0000134000000000, 0.0002631100000000, -0.0000299800000000 ] - [ -0.0007788600000000, 0.0018917100000000, 0.0024723400000000 ] - [ 0.0014488700000000, -0.0001911900000000, -0.0001132800000000 ] - [ -0.0002807600000000, -0.0000510600000000, 0.0004416900000000 ] - [ 0.0008880000000000, 0.0005833200000000, 0.0000752800000000 ] - [ 0.0009452500000000, 0.0003653800000000, -0.0010171300000000 ] - [ 0.0005784500000000, -0.0002941600000000, -0.0000547700000000 ] - [ 0.0003078200000000, -0.0010294600000000, -0.0005805900000000 ] - [ 0.0004888200000000, 0.0000180300000000, -0.0001226400000000 ] - [ -0.0557052500000000, 0.0176130900000000, -0.0002523400000000 ] - [ 0.0003999000000000, -0.0002752000000000, 0.0001375900000000 ] - [ -0.0018885200000000, -0.0008382100000000, 0.0014887600000000 ] - [ 0.0003019300000000, -0.0002964300000000, 0.0001504300000000 ] - [ -0.0001151700000000, 0.0001068800000000, -0.0015565900000000 ] - [ 0.0004532900000000, 0.0000186900000000, -0.0007951400000000 ] - [ -0.0002314200000000, -0.0002306400000000, -0.0006679500000000 ] - [ 0.0003983700000000, -0.0000436400000000, -0.0007465800000000 ] - [ 0.0020801900000000, 0.0002380600000000, 0.0023894700000000 ] - [ 0.0014421100000000, -0.0002524400000000, -0.0004007500000000 ] - [ -0.0002798200000000, 0.0002580000000000, 0.0010184500000000 ] - [ 0.0001844700000000, -0.0003638900000000, 0.0006476700000000 ] - [ 0.0004352400000000, 0.0000483600000000, -0.0005179900000000 ] - [ 0.0003207600000000, 0.0003540100000000, -0.0001416900000000 ] - [ 0.0005194200000000, 0.0005422400000000, -0.0005576400000000 ] - [ 0.0002238900000000, 0.0000048700000000, -0.0002103400000000 ] - [ -0.0711054600000000, 0.0260326800000000, 0.0333607000000000 ] - [ 0.0007257900000000, -0.0000135200000000, -0.0005731300000000 ] - [ -0.0008808900000000, -0.0002355300000000, 0.0008523900000000 ] - [ 0.0004009000000000, 0.0000014600000000, -0.0004898200000000 ] - [ -0.0040518600000000, -0.0078985400000000, -0.0008594300000000 ] - [ -0.0010559900000000, 0.0005471500000000, -0.0005853800000000 ] - [ -0.0022199300000000, 0.0057222900000000, -0.0000052100000000 ] - [ -0.0008598500000000, -0.0009995600000000, -0.0004885600000000 ] - [ 0.0015988900000000, 0.0020439800000000, 0.0076343500000000 ] - [ -0.0011909300000000, -0.0002187800000000, 0.0000550700000000 ] - [ 0.0005765900000000, -0.0004714300000000, 0.0005324400000000 ] - [ -0.0009537900000000, -0.0002299400000000, 0.0001321900000000 ] - [ 0.0039135400000000, -0.0016414400000000, -0.0010144100000000 ] - [ -0.0014173400000000, 0.0001357200000000, 0.0001605000000000 ] - [ 0.0049222100000000, 0.0050717200000000, 0.0019960700000000 ] - [ -0.0014011700000000, 0.0003124600000000, 0.0001622500000000 ] - [ 0.0011079900000000, -0.0000194600000000, 0.0003892500000000 ] - [ -0.0005959400000000, 0.0002747300000000, 0.0003196400000000 ] - [ 0.0008198900000000, 0.0003762600000000, 0.0003323900000000 ] - [ -0.0002975000000000, 0.0002630200000000, 0.0000862500000000 ] - [ 0.0012784400000000, 0.0088167200000000, -0.0096518800000000 ] - [ -0.0018385600000000, -0.0003878000000000, -0.0001748400000000 ] - [ 0.0011847700000000, -0.0039165500000000, -0.0015390200000000 ] - [ -0.0015155600000000, 0.0003745200000000, -0.0001862100000000 ] - [ -0.0011947800000000, 0.0001420500000000, 0.0011231400000000 ] - [ 0.0010740100000000, 0.0000690500000000, -0.0016151100000000 ] - [ -0.0002837500000000, -0.0002867000000000, 0.0002915900000000 ] - [ 0.0008085900000000, 0.0000962300000000, -0.0000346300000000 ] - [ -0.0002495600000000, 0.0009308800000000, -0.0007344100000000 ] - [ -0.0015140900000000, -0.0019781100000000, 0.0007697600000000 ] - [ -0.0000812300000000, -0.0005598300000000, -0.0003654600000000 ] - [ -0.0016554100000000, 0.0022649300000000, 0.0006780200000000 ] - [ 0.0003704000000000, 0.0000706600000000, 0.0039666200000000 ] - [ -0.0010215300000000, 0.0000026500000000, -0.0001917500000000 ] - [ 0.0002957500000000, 0.0002064000000000, 0.0006837100000000 ] - [ -0.0008716800000000, 0.0000590100000000, -0.0000972600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0074801700000000, -0.5198012700000000, 0.0852531600000000 ] - [ -0.0000121000000000, -0.0007813600000000, -0.0000866300000000 ] - [ -0.0003574100000000, 0.0088870900000000, -0.0017660800000000 ] - [ 0.0000043700000000, 0.0003418700000000, -0.0003206600000000 ] - [ 0.0008465500000000, 0.0006500800000000, -0.0008552900000000 ] - [ -0.0004700200000000, -0.0002318700000000, 0.0003869200000000 ] - [ -0.0007815100000000, 0.0006442700000000, 0.0015618300000000 ] - [ -0.0000781800000000, -0.0002337000000000, 0.0004946800000000 ] - [ 0.0013863600000000, -0.0092186200000000, 0.0014612200000000 ] - [ -0.0004922100000000, -0.0004393000000000, 0.0003774600000000 ] - [ -0.0003213400000000, 0.0055607800000000, -0.0004905500000000 ] - [ 0.0000403300000000, 0.0007403900000000, 0.0000171200000000 ] - [ 0.0005424100000000, -0.0033665500000000, -0.0010005400000000 ] - [ 0.0000177600000000, 0.0000343800000000, -0.0001693600000000 ] - [ 0.0004757000000000, 0.0022384800000000, -0.0004935200000000 ] - [ 0.0000587800000000, 0.0004221000000000, -0.0001997100000000 ] - [ -0.0107672300000000, -0.0086032700000000, 0.0230919500000000 ] - [ 0.0000100300000000, -0.0000705100000000, 0.0002785300000000 ] - [ 0.0014099200000000, 0.0043200500000000, -0.0025906400000000 ] - [ -0.0001096800000000, 0.0010961600000000, 0.0000707300000000 ] - [ -0.0003251900000000, 0.0001727700000000, 0.0000161900000000 ] - [ -0.0002048100000000, -0.0002942700000000, 0.0003708100000000 ] - [ 0.0003516800000000, 0.0009041600000000, -0.0007196600000000 ] - [ -0.0003460800000000, 0.0014157300000000, 0.0000398800000000 ] - [ -0.0000304600000000, -0.0050518400000000, 0.0024910000000000 ] - [ -0.0000905600000000, -0.0072294300000000, -0.0014846700000000 ] - [ -0.0003929400000000, 0.0028931800000000, -0.0002685800000000 ] - [ -0.0002751700000000, 0.0036222500000000, -0.0004530200000000 ] - [ 0.0008307600000000, 0.0017451600000000, -0.0011870600000000 ] - [ 0.0001715900000000, -0.0003895100000000, 0.0001388500000000 ] - [ -0.0005466200000000, 0.0000742900000000, 0.0016865100000000 ] - [ -0.0000480800000000, -0.0006355600000000, 0.0002064200000000 ] - [ -0.0001406800000000, -0.0004981000000000, -0.0002321000000000 ] - [ 0.0008717300000000, -0.0009814000000000, -0.0007600300000000 ] - [ 0.0004664100000000, -0.0005432400000000, -0.0000957000000000 ] - [ -0.0000930000000000, -0.0001396700000000, -0.0003528200000000 ] - [ 0.0009371200000000, 0.0127998600000000, -0.0063097900000000 ] - [ 0.0002674300000000, -0.0000521000000000, 0.0003337500000000 ] - [ -0.0003676400000000, -0.0040749200000000, 0.0014306800000000 ] - [ -0.0001754700000000, -0.0009820400000000, 0.0004645200000000 ] - [ -0.0007522700000000, 0.0020991800000000, -0.0034379200000000 ] - [ -0.0000991700000000, 0.0007358600000000, 0.0002206600000000 ] - [ -0.0001793800000000, -0.0018615200000000, 0.0014764400000000 ] - [ -0.0001526600000000, 0.0003127300000000, 0.0003266400000000 ] - [ -0.0024658100000000, 0.0029035000000000, -0.0017968400000000 ] - [ 0.0033911800000000, 0.0038152200000000, 0.0000960400000000 ] - [ 0.0031075100000000, -0.0030326700000000, -0.0001536900000000 ] - [ -0.0029081400000000, -0.0031779900000000, 0.0002604300000000 ] - [ 0.0047908100000000, -0.0051163400000000, -0.0088984000000000 ] - [ -0.0002822600000000, 0.0006853600000000, -0.0002631700000000 ] - [ -0.0021654700000000, -0.0014481800000000, 0.0014106700000000 ] - [ 0.0004111200000000, 0.0000967000000000, -0.0001455900000000 ] - [ 0.0002694400000000, 0.0009392500000000, 0.0003927900000000 ] - [ 0.0006765700000000, 0.0013174000000000, -0.0000881100000000 ] - [ 0.0000621300000000, -0.0001402700000000, 0.0004788200000000 ] - [ -0.0000188400000000, -0.0003884100000000, 0.0001339800000000 ] - [ 0.0017610000000000, 0.0021215700000000, -0.0001434100000000 ] - [ -0.0046555300000000, 0.0038689800000000, 0.0003851200000000 ] - [ -0.0008046800000000, -0.0031118200000000, -0.0002387000000000 ] - [ 0.0026176500000000, -0.0041616000000000, -0.0001321200000000 ] - [ 0.0019533700000000, -0.0011148100000000, 0.0030189600000000 ] - [ -0.0002635400000000, -0.0003657200000000, -0.0001959500000000 ] - [ -0.0003640400000000, -0.0018413000000000, -0.0027563000000000 ] - [ 0.0000472300000000, -0.0004965000000000, -0.0004271000000000 ] - [ -0.0006447900000000, -0.0004822100000000, -0.0005550900000000 ] - [ 0.0001786000000000, -0.0001601700000000, 0.0002394400000000 ] - [ -0.0002920600000000, 0.0001724100000000, 0.0041324600000000 ] - [ 0.0001051200000000, -0.0000682900000000, 0.0002812500000000 ] - [ 0.0015615500000000, 0.0046433100000000, 0.0009835000000000 ] - [ 0.0002312000000000, 0.0002997700000000, -0.0003433100000000 ] - [ -0.0009167400000000, -0.0029925400000000, 0.0007310900000000 ] - [ 0.0001932600000000, -0.0004974000000000, -0.0000955400000000 ] - [ 0.0007058900000000, 0.0017243000000000, -0.0033897000000000 ] - [ -0.0000806300000000, 0.0002301500000000, -0.0005806300000000 ] - [ -0.0006242000000000, -0.0014759100000000, 0.0010227100000000 ] - [ 0.0002266600000000, -0.0001725500000000, -0.0002462000000000 ] - [ 0.0451081400000000, 0.1221278900000000, -0.0876302800000000 ] - [ 0.0002532400000000, 0.0004053400000000, 0.0001724500000000 ] - [ -0.0005103500000000, -0.0066857800000000, 0.0006035300000000 ] - [ -0.0000712400000000, -0.0002490300000000, 0.0002788500000000 ] - [ -0.0004982200000000, 0.0032433200000000, 0.0016807600000000 ] - [ -0.0002165600000000, 0.0004524400000000, 0.0000191800000000 ] - [ -0.0005066100000000, -0.0015336200000000, 0.0000333400000000 ] - [ -0.0002516400000000, 0.0000339600000000, 0.0000544600000000 ] - [ -0.0039187000000000, 0.0027138600000000, -0.0035537200000000 ] - [ 0.0009580700000000, 0.0005432300000000, -0.0000328800000000 ] - [ 0.0030517000000000, -0.0043316900000000, 0.0024163000000000 ] - [ 0.0002486100000000, 0.0000418300000000, 0.0002352900000000 ] - [ -0.0008159400000000, -0.0005188500000000, 0.0012246500000000 ] - [ 0.0006021900000000, -0.0000367300000000, -0.0000697500000000 ] - [ 0.0005367600000000, -0.0009551500000000, -0.0003461200000000 ] - [ 0.0002738900000000, -0.0004004700000000, -0.0001842500000000 ] - [ -0.0178406000000000, 0.2874390500000000, -0.0275511700000000 ] - [ -0.0002359000000000, 0.0002196400000000, 0.0001258500000000 ] - [ -0.0005492300000000, -0.0091944800000000, 0.0002560900000000 ] - [ -0.0002023900000000, -0.0007123100000000, 0.0000366000000000 ] - [ -0.0007524900000000, -0.0009908700000000, 0.0007408300000000 ] - [ -0.0000084300000000, -0.0001431100000000, -0.0003293500000000 ] - [ 0.0003951700000000, 0.0001847100000000, -0.0010698500000000 ] - [ 0.0001220400000000, -0.0000440700000000, -0.0004643800000000 ] - [ 0.0023593500000000, 0.0037988200000000, 0.0007275600000000 ] - [ 0.0000054700000000, 0.0010826600000000, 0.0011119400000000 ] - [ 0.0003741900000000, -0.0022772700000000, -0.0002166100000000 ] - [ 0.0000960100000000, -0.0010759000000000, 0.0006180000000000 ] - [ 0.0005973800000000, 0.0004822800000000, -0.0004261500000000 ] - [ 0.0000508800000000, 0.0003856400000000, -0.0000116000000000 ] - [ -0.0007704800000000, -0.0005665300000000, 0.0012064000000000 ] - [ 0.0003344900000000, -0.0001340600000000, 0.0001140600000000 ] - [ -0.0277563000000000, 0.0815410200000000, 0.0306697900000000 ] - [ 0.0000081700000000, 0.0003368600000000, -0.0004509600000000 ] - [ -0.0003265700000000, -0.0049441500000000, 0.0008326400000000 ] - [ 0.0002152600000000, -0.0001333900000000, -0.0003311000000000 ] - [ 0.0102095100000000, 0.0098375300000000, -0.0006910800000000 ] - [ -0.0007251900000000, 0.0001863900000000, -0.0002033000000000 ] - [ -0.0151206600000000, 0.0079254000000000, 0.0052894500000000 ] - [ 0.0012850300000000, -0.0003636300000000, -0.0003209000000000 ] - [ -0.0011784200000000, -0.0085449700000000, -0.0034559000000000 ] - [ -0.0004122600000000, -0.0005864400000000, 0.0001570400000000 ] - [ -0.0002994900000000, 0.0026394900000000, 0.0012044300000000 ] - [ -0.0003833500000000, 0.0001083500000000, 0.0002567200000000 ] - [ 0.0013912400000000, 0.0038294900000000, -0.0186284900000000 ] - [ -0.0005952500000000, 0.0000416500000000, 0.0000526800000000 ] - [ 0.0016361400000000, 0.0067217800000000, 0.0039409900000000 ] - [ -0.0006129500000000, 0.0004398700000000, 0.0001328500000000 ] - [ 0.0010115600000000, -0.0010573100000000, -0.0009063600000000 ] - [ -0.0002125000000000, -0.0001090000000000, -0.0000423100000000 ] - [ 0.0000752800000000, 0.0014416600000000, -0.0006846100000000 ] - [ 0.0001613600000000, 0.0005728000000000, -0.0001035600000000 ] - [ -0.0133417600000000, 0.0149716000000000, -0.0072199000000000 ] - [ 0.0000312900000000, 0.0001801400000000, -0.0000713100000000 ] - [ 0.0139416600000000, 0.0129749200000000, 0.0080341800000000 ] - [ -0.0013342400000000, -0.0001655600000000, 0.0000557000000000 ] - [ 0.0013338300000000, -0.0017750100000000, -0.0000984100000000 ] - [ 0.0000162200000000, -0.0028662300000000, 0.0004746200000000 ] - [ 0.0004026900000000, 0.0012177900000000, 0.0005801600000000 ] - [ 0.0004772300000000, 0.0020301700000000, 0.0003575600000000 ] - [ -0.0015508700000000, -0.0005367300000000, -0.0011280700000000 ] - [ 0.0008371000000000, -0.0017718000000000, -0.0008686100000000 ] - [ 0.0009503100000000, 0.0011101600000000, 0.0003558500000000 ] - [ -0.0014202900000000, 0.0024088100000000, 0.0004879600000000 ] - [ -0.0005602300000000, -0.0011930400000000, 0.0014006300000000 ] - [ -0.0004201200000000, -0.0003110600000000, -0.0001881400000000 ] - [ 0.0002330200000000, 0.0013441500000000, -0.0004627600000000 ] - [ -0.0005480400000000, 0.0003895600000000, -0.0002366100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0053897100000000, 0.5016721400000000, -0.0851130600000000 ] - [ 0.0002488900000000, 0.0003004300000000, -0.0004248700000000 ] - [ 0.0005966700000000, -0.0093735000000000, 0.0012514600000000 ] - [ 0.0002318600000000, -0.0008189300000000, -0.0001910000000000 ] - [ -0.0010767100000000, -0.0011147600000000, 0.0013625100000000 ] - [ 0.0002339200000000, -0.0002449900000000, 0.0001260800000000 ] - [ 0.0005437600000000, -0.0011205900000000, -0.0010441800000000 ] - [ -0.0001562100000000, -0.0002467700000000, 0.0000169900000000 ] - [ -0.0015804200000000, 0.0097228400000000, -0.0009147200000000 ] - [ 0.0002534100000000, 0.0009166400000000, 0.0001354500000000 ] - [ 0.0000836000000000, -0.0050707100000000, 0.0009995800000000 ] - [ -0.0002737000000000, -0.0002610600000000, 0.0004906900000000 ] - [ -0.0003053600000000, 0.0038262200000000, 0.0004829800000000 ] - [ 0.0002174600000000, 0.0004433500000000, -0.0003427100000000 ] - [ -0.0002390500000000, -0.0017513500000000, -0.0000199300000000 ] - [ 0.0001764900000000, 0.0000581100000000, -0.0003122300000000 ] - [ 0.0109528100000000, 0.0094314800000000, -0.0227642400000000 ] - [ 0.0002105600000000, 0.0011133000000000, -0.0000446500000000 ] - [ -0.0011856600000000, -0.0032652200000000, 0.0028130400000000 ] - [ 0.0003287700000000, -0.0000531900000000, 0.0001610700000000 ] - [ 0.0001045600000000, 0.0008666500000000, -0.0002483300000000 ] - [ -0.0000142500000000, 0.0013339500000000, -0.0006039100000000 ] - [ -0.0005687600000000, 0.0001411000000000, 0.0004833200000000 ] - [ 0.0001257700000000, -0.0003682400000000, -0.0002716000000000 ] - [ -0.0001708500000000, 0.0039947200000000, -0.0027229200000000 ] - [ -0.0001446500000000, 0.0061680400000000, 0.0012452800000000 ] - [ 0.0001732700000000, -0.0039239200000000, 0.0000337500000000 ] - [ 0.0000582400000000, -0.0046574700000000, 0.0002123400000000 ] - [ -0.0006130200000000, -0.0027693600000000, 0.0014200000000000 ] - [ 0.0000488100000000, -0.0006508200000000, 0.0000936300000000 ] - [ 0.0007622000000000, -0.0011214500000000, -0.0014469000000000 ] - [ 0.0002672300000000, -0.0004089100000000, 0.0000263400000000 ] - [ 0.0004724100000000, -0.0005281900000000, -0.0004504300000000 ] - [ -0.0005352700000000, -0.0000458300000000, 0.0000731800000000 ] - [ -0.0001318500000000, -0.0004801100000000, -0.0005880000000000 ] - [ 0.0004244700000000, -0.0008836700000000, -0.0003302400000000 ] - [ -0.0012916700000000, -0.0137852000000000, 0.0070355600000000 ] - [ -0.0006014700000000, -0.0009717800000000, 0.0003501200000000 ] - [ 0.0000309200000000, 0.0030386500000000, -0.0007397700000000 ] - [ -0.0001570500000000, -0.0000434500000000, 0.0002207500000000 ] - [ 0.0004193000000000, -0.0010579200000000, 0.0041094400000000 ] - [ -0.0002351800000000, 0.0002908400000000, 0.0004632900000000 ] - [ -0.0001526300000000, 0.0028753800000000, -0.0008000700000000 ] - [ -0.0001805600000000, 0.0007101400000000, 0.0003568500000000 ] - [ 0.0027847800000000, -0.0018814200000000, 0.0011076300000000 ] - [ -0.0030495000000000, -0.0027923500000000, -0.0007763100000000 ] - [ -0.0027587000000000, 0.0040431700000000, -0.0005317700000000 ] - [ 0.0032258000000000, 0.0041919800000000, -0.0009430700000000 ] - [ -0.0050000000000000, 0.0059148800000000, 0.0083026200000000 ] - [ 0.0000129600000000, 0.0001652800000000, -0.0002174400000000 ] - [ 0.0018878700000000, 0.0022924400000000, -0.0018821900000000 ] - [ -0.0006796900000000, 0.0007556300000000, -0.0003338100000000 ] - [ -0.0000010800000000, -0.0000847500000000, 0.0000857800000000 ] - [ -0.0004069400000000, -0.0004623500000000, 0.0005687000000000 ] - [ 0.0002066000000000, 0.0009891400000000, 0.0000028300000000 ] - [ 0.0002866600000000, 0.0012361800000000, 0.0003451000000000 ] - [ -0.0014895700000000, -0.0029594000000000, 0.0006250900000000 ] - [ 0.0049137100000000, -0.0046963400000000, 0.0000954000000000 ] - [ 0.0010755300000000, 0.0022527800000000, 0.0007168600000000 ] - [ -0.0023557600000000, 0.0033107800000000, 0.0006141800000000 ] - [ -0.0022096200000000, 0.0002486600000000, -0.0034916000000000 ] - [ -0.0000076100000000, -0.0004871800000000, -0.0002830900000000 ] - [ 0.0000944300000000, 0.0009890000000000, 0.0022635700000000 ] - [ -0.0003155000000000, -0.0003542700000000, -0.0000533300000000 ] - [ 0.0006343400000000, 0.0003090700000000, 0.0010883700000000 ] - [ -0.0001871800000000, -0.0000093700000000, 0.0002932900000000 ] - [ 0.0002816300000000, -0.0003367400000000, -0.0035787600000000 ] - [ -0.0001142500000000, -0.0001002300000000, 0.0002518800000000 ] - [ -0.0015587300000000, -0.0047999400000000, -0.0015271300000000 ] - [ -0.0002222100000000, -0.0004671300000000, -0.0001902600000000 ] - [ 0.0009261500000000, 0.0028182700000000, -0.0012593100000000 ] - [ -0.0001848500000000, 0.0003263300000000, -0.0004352600000000 ] - [ -0.0006930400000000, -0.0015450600000000, 0.0028430100000000 ] - [ 0.0000887400000000, -0.0000590900000000, 0.0000479800000000 ] - [ 0.0006303700000000, 0.0016311400000000, -0.0015560100000000 ] - [ -0.0002184200000000, 0.0003399500000000, -0.0002876100000000 ] - [ -0.0474294300000000, -0.1238635700000000, 0.0927314700000000 ] - [ -0.0002619800000000, -0.0002360800000000, 0.0003601600000000 ] - [ 0.0005020200000000, 0.0068453400000000, -0.0000724900000000 ] - [ 0.0000614600000000, 0.0004174700000000, 0.0002537400000000 ] - [ -0.0001870400000000, -0.0027596900000000, -0.0015687500000000 ] - [ -0.0004698300000000, 0.0000183300000000, 0.0000811000000000 ] - [ -0.0001795100000000, 0.0019959300000000, 0.0000667900000000 ] - [ -0.0004348500000000, 0.0004348300000000, 0.0000458800000000 ] - [ 0.0046113600000000, -0.0022609000000000, 0.0034571000000000 ] - [ -0.0002697400000000, -0.0000735800000000, -0.0000673900000000 ] - [ -0.0023577200000000, 0.0047900600000000, -0.0025099700000000 ] - [ 0.0004352700000000, 0.0004283500000000, -0.0003348400000000 ] - [ 0.0014940800000000, 0.0000420700000000, -0.0013146900000000 ] - [ 0.0000851900000000, -0.0004342600000000, -0.0000305400000000 ] - [ 0.0001510600000000, 0.0004852200000000, 0.0002450500000000 ] - [ 0.0004111100000000, -0.0000687200000000, 0.0000832200000000 ] - [ 0.0152913000000000, -0.2668252400000000, 0.0249986000000000 ] - [ -0.0004505000000000, -0.0006876400000000, -0.0000249300000000 ] - [ -0.0001340300000000, 0.0087455500000000, -0.0001534000000000 ] - [ -0.0004837900000000, 0.0002404900000000, 0.0000637300000000 ] - [ 0.0006953900000000, 0.0007521400000000, -0.0014045800000000 ] - [ -0.0000490200000000, -0.0000900700000000, -0.0003371300000000 ] - [ -0.0004501400000000, -0.0004135100000000, 0.0004009700000000 ] - [ -0.0001788500000000, -0.0001878900000000, -0.0002026800000000 ] - [ -0.0023123900000000, -0.0040195800000000, -0.0000677500000000 ] - [ 0.0000529300000000, -0.0013119000000000, -0.0004442400000000 ] - [ -0.0003143500000000, 0.0020391700000000, 0.0008837000000000 ] - [ -0.0000422900000000, 0.0008410400000000, 0.0000555900000000 ] - [ -0.0005375500000000, -0.0002469900000000, 0.0010895700000000 ] - [ 0.0000056200000000, -0.0001517700000000, 0.0006790700000000 ] - [ 0.0008236500000000, 0.0007941200000000, -0.0005352000000000 ] - [ -0.0002771000000000, 0.0003648100000000, 0.0005515800000000 ] - [ 0.0299120800000000, -0.0827017800000000, -0.0339682800000000 ] - [ -0.0000662300000000, -0.0001033900000000, -0.0002165800000000 ] - [ 0.0002689800000000, 0.0051765500000000, -0.0014914800000000 ] - [ -0.0002718400000000, 0.0003662200000000, -0.0003357100000000 ] - [ -0.0097182300000000, -0.0103046700000000, 0.0004210800000000 ] - [ 0.0012711500000000, -0.0006505400000000, -0.0001007200000000 ] - [ 0.0155645700000000, -0.0083363100000000, -0.0055728900000000 ] - [ -0.0007348100000000, -0.0001087500000000, 0.0000174000000000 ] - [ 0.0006363800000000, 0.0080469400000000, 0.0037180300000000 ] - [ -0.0001330800000000, 0.0001166000000000, 0.0001462800000000 ] - [ -0.0002500900000000, -0.0030990600000000, -0.0008924400000000 ] - [ -0.0001617100000000, -0.0005762400000000, 0.0000476100000000 ] - [ -0.0019524600000000, -0.0033480800000000, 0.0188315800000000 ] - [ 0.0000500600000000, 0.0004253600000000, 0.0002506300000000 ] - [ -0.0021734400000000, -0.0062441700000000, -0.0036657300000000 ] - [ 0.0000667300000000, 0.0000306300000000, 0.0001704500000000 ] - [ -0.0004635600000000, 0.0015240400000000, 0.0005999100000000 ] - [ 0.0007575300000000, 0.0005763100000000, -0.0002608800000000 ] - [ 0.0004679800000000, -0.0009694400000000, 0.0003779100000000 ] - [ 0.0003852600000000, -0.0001028500000000, -0.0002000300000000 ] - [ 0.0128196500000000, -0.0151422000000000, 0.0070942200000000 ] - [ -0.0006814100000000, -0.0002824400000000, -0.0001274900000000 ] - [ -0.0144921500000000, -0.0129883800000000, -0.0081742800000000 ] - [ 0.0006797900000000, 0.0000555000000000, -0.0002543900000000 ] - [ -0.0006711700000000, 0.0016601000000000, 0.0002933400000000 ] - [ 0.0006262400000000, 0.0027515100000000, -0.0002815800000000 ] - [ 0.0002499200000000, -0.0013194900000000, -0.0003769100000000 ] - [ 0.0001775500000000, -0.0021319700000000, -0.0001536300000000 ] - [ 0.0022002300000000, 0.0006363100000000, 0.0013258800000000 ] - [ -0.0001764500000000, 0.0018731800000000, 0.0010664300000000 ] - [ -0.0003003400000000, -0.0010005200000000, -0.0001584300000000 ] - [ 0.0020661900000000, -0.0022895500000000, -0.0002901400000000 ] - [ -0.0000933200000000, 0.0012901300000000, -0.0015987400000000 ] - [ -0.0002310200000000, 0.0004171300000000, -0.0000110600000000 ] - [ -0.0008832400000000, -0.0012331300000000, 0.0002598300000000 ] - [ -0.0001043100000000, -0.0002826900000000, 0.0000368300000000 ]- atom: 1 displacement: [ -0.0004367987813524, 0.0000000000000000, 0.0099904557866300 ] forces: - [ 0.1131124700000000, 0.0908313300000000, -0.3504116900000000 ] - [ -0.0003101300000000, -0.0000642900000000, -0.0002805400000000 ] - [ 0.0008259400000000, -0.0017347500000000, -0.0009015500000000 ] - [ -0.0000988900000000, -0.0002991900000000, -0.0003046000000000 ] - [ -0.0015181400000000, -0.0015763200000000, 0.0025740000000000 ] - [ -0.0001550200000000, -0.0004771700000000, 0.0005001800000000 ] - [ -0.0012381600000000, 0.0009154500000000, 0.0025951600000000 ] - [ -0.0002324000000000, -0.0003847000000000, 0.0004959000000000 ] - [ 0.0061003800000000, 0.0013591700000000, -0.0037442400000000 ] - [ -0.0012886500000000, 0.0003764100000000, 0.0008505000000000 ] - [ 0.0007592700000000, -0.0004987800000000, -0.0010581500000000 ] - [ -0.0002404400000000, -0.0000034900000000, 0.0002636500000000 ] - [ -0.0003139600000000, 0.0010061500000000, 0.0013028400000000 ] - [ -0.0002347000000000, 0.0001486500000000, 0.0002084000000000 ] - [ -0.0011189400000000, 0.0004891600000000, 0.0025524700000000 ] - [ -0.0002977300000000, 0.0001805800000000, 0.0003089000000000 ] - [ -0.0189602800000000, 0.0045982800000000, 0.0368358500000000 ] - [ -0.0000177300000000, 0.0006254900000000, -0.0002429400000000 ] - [ 0.0010195000000000, 0.0006267400000000, -0.0016010400000000 ] - [ 0.0000104600000000, 0.0004558600000000, -0.0000762000000000 ] - [ -0.0008190700000000, 0.0004278900000000, 0.0012032900000000 ] - [ -0.0006194200000000, -0.0001016000000000, 0.0011502700000000 ] - [ -0.0008529200000000, 0.0007255800000000, 0.0013766100000000 ] - [ -0.0004547800000000, 0.0011316500000000, 0.0011842300000000 ] - [ -0.0011304000000000, 0.0025103500000000, -0.0036593800000000 ] - [ -0.0016988900000000, -0.0012894400000000, -0.0024300200000000 ] - [ 0.0005874900000000, -0.0021210400000000, -0.0012642400000000 ] - [ 0.0001256800000000, -0.0009477800000000, -0.0008790800000000 ] - [ -0.0008940500000000, -0.0039180700000000, 0.0027040700000000 ] - [ -0.0003946800000000, -0.0007253000000000, 0.0008054900000000 ] - [ -0.0002368300000000, 0.0024857700000000, 0.0013280200000000 ] - [ -0.0002446100000000, -0.0004062300000000, 0.0007052600000000 ] - [ 0.0002318500000000, -0.0009296900000000, -0.0011722600000000 ] - [ 0.0009248200000000, -0.0011054700000000, -0.0016555200000000 ] - [ 0.0002975400000000, -0.0006499200000000, -0.0009087600000000 ] - [ 0.0003327000000000, -0.0001451500000000, -0.0010679500000000 ] - [ 0.0048639900000000, 0.0080304600000000, -0.0109727800000000 ] - [ -0.0000249200000000, -0.0006654400000000, 0.0004750800000000 ] - [ -0.0003236300000000, -0.0016815900000000, 0.0004865700000000 ] - [ 0.0000316500000000, -0.0005737000000000, 0.0004235200000000 ] - [ -0.0023740600000000, -0.0030693200000000, -0.0011253000000000 ] - [ 0.0004792300000000, 0.0002412800000000, 0.0001409100000000 ] - [ -0.0008895700000000, 0.0020280500000000, 0.0005273800000000 ] - [ 0.0003576300000000, 0.0005722300000000, 0.0000895600000000 ] - [ 0.0036868500000000, -0.0008685900000000, 0.0014477600000000 ] - [ 0.0008279900000000, -0.0001063300000000, 0.0022246700000000 ] - [ -0.0001509000000000, 0.0014169200000000, -0.0001186300000000 ] - [ 0.0004849100000000, 0.0010112000000000, 0.0000157700000000 ] - [ 0.0051669100000000, -0.0081149200000000, -0.0119293600000000 ] - [ -0.0000358700000000, 0.0004275900000000, -0.0000994600000000 ] - [ -0.0003049700000000, 0.0015868800000000, -0.0001310000000000 ] - [ -0.0000948000000000, 0.0005942200000000, -0.0001723700000000 ] - [ 0.0001488100000000, 0.0008228800000000, -0.0006452900000000 ] - [ 0.0010165000000000, 0.0010927800000000, -0.0011904500000000 ] - [ 0.0004213500000000, 0.0006983500000000, -0.0004324000000000 ] - [ 0.0002319800000000, 0.0001206500000000, -0.0005835500000000 ] - [ 0.0006428800000000, -0.0016744200000000, 0.0011257200000000 ] - [ 0.0002053800000000, 0.0000028300000000, 0.0021668600000000 ] - [ 0.0021479000000000, 0.0015573300000000, 0.0007592500000000 ] - [ -0.0009644600000000, 0.0005281000000000, 0.0011468000000000 ] - [ -0.0036730600000000, 0.0026805600000000, -0.0036240600000000 ] - [ 0.0007222500000000, -0.0001168800000000, -0.0005879700000000 ] - [ -0.0006497600000000, -0.0015716500000000, 0.0002457200000000 ] - [ 0.0003676700000000, -0.0002708200000000, -0.0004040400000000 ] - [ -0.0004450800000000, -0.0008155200000000, -0.0027052400000000 ] - [ 0.0004428900000000, -0.0002604600000000, -0.0000949500000000 ] - [ -0.0000392700000000, -0.0004229000000000, -0.0012941800000000 ] - [ 0.0003650400000000, -0.0001559700000000, -0.0000404300000000 ] - [ -0.0047673400000000, -0.0007162300000000, -0.0014285600000000 ] - [ 0.0008713800000000, 0.0000370400000000, -0.0006931600000000 ] - [ -0.0011901800000000, -0.0008795500000000, -0.0000585200000000 ] - [ 0.0005648600000000, -0.0001986500000000, -0.0003703800000000 ] - [ 0.0019264300000000, -0.0030133200000000, -0.0019655900000000 ] - [ 0.0001574300000000, -0.0000845800000000, -0.0001606800000000 ] - [ 0.0010405100000000, 0.0017830100000000, -0.0023437700000000 ] - [ 0.0001655600000000, -0.0000226600000000, -0.0001995800000000 ] - [ -0.0690755500000000, -0.0959345700000000, 0.1797255600000000 ] - [ 0.0005750200000000, 0.0000204400000000, 0.0004839000000000 ] - [ -0.0007557400000000, 0.0008211900000000, 0.0012149300000000 ] - [ 0.0003715800000000, 0.0001511700000000, 0.0004201800000000 ] - [ -0.0012453900000000, -0.0005404700000000, -0.0036108500000000 ] - [ -0.0000392400000000, 0.0002942300000000, -0.0001698600000000 ] - [ -0.0004522000000000, 0.0000607800000000, -0.0010851300000000 ] - [ -0.0000578700000000, 0.0002825800000000, -0.0001582000000000 ] - [ -0.0025188400000000, -0.0010701800000000, 0.0027843200000000 ] - [ 0.0014254200000000, -0.0000047800000000, 0.0001817500000000 ] - [ -0.0005714800000000, 0.0009691400000000, 0.0007039600000000 ] - [ 0.0009649900000000, 0.0006563500000000, 0.0002957500000000 ] - [ 0.0019081400000000, 0.0007530500000000, -0.0025838300000000 ] - [ 0.0002386700000000, -0.0000829500000000, -0.0003375400000000 ] - [ 0.0004687700000000, -0.0012247400000000, -0.0009674700000000 ] - [ 0.0004163500000000, -0.0000894400000000, -0.0002594200000000 ] - [ -0.0020373100000000, -0.0230216700000000, 0.0590868100000000 ] - [ 0.0001748000000000, -0.0002961300000000, 0.0002955900000000 ] - [ -0.0020079800000000, 0.0011117000000000, 0.0027155600000000 ] - [ 0.0002036300000000, -0.0001717300000000, 0.0003310000000000 ] - [ 0.0007116500000000, 0.0007042000000000, -0.0034243900000000 ] - [ 0.0004483400000000, 0.0000115000000000, -0.0010326900000000 ] - [ 0.0003209300000000, -0.0006230500000000, -0.0017373200000000 ] - [ 0.0003620300000000, -0.0000326700000000, -0.0009048600000000 ] - [ -0.0008437400000000, -0.0002272600000000, 0.0046364600000000 ] - [ 0.0010607500000000, -0.0001580700000000, 0.0011902500000000 ] - [ -0.0005710200000000, 0.0007806700000000, 0.0019239300000000 ] - [ 0.0000781300000000, -0.0001561000000000, 0.0009930800000000 ] - [ 0.0009154700000000, 0.0001767300000000, -0.0013646300000000 ] - [ 0.0003162200000000, 0.0002457800000000, -0.0006843000000000 ] - [ 0.0012628600000000, 0.0009199100000000, -0.0016928500000000 ] - [ 0.0002611300000000, 0.0000880700000000, -0.0006060400000000 ] - [ -0.0353835600000000, 0.0291936600000000, 0.0871636900000000 ] - [ 0.0004547400000000, -0.0000026500000000, -0.0000404700000000 ] - [ -0.0011120400000000, 0.0008528000000000, 0.0012647000000000 ] - [ 0.0002084100000000, 0.0001194400000000, -0.0001365200000000 ] - [ -0.0067611700000000, -0.0089213800000000, -0.0050982400000000 ] - [ -0.0004835300000000, 0.0002385900000000, -0.0008845200000000 ] - [ 0.0003723200000000, 0.0033334800000000, -0.0027368100000000 ] - [ -0.0004241900000000, -0.0004989300000000, -0.0007296000000000 ] - [ -0.0002359800000000, 0.0044860600000000, 0.0193553500000000 ] - [ -0.0009035800000000, -0.0001655600000000, 0.0001747900000000 ] - [ 0.0004874100000000, -0.0011807200000000, 0.0005233800000000 ] - [ -0.0008194500000000, -0.0002910300000000, 0.0002026800000000 ] - [ 0.0032714200000000, -0.0093210500000000, 0.0057368100000000 ] - [ -0.0011085800000000, 0.0001074900000000, 0.0000867400000000 ] - [ 0.0042034300000000, 0.0071396500000000, 0.0024373300000000 ] - [ -0.0011469500000000, 0.0003478300000000, 0.0000711900000000 ] - [ 0.0009479400000000, 0.0005808300000000, 0.0031349100000000 ] - [ -0.0005439300000000, 0.0003151600000000, 0.0006142700000000 ] - [ 0.0007436300000000, 0.0002316600000000, 0.0009730500000000 ] - [ -0.0002589600000000, 0.0002424400000000, 0.0003005200000000 ] - [ 0.0094783400000000, -0.0051574200000000, -0.0107550300000000 ] - [ -0.0020383100000000, -0.0002426700000000, -0.0004091000000000 ] - [ 0.0004899200000000, 0.0013816500000000, -0.0029026900000000 ] - [ -0.0012104500000000, 0.0001711100000000, -0.0004183200000000 ] - [ -0.0024899300000000, 0.0007310100000000, 0.0013398700000000 ] - [ 0.0033215600000000, 0.0005393500000000, -0.0000008800000000 ] - [ -0.0006330900000000, -0.0006839900000000, 0.0003788000000000 ] - [ 0.0011295200000000, -0.0003302700000000, -0.0000501400000000 ] - [ 0.0012673700000000, -0.0004141400000000, -0.0000718800000000 ] - [ -0.0027570200000000, -0.0022756300000000, 0.0007155400000000 ] - [ 0.0008377900000000, 0.0003874500000000, -0.0000899700000000 ] - [ -0.0025523800000000, 0.0026844800000000, 0.0007394700000000 ] - [ 0.0000409100000000, 0.0002915000000000, 0.0058180800000000 ] - [ -0.0005985800000000, 0.0001379500000000, 0.0002343700000000 ] - [ 0.0001963000000000, 0.0001117500000000, 0.0013609800000000 ] - [ -0.0006652100000000, -0.0000185200000000, 0.0001431700000000 ]- atom: 1 displacement: [ 0.0004367987813524, 0.0000000000000000, -0.0099904557866300 ] forces: - [ -0.1120200400000000, -0.0787864500000000, 0.3460968800000000 ] - [ 0.0005456400000000, -0.0004136900000000, -0.0002305600000000 ] - [ -0.0005869900000000, 0.0012379600000000, 0.0003914800000000 ] - [ 0.0003349100000000, -0.0001796600000000, -0.0002061800000000 ] - [ 0.0012859000000000, 0.0010850400000000, -0.0020692400000000 ] - [ -0.0000787100000000, -0.0000035100000000, 0.0000107100000000 ] - [ 0.0009982500000000, -0.0013843300000000, -0.0020729300000000 ] - [ -0.0000005000000000, -0.0000935000000000, 0.0000132400000000 ] - [ -0.0063494100000000, -0.0008850100000000, 0.0043273200000000 ] - [ 0.0010481500000000, 0.0001021200000000, -0.0003348200000000 ] - [ -0.0009962200000000, 0.0009722400000000, 0.0015727400000000 ] - [ 0.0000025300000000, 0.0004834100000000, 0.0002493300000000 ] - [ 0.0005496100000000, -0.0005129000000000, -0.0018123600000000 ] - [ 0.0004690100000000, 0.0003306700000000, -0.0007195500000000 ] - [ 0.0013493300000000, -0.0000150800000000, -0.0030569100000000 ] - [ 0.0005320100000000, 0.0002982200000000, -0.0008198800000000 ] - [ 0.0195022600000000, -0.0039111900000000, -0.0367067700000000 ] - [ 0.0002366300000000, 0.0004175000000000, 0.0004779300000000 ] - [ -0.0008065300000000, 0.0004169800000000, 0.0018451100000000 ] - [ 0.0002086500000000, 0.0005869200000000, 0.0003108000000000 ] - [ 0.0005973400000000, 0.0006188200000000, -0.0014334400000000 ] - [ 0.0004011700000000, 0.0011460500000000, -0.0013820300000000 ] - [ 0.0006325600000000, 0.0003142700000000, -0.0016088500000000 ] - [ 0.0002347400000000, -0.0000884700000000, -0.0014137300000000 ] - [ 0.0009205900000000, -0.0035470000000000, 0.0034198500000000 ] - [ 0.0014586900000000, 0.0002552600000000, 0.0021957100000000 ] - [ -0.0008050100000000, 0.0010752700000000, 0.0010309100000000 ] - [ -0.0003451200000000, -0.0001027900000000, 0.0006461700000000 ] - [ 0.0010999800000000, 0.0028453700000000, -0.0024634800000000 ] - [ 0.0006137500000000, -0.0003182500000000, -0.0005728100000000 ] - [ 0.0004559200000000, -0.0034962700000000, -0.0010947600000000 ] - [ 0.0004636200000000, -0.0006354900000000, -0.0004727800000000 ] - [ 0.0001040700000000, -0.0000919700000000, 0.0004883400000000 ] - [ -0.0005904900000000, 0.0000814200000000, 0.0009660200000000 ] - [ 0.0000373400000000, -0.0003780600000000, 0.0002223500000000 ] - [ -0.0000003200000000, -0.0008810000000000, 0.0003825100000000 ] - [ -0.0052401800000000, -0.0090338600000000, 0.0116758800000000 ] - [ -0.0003072500000000, -0.0003589900000000, 0.0002076100000000 ] - [ -0.0000094000000000, 0.0006562400000000, 0.0001929300000000 ] - [ -0.0003638400000000, -0.0004508400000000, 0.0002599100000000 ] - [ 0.0020220100000000, 0.0040584700000000, 0.0018025000000000 ] - [ -0.0008109800000000, 0.0007825300000000, 0.0005440000000000 ] - [ 0.0005583600000000, -0.0009894600000000, 0.0001606200000000 ] - [ -0.0006902900000000, 0.0004529600000000, 0.0005950800000000 ] - [ -0.0033535900000000, 0.0018889000000000, -0.0021283400000000 ] - [ -0.0004912400000000, 0.0011205900000000, -0.0028990700000000 ] - [ 0.0004778100000000, -0.0003865400000000, -0.0005657000000000 ] - [ -0.0001435600000000, 0.0000219700000000, -0.0007005300000000 ] - [ -0.0053891400000000, 0.0089237000000000, 0.0113004900000000 ] - [ -0.0002317600000000, 0.0004238500000000, -0.0003821100000000 ] - [ 0.0000363200000000, -0.0007401500000000, -0.0003573000000000 ] - [ -0.0001730300000000, 0.0002561900000000, -0.0003092800000000 ] - [ 0.0001250300000000, 0.0000270200000000, 0.0011256600000000 ] - [ -0.0007499100000000, -0.0002412600000000, 0.0016687100000000 ] - [ -0.0001510800000000, 0.0001548900000000, 0.0009107300000000 ] - [ 0.0000367900000000, 0.0007300600000000, 0.0010600100000000 ] - [ -0.0003777600000000, 0.0008195600000000, -0.0006422100000000 ] - [ 0.0000823700000000, -0.0008574700000000, -0.0016780600000000 ] - [ -0.0018814800000000, -0.0024059500000000, -0.0002758700000000 ] - [ 0.0012284000000000, -0.0013719200000000, -0.0006625300000000 ] - [ 0.0033828700000000, -0.0035031800000000, 0.0031216900000000 ] - [ -0.0009895600000000, -0.0007338300000000, 0.0001093100000000 ] - [ 0.0003769400000000, 0.0007079000000000, -0.0007113400000000 ] - [ -0.0006360800000000, -0.0005812900000000, -0.0000740600000000 ] - [ 0.0004334700000000, 0.0006493600000000, 0.0032313600000000 ] - [ -0.0004507800000000, 0.0000915500000000, 0.0006266000000000 ] - [ 0.0000315700000000, 0.0002459200000000, 0.0018235700000000 ] - [ -0.0003733600000000, -0.0000133500000000, 0.0005723300000000 ] - [ 0.0048137300000000, 0.0005541000000000, 0.0008916700000000 ] - [ -0.0008610600000000, -0.0002047500000000, 0.0001572200000000 ] - [ 0.0011984800000000, 0.0007126100000000, -0.0004787500000000 ] - [ -0.0005539600000000, 0.0000292300000000, -0.0001642600000000 ] - [ -0.0018990900000000, 0.0031600900000000, 0.0014302800000000 ] - [ -0.0001493300000000, 0.0002535100000000, -0.0003684100000000 ] - [ -0.0010349600000000, -0.0016129100000000, 0.0018186500000000 ] - [ -0.0001572300000000, 0.0001923500000000, -0.0003312800000000 ] - [ 0.0641543100000000, 0.0889026400000000, -0.1718572400000000 ] - [ -0.0005828000000000, 0.0001484400000000, 0.0000498600000000 ] - [ 0.0007453000000000, -0.0006376400000000, -0.0006739600000000 ] - [ -0.0003792000000000, 0.0000186800000000, 0.0001131100000000 ] - [ 0.0005543600000000, 0.0009980800000000, 0.0036906000000000 ] - [ -0.0006463000000000, 0.0001753600000000, 0.0002701700000000 ] - [ -0.0002334800000000, 0.0004120400000000, 0.0011840900000000 ] - [ -0.0006279400000000, 0.0001874300000000, 0.0002585200000000 ] - [ 0.0032046300000000, 0.0015388300000000, -0.0029007500000000 ] - [ -0.0007362200000000, 0.0004744400000000, -0.0002826300000000 ] - [ 0.0012533400000000, -0.0004963100000000, -0.0008140800000000 ] - [ -0.0002784000000000, -0.0001872600000000, -0.0003977200000000 ] - [ -0.0012123600000000, -0.0012083000000000, 0.0024874000000000 ] - [ 0.0004459900000000, -0.0003859700000000, 0.0002369200000000 ] - [ 0.0002189300000000, 0.0007462300000000, 0.0008657100000000 ] - [ 0.0002694500000000, -0.0003808700000000, 0.0001596700000000 ] - [ 0.0015303700000000, 0.0209142500000000, -0.0585706900000000 ] - [ -0.0008597600000000, -0.0001745500000000, -0.0001951600000000 ] - [ 0.0013210300000000, -0.0015695100000000, -0.0026132000000000 ] - [ -0.0008889300000000, -0.0002982000000000, -0.0002304900000000 ] - [ -0.0007634500000000, -0.0009284800000000, 0.0027461200000000 ] - [ -0.0005045700000000, -0.0002434900000000, 0.0003655700000000 ] - [ -0.0003794100000000, 0.0003817500000000, 0.0010691900000000 ] - [ -0.0004183200000000, -0.0001999400000000, 0.0002379400000000 ] - [ 0.0008793200000000, -0.0000114500000000, -0.0039922900000000 ] - [ -0.0009987600000000, -0.0000752500000000, -0.0005278500000000 ] - [ 0.0006267300000000, -0.0010130500000000, -0.0012585900000000 ] - [ -0.0000199200000000, -0.0000764200000000, -0.0003262600000000 ] - [ -0.0008545000000000, 0.0000547800000000, 0.0020275400000000 ] - [ -0.0002616500000000, -0.0000144000000000, 0.0013515600000000 ] - [ -0.0012052100000000, -0.0006837500000000, 0.0023600100000000 ] - [ -0.0002044200000000, 0.0001446900000000, 0.0012712100000000 ] - [ 0.0389237000000000, -0.0323120200000000, -0.0915611700000000 ] - [ -0.0005108200000000, 0.0002353200000000, -0.0006281700000000 ] - [ 0.0010585300000000, -0.0006059800000000, -0.0019386400000000 ] - [ -0.0002649400000000, 0.0001134700000000, -0.0005320900000000 ] - [ 0.0072811100000000, 0.0084234100000000, 0.0047824400000000 ] - [ 0.0010270900000000, -0.0007061800000000, 0.0005786700000000 ] - [ 0.0001918800000000, -0.0038054800000000, 0.0024047800000000 ] - [ 0.0009647900000000, 0.0000289500000000, 0.0004250600000000 ] - [ -0.0003426400000000, -0.0049525300000000, -0.0188790400000000 ] - [ 0.0003570000000000, -0.0003031200000000, 0.0001271400000000 ] - [ -0.0010349400000000, 0.0007120800000000, -0.0002281500000000 ] - [ 0.0002729900000000, -0.0001779900000000, 0.0000995100000000 ] - [ -0.0038256700000000, 0.0098769300000000, -0.0054507600000000 ] - [ 0.0005610000000000, 0.0003610400000000, 0.0002182500000000 ] - [ -0.0047344700000000, -0.0066814200000000, -0.0021326400000000 ] - [ 0.0005987500000000, 0.0001208300000000, 0.0002334700000000 ] - [ -0.0004058100000000, -0.0001184800000000, -0.0034444200000000 ] - [ 0.0010897900000000, 0.0001527800000000, -0.0009154200000000 ] - [ -0.0001990300000000, 0.0002399900000000, -0.0012727500000000 ] - [ 0.0008046600000000, 0.0002271300000000, -0.0006024700000000 ] - [ -0.0101093900000000, 0.0050600200000000, 0.0104912500000000 ] - [ 0.0013860000000000, 0.0001354300000000, 0.0002085500000000 ] - [ -0.0011500500000000, -0.0015003800000000, 0.0026654800000000 ] - [ 0.0005593000000000, -0.0002769500000000, 0.0002174200000000 ] - [ 0.0031340600000000, -0.0008392800000000, -0.0011450200000000 ] - [ -0.0026524500000000, -0.0006409500000000, 0.0001916400000000 ] - [ 0.0012840800000000, 0.0005780700000000, -0.0001840900000000 ] - [ -0.0004742900000000, 0.0002210000000000, 0.0002453800000000 ] - [ -0.0006199600000000, 0.0005273700000000, 0.0002788500000000 ] - [ 0.0034124500000000, 0.0023848900000000, -0.0005094500000000 ] - [ -0.0001872300000000, -0.0002854300000000, 0.0002916900000000 ] - [ 0.0031946500000000, -0.0025703900000000, -0.0005375700000000 ] - [ -0.0006845200000000, -0.0001967600000000, -0.0060075600000000 ] - [ -0.0000574500000000, -0.0000324700000000, -0.0004329100000000 ] - [ -0.0008448400000000, -0.0000017100000000, -0.0015541800000000 ] - [ 0.0000109800000000, 0.0001253400000000, -0.0003414100000000 ]- atom: 17 displacement: [ 0.0099996587985401, 0.0000000000000000, -0.0000826069777877 ] forces: - [ 0.0210409800000000, -0.0113272200000000, -0.0187631100000000 ] - [ 0.0007524500000000, -0.0003414400000000, -0.0003518000000000 ] - [ -0.0007598000000000, 0.0010809500000000, 0.0006309700000000 ] - [ 0.0003812400000000, -0.0004592700000000, -0.0003413600000000 ] - [ 0.0001656400000000, -0.0000228900000000, -0.0004523100000000 ] - [ 0.0001878800000000, -0.0001415700000000, -0.0002496800000000 ] - [ 0.0001510800000000, -0.0007041600000000, -0.0004895300000000 ] - [ 0.0001135200000000, -0.0000016600000000, -0.0000874700000000 ] - [ 0.0030125300000000, 0.0002784700000000, -0.0005810000000000 ] - [ 0.0030058400000000, 0.0002676500000000, -0.0011901000000000 ] - [ -0.0003630400000000, -0.0000420500000000, 0.0009501900000000 ] - [ -0.0001000800000000, 0.0000776900000000, 0.0004990200000000 ] - [ 0.0000372600000000, 0.0009026500000000, -0.0006121300000000 ] - [ 0.0004673300000000, 0.0003984800000000, -0.0006002800000000 ] - [ 0.0001745700000000, -0.0004909300000000, -0.0012718800000000 ] - [ 0.0005318400000000, 0.0001772900000000, -0.0007489000000000 ] - [ -0.2230646000000000, 0.0286687900000000, 0.1106077700000000 ] - [ 0.0007468200000000, 0.0004723100000000, -0.0002202000000000 ] - [ -0.0009704800000000, -0.0005995900000000, 0.0023936400000000 ] - [ 0.0003523600000000, 0.0004149500000000, -0.0000451000000000 ] - [ -0.0000581500000000, 0.0002122900000000, -0.0002051500000000 ] - [ 0.0003994000000000, 0.0015598300000000, -0.0010262600000000 ] - [ -0.0000592100000000, 0.0007407000000000, -0.0002616400000000 ] - [ 0.0003949100000000, -0.0008680900000000, -0.0015339800000000 ] - [ 0.0011803900000000, -0.0008150100000000, -0.0011964700000000 ] - [ -0.0017014100000000, 0.0003594700000000, 0.0057141200000000 ] - [ -0.0000779500000000, -0.0004628600000000, 0.0000187600000000 ] - [ -0.0005084800000000, -0.0005630900000000, 0.0009099500000000 ] - [ 0.0007520900000000, -0.0004344000000000, -0.0015916400000000 ] - [ 0.0004334200000000, -0.0004392900000000, -0.0002550700000000 ] - [ 0.0002777900000000, -0.0010154200000000, -0.0006288700000000 ] - [ 0.0003907100000000, -0.0005488400000000, -0.0002160600000000 ] - [ -0.0000445300000000, -0.0006643000000000, -0.0005001400000000 ] - [ -0.0009840200000000, 0.0006058000000000, 0.0012591700000000 ] - [ 0.0000674300000000, -0.0002111900000000, -0.0003611000000000 ] - [ 0.0000745800000000, -0.0010353700000000, -0.0000802400000000 ] - [ 0.0578701900000000, 0.0250915100000000, -0.0143638000000000 ] - [ -0.0009160700000000, -0.0005421800000000, 0.0003297700000000 ] - [ 0.0014269000000000, 0.0021004000000000, -0.0005126000000000 ] - [ -0.0007309200000000, -0.0004536000000000, 0.0003311100000000 ] - [ 0.0005673600000000, 0.0010077400000000, 0.0011800600000000 ] - [ -0.0006104100000000, 0.0005817200000000, 0.0004793100000000 ] - [ -0.0000596900000000, 0.0002332700000000, 0.0016783000000000 ] - [ -0.0005189700000000, 0.0005171700000000, 0.0004832300000000 ] - [ -0.0009934100000000, 0.0003383200000000, 0.0000581300000000 ] - [ 0.0019552700000000, 0.0010705300000000, -0.0023596700000000 ] - [ -0.0003880400000000, 0.0007489000000000, -0.0003200300000000 ] - [ 0.0007865500000000, 0.0007514300000000, -0.0006870600000000 ] - [ 0.0765132200000000, -0.0620686600000000, -0.0300025600000000 ] - [ -0.0008925000000000, 0.0004842300000000, -0.0002513600000000 ] - [ 0.0006107300000000, 0.0003370500000000, -0.0009002900000000 ] - [ -0.0007292200000000, 0.0006418300000000, -0.0002223900000000 ] - [ -0.0002672600000000, 0.0005083200000000, -0.0000526000000000 ] - [ -0.0006242600000000, -0.0009707700000000, 0.0010608000000000 ] - [ -0.0000287300000000, 0.0001798200000000, 0.0002228000000000 ] - [ 0.0000735500000000, 0.0013006100000000, 0.0010184300000000 ] - [ -0.0008041400000000, 0.0001075800000000, 0.0007259900000000 ] - [ 0.0019839800000000, -0.0014276200000000, -0.0010958800000000 ] - [ -0.0005160100000000, -0.0006390400000000, 0.0003030700000000 ] - [ 0.0013508500000000, -0.0009968000000000, -0.0005855300000000 ] - [ 0.0006517700000000, -0.0006259500000000, 0.0014238500000000 ] - [ -0.0006389000000000, -0.0005929900000000, -0.0000701200000000 ] - [ 0.0001839100000000, -0.0002051000000000, 0.0002208200000000 ] - [ -0.0004993900000000, -0.0005003400000000, -0.0001007900000000 ] - [ 0.0022730900000000, 0.0002280400000000, 0.0013599000000000 ] - [ -0.0006484100000000, 0.0001252700000000, 0.0005527000000000 ] - [ 0.0005609600000000, -0.0001940900000000, 0.0001392200000000 ] - [ -0.0004237600000000, -0.0000695700000000, 0.0004410400000000 ] - [ -0.0026997200000000, 0.0010620400000000, -0.0019119600000000 ] - [ -0.0013310300000000, -0.0008520500000000, 0.0006434600000000 ] - [ 0.0006712400000000, 0.0004561000000000, -0.0006011600000000 ] - [ -0.0004304200000000, 0.0002565700000000, -0.0004001500000000 ] - [ -0.0003632400000000, 0.0005626600000000, 0.0006741000000000 ] - [ -0.0001765400000000, 0.0001472200000000, -0.0001822300000000 ] - [ -0.0001655400000000, -0.0002478500000000, 0.0005339300000000 ] - [ -0.0002096400000000, 0.0003204600000000, -0.0001190300000000 ] - [ -0.0079238400000000, -0.0020881300000000, 0.0081896400000000 ] - [ -0.0005649800000000, 0.0000769600000000, 0.0001211200000000 ] - [ 0.0003811900000000, 0.0002108200000000, 0.0003603400000000 ] - [ -0.0002947100000000, 0.0001018500000000, 0.0002410600000000 ] - [ 0.0009141700000000, -0.0003317600000000, 0.0012563600000000 ] - [ -0.0008091100000000, 0.0001040300000000, 0.0001731200000000 ] - [ -0.0000289500000000, 0.0006553400000000, 0.0005598700000000 ] - [ -0.0006875600000000, 0.0003057000000000, 0.0001686500000000 ] - [ -0.0017055200000000, -0.0013880900000000, -0.0008866200000000 ] - [ -0.0017890100000000, 0.0008569300000000, -0.0004344900000000 ] - [ 0.0008030100000000, 0.0006011400000000, -0.0007535500000000 ] - [ 0.0001866400000000, 0.0002224700000000, -0.0001289600000000 ] - [ 0.0002072400000000, -0.0004728800000000, 0.0004150300000000 ] - [ 0.0001973500000000, -0.0003144600000000, 0.0003043500000000 ] - [ 0.0003533500000000, 0.0001209600000000, 0.0002922500000000 ] - [ 0.0002555600000000, -0.0003932200000000, 0.0001727700000000 ] - [ -0.0034089200000000, 0.0111129400000000, 0.0025835900000000 ] - [ -0.0009776600000000, -0.0003217800000000, -0.0001691400000000 ] - [ -0.0000837100000000, -0.0024536900000000, -0.0006752500000000 ] - [ -0.0007992600000000, -0.0000658000000000, -0.0001354400000000 ] - [ -0.0000402700000000, 0.0002113300000000, 0.0012449200000000 ] - [ -0.0004620600000000, -0.0002267700000000, 0.0000905700000000 ] - [ -0.0000916700000000, -0.0001253900000000, 0.0002820300000000 ] - [ -0.0004027500000000, -0.0002249200000000, 0.0000300200000000 ] - [ -0.0013943100000000, 0.0002442100000000, 0.0012379800000000 ] - [ -0.0019251900000000, -0.0007120200000000, -0.0022281000000000 ] - [ -0.0000095100000000, -0.0003735200000000, -0.0000362700000000 ] - [ 0.0001013500000000, 0.0001994200000000, -0.0006105300000000 ] - [ -0.0001017000000000, 0.0001596900000000, 0.0007072900000000 ] - [ -0.0003647100000000, -0.0001591300000000, 0.0011599500000000 ] - [ -0.0001452400000000, -0.0000937500000000, 0.0007759500000000 ] - [ -0.0004350900000000, 0.0003504100000000, 0.0014606900000000 ] - [ 0.0771110400000000, 0.0042970400000000, -0.0540668000000000 ] - [ -0.0007232900000000, 0.0001804800000000, -0.0001334700000000 ] - [ 0.0012359800000000, 0.0000687300000000, -0.0021670000000000 ] - [ -0.0003960800000000, 0.0002066100000000, -0.0002080700000000 ] - [ 0.0026649700000000, 0.0021677700000000, -0.0010211000000000 ] - [ 0.0007515400000000, -0.0009197000000000, 0.0009161500000000 ] - [ 0.0019378400000000, -0.0019431000000000, -0.0005462300000000 ] - [ 0.0005507300000000, 0.0003784700000000, 0.0004240900000000 ] - [ -0.0008091600000000, -0.0008522700000000, -0.0032534700000000 ] - [ 0.0003043700000000, -0.0001876500000000, 0.0001506800000000 ] - [ -0.0006049500000000, -0.0001766300000000, -0.0006695000000000 ] - [ 0.0002006400000000, -0.0002870000000000, 0.0000762100000000 ] - [ -0.0017172600000000, -0.0064523200000000, 0.0045476600000000 ] - [ 0.0008700800000000, 0.0006393900000000, 0.0001741200000000 ] - [ -0.0026834400000000, 0.0098153400000000, 0.0056686200000000 ] - [ 0.0011165600000000, -0.0001425000000000, 0.0001588700000000 ] - [ -0.0004226900000000, 0.0006720200000000, 0.0011098100000000 ] - [ 0.0015147000000000, 0.0003822000000000, -0.0011148200000000 ] - [ -0.0002454500000000, 0.0001136300000000, -0.0002850700000000 ] - [ 0.0008804100000000, 0.0000451000000000, -0.0004107100000000 ] - [ -0.0062055300000000, 0.0047535200000000, -0.0021963200000000 ] - [ 0.0007796900000000, 0.0000185500000000, -0.0000575200000000 ] - [ -0.0029463400000000, -0.0016043800000000, -0.0006149700000000 ] - [ 0.0006280800000000, -0.0001792300000000, -0.0000434600000000 ] - [ 0.0011580100000000, -0.0001147100000000, -0.0004398200000000 ] - [ -0.0007793800000000, -0.0001035100000000, -0.0002843400000000 ] - [ 0.0007967700000000, 0.0000112100000000, -0.0001656000000000 ] - [ -0.0003746400000000, -0.0000525700000000, -0.0003146100000000 ] - [ 0.0015197100000000, -0.0008716700000000, 0.0005670400000000 ] - [ 0.0034248200000000, 0.0057421100000000, -0.0014429500000000 ] - [ 0.0011772800000000, 0.0007570500000000, 0.0006931600000000 ] - [ 0.0062489600000000, -0.0073844100000000, -0.0010835800000000 ] - [ -0.0038918500000000, 0.0016800500000000, -0.0071469700000000 ] - [ 0.0005168000000000, 0.0001376700000000, 0.0000260600000000 ] - [ -0.0009984000000000, -0.0004159500000000, -0.0008170800000000 ] - [ 0.0002417000000000, 0.0000309100000000, -0.0000411200000000 ]- atom: 17 displacement: [ -0.0099996587985401, 0.0000000000000000, 0.0000826069777877 ] forces: - [ -0.0207609700000000, 0.0107699300000000, 0.0185124000000000 ] - [ -0.0005122800000000, -0.0001382400000000, -0.0001584600000000 ] - [ 0.0009999100000000, -0.0015589700000000, -0.0011482400000000 ] - [ -0.0001455700000000, -0.0000215700000000, -0.0001692200000000 ] - [ -0.0003973500000000, -0.0004548500000000, 0.0009624800000000 ] - [ -0.0004268100000000, -0.0003402200000000, 0.0007658700000000 ] - [ -0.0003820800000000, 0.0002261300000000, 0.0009986000000000 ] - [ -0.0003522400000000, -0.0004761000000000, 0.0006037800000000 ] - [ -0.0032795900000000, 0.0001808600000000, 0.0011389100000000 ] - [ -0.0031938700000000, 0.0001911300000000, 0.0016615400000000 ] - [ 0.0001297000000000, 0.0005215700000000, -0.0004410200000000 ] - [ -0.0001400200000000, 0.0004055700000000, 0.0000134600000000 ] - [ 0.0001993600000000, -0.0004319300000000, 0.0001083600000000 ] - [ -0.0002321500000000, 0.0000817200000000, 0.0000877400000000 ] - [ 0.0000651800000000, 0.0009742800000000, 0.0007618500000000 ] - [ -0.0002964600000000, 0.0002997000000000, 0.0002356300000000 ] - [ 0.2258940800000000, -0.0250408900000000, -0.1143107500000000 ] - [ -0.0005258200000000, 0.0005692900000000, 0.0004517300000000 ] - [ 0.0011964000000000, 0.0016408800000000, -0.0021713100000000 ] - [ -0.0001326900000000, 0.0006284500000000, 0.0002787800000000 ] - [ -0.0001567500000000, 0.0008350000000000, -0.0000333900000000 ] - [ -0.0006235200000000, -0.0005189700000000, 0.0008007600000000 ] - [ -0.0001568900000000, 0.0002990100000000, 0.0000246400000000 ] - [ -0.0006196200000000, 0.0019086800000000, 0.0013087500000000 ] - [ -0.0014053800000000, -0.0002296600000000, 0.0009774500000000 ] - [ 0.0014352700000000, -0.0013843300000000, -0.0058821300000000 ] - [ -0.0001401200000000, -0.0005805300000000, -0.0002521000000000 ] - [ 0.0002860100000000, -0.0004778400000000, -0.0011422100000000 ] - [ -0.0005357300000000, -0.0006069800000000, 0.0018295100000000 ] - [ -0.0002135300000000, -0.0006041000000000, 0.0004876500000000 ] - [ -0.0000609700000000, -0.0000271100000000, 0.0008665400000000 ] - [ -0.0001707800000000, -0.0004924900000000, 0.0004486900000000 ] - [ 0.0003759300000000, -0.0003573400000000, -0.0001801400000000 ] - [ 0.0013324600000000, -0.0016273700000000, -0.0019401000000000 ] - [ 0.0002627200000000, -0.0008165100000000, -0.0003207800000000 ] - [ 0.0002643800000000, 0.0000105500000000, -0.0006046600000000 ] - [ -0.0588052500000000, -0.0273885800000000, 0.0156917700000000 ] - [ 0.0005829700000000, -0.0004824600000000, 0.0003558200000000 ] - [ -0.0017649100000000, -0.0031383300000000, 0.0012020200000000 ] - [ 0.0003969800000000, -0.0005701100000000, 0.0003538400000000 ] - [ -0.0008965700000000, 0.0000162100000000, -0.0004984000000000 ] - [ 0.0002761200000000, 0.0004421900000000, 0.0002037400000000 ] - [ -0.0002719200000000, 0.0007884100000000, -0.0009940100000000 ] - [ 0.0001848200000000, 0.0005082700000000, 0.0002002000000000 ] - [ 0.0013237300000000, 0.0006893500000000, -0.0007494600000000 ] - [ -0.0016110600000000, -0.0000429300000000, 0.0016539200000000 ] - [ 0.0007183500000000, 0.0002760900000000, -0.0003651300000000 ] - [ -0.0004492400000000, 0.0002710400000000, 0.0000026100000000 ] - [ -0.0774712600000000, 0.0620518600000000, 0.0290943100000000 ] - [ 0.0006231300000000, 0.0003693500000000, -0.0002273000000000 ] - [ -0.0008752100000000, 0.0005311400000000, 0.0004252400000000 ] - [ 0.0004606400000000, 0.0002070700000000, -0.0002576100000000 ] - [ 0.0005362400000000, 0.0003397200000000, 0.0005388200000000 ] - [ 0.0009109600000000, 0.0018234400000000, -0.0005809200000000 ] - [ 0.0002949600000000, 0.0006731400000000, 0.0002587100000000 ] - [ 0.0002027000000000, -0.0004476500000000, -0.0005411800000000 ] - [ 0.0010731600000000, -0.0009626600000000, -0.0002516200000000 ] - [ -0.0016905300000000, 0.0005601300000000, 0.0015658400000000 ] - [ 0.0007823100000000, -0.0002112800000000, 0.0001764000000000 ] - [ -0.0010732700000000, 0.0001444200000000, 0.0010654600000000 ] - [ -0.0009149800000000, -0.0002232500000000, -0.0019041900000000 ] - [ 0.0003683800000000, -0.0002585300000000, -0.0004103000000000 ] - [ -0.0004504600000000, -0.0006452500000000, -0.0007019400000000 ] - [ 0.0002291500000000, -0.0003523100000000, -0.0003791800000000 ] - [ -0.0023036200000000, -0.0003972800000000, -0.0008303700000000 ] - [ 0.0006403600000000, -0.0002932500000000, -0.0000170400000000 ] - [ -0.0005791900000000, 0.0000303800000000, 0.0003904200000000 ] - [ 0.0004163100000000, -0.0001014200000000, 0.0000937400000000 ] - [ 0.0027578000000000, -0.0012411900000000, 0.0013844600000000 ] - [ 0.0013288200000000, 0.0006744400000000, -0.0011536500000000 ] - [ -0.0006677700000000, -0.0006254700000000, 0.0000698000000000 ] - [ 0.0004431300000000, -0.0004263700000000, -0.0001312900000000 ] - [ 0.0003675000000000, -0.0003912200000000, -0.0012057200000000 ] - [ 0.0001872400000000, 0.0000205100000000, -0.0003546600000000 ] - [ 0.0001705200000000, 0.0004172000000000, -0.0010666900000000 ] - [ 0.0002205700000000, -0.0001497000000000, -0.0004174200000000 ] - [ 0.0078100700000000, 0.0022615000000000, -0.0075761300000000 ] - [ 0.0005522400000000, 0.0000931100000000, 0.0004076500000000 ] - [ -0.0003932700000000, -0.0000444500000000, 0.0001756900000000 ] - [ 0.0002862300000000, 0.0000671700000000, 0.0002900500000000 ] - [ -0.0016113900000000, 0.0008044200000000, -0.0011646800000000 ] - [ 0.0001233600000000, 0.0003646900000000, -0.0000720300000000 ] - [ -0.0006606200000000, -0.0001875700000000, -0.0004608000000000 ] - [ 0.0000021300000000, 0.0001654500000000, -0.0000678500000000 ] - [ 0.0024040700000000, 0.0018794300000000, 0.0007791000000000 ] - [ 0.0024608800000000, -0.0003663500000000, 0.0003385800000000 ] - [ -0.0001238600000000, -0.0001328200000000, 0.0006524300000000 ] - [ 0.0005026000000000, 0.0002416000000000, 0.0000299900000000 ] - [ 0.0004750000000000, 0.0000033300000000, -0.0005125300000000 ] - [ 0.0004912700000000, -0.0001533800000000, -0.0004061300000000 ] - [ 0.0003299600000000, -0.0005906500000000, -0.0003925700000000 ] - [ 0.0004334000000000, -0.0000776900000000, -0.0002741500000000 ] - [ 0.0027104300000000, -0.0115734800000000, -0.0024953700000000 ] - [ 0.0002868700000000, -0.0001504200000000, 0.0002671700000000 ] - [ -0.0006091400000000, 0.0019821600000000, 0.0007779100000000 ] - [ 0.0001120900000000, -0.0004014900000000, 0.0002351400000000 ] - [ -0.0000186400000000, -0.0004477000000000, -0.0019175200000000 ] - [ 0.0004049200000000, -0.0000048400000000, -0.0007566600000000 ] - [ 0.0000371700000000, -0.0001053600000000, -0.0009539500000000 ] - [ 0.0003455500000000, -0.0000079600000000, -0.0006962900000000 ] - [ 0.0014608900000000, -0.0004817100000000, -0.0005954900000000 ] - [ 0.0019473600000000, 0.0004721200000000, 0.0028623500000000 ] - [ 0.0000640000000000, 0.0001423300000000, 0.0007044900000000 ] - [ -0.0000395000000000, -0.0004330200000000, 0.0012767300000000 ] - [ 0.0001532200000000, 0.0000709700000000, -0.0000359100000000 ] - [ 0.0004256100000000, 0.0003914200000000, -0.0004990300000000 ] - [ 0.0001981000000000, 0.0003257500000000, -0.0001059700000000 ] - [ 0.0004964800000000, -0.0001159900000000, -0.0007989800000000 ] - [ -0.0783878800000000, -0.0043943600000000, 0.0568131300000000 ] - [ 0.0006635200000000, 0.0000527900000000, -0.0005337500000000 ] - [ -0.0012981700000000, 0.0001640700000000, 0.0015085500000000 ] - [ 0.0003388600000000, 0.0000262400000000, -0.0004598700000000 ] - [ -0.0021078300000000, -0.0026365600000000, 0.0007291400000000 ] - [ -0.0002042200000000, 0.0004372700000000, -0.0012111400000000 ] - [ -0.0013840700000000, 0.0014758500000000, 0.0002460800000000 ] - [ -0.0000051800000000, -0.0008347000000000, -0.0007207200000000 ] - [ 0.0002653000000000, 0.0003807100000000, 0.0035546700000000 ] - [ -0.0008502300000000, -0.0002804700000000, 0.0001560800000000 ] - [ 0.0000618100000000, -0.0002914800000000, 0.0009741800000000 ] - [ -0.0007476400000000, -0.0001819500000000, 0.0002284400000000 ] - [ 0.0012212800000000, 0.0069675800000000, -0.0042559900000000 ] - [ -0.0014127500000000, -0.0001635100000000, 0.0001263600000000 ] - [ 0.0021705200000000, -0.0094506700000000, -0.0053863100000000 ] - [ -0.0016594200000000, 0.0006048800000000, 0.0001415100000000 ] - [ 0.0009813000000000, -0.0002078300000000, -0.0014328900000000 ] - [ -0.0009748300000000, 0.0000853000000000, 0.0008019800000000 ] - [ 0.0007999100000000, 0.0003547700000000, -0.0000187700000000 ] - [ -0.0003406700000000, 0.0004240700000000, 0.0001065500000000 ] - [ 0.0055290800000000, -0.0048460900000000, 0.0019739300000000 ] - [ -0.0014286400000000, -0.0001273000000000, -0.0001391800000000 ] - [ 0.0022862400000000, 0.0014957700000000, 0.0004072000000000 ] - [ -0.0012775200000000, 0.0000752800000000, -0.0001534800000000 ] - [ -0.0004994000000000, 0.0000081500000000, 0.0006401300000000 ] - [ 0.0014224700000000, -0.0000016300000000, 0.0004922900000000 ] - [ -0.0001403600000000, -0.0001174400000000, 0.0003659000000000 ] - [ 0.0010211800000000, -0.0000532800000000, 0.0005147600000000 ] - [ -0.0008734500000000, 0.0009907800000000, -0.0003688200000000 ] - [ -0.0028023000000000, -0.0055773400000000, 0.0016176700000000 ] - [ -0.0005248800000000, -0.0006583600000000, -0.0004969800000000 ] - [ -0.0056258500000000, 0.0074519000000000, 0.0012633800000000 ] - [ 0.0031941300000000, -0.0015697300000000, 0.0070044100000000 ] - [ -0.0011689800000000, -0.0000324300000000, -0.0002291000000000 ] - [ 0.0003423500000000, 0.0005212500000000, 0.0006256100000000 ] - [ -0.0008929400000000, 0.0000760300000000, -0.0001598600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004823400000000, -0.0093857000000000, 0.0040049600000000 ] - [ 0.0001646900000000, -0.0008319000000000, -0.0001493000000000 ] - [ -0.0004571500000000, 0.0035512900000000, -0.0001705000000000 ] - [ 0.0000436300000000, 0.0003358200000000, -0.0003245900000000 ] - [ 0.0001091800000000, -0.0005846500000000, 0.0003597700000000 ] - [ -0.0007114600000000, -0.0010524200000000, 0.0008530700000000 ] - [ -0.0002701400000000, 0.0001403600000000, 0.0000419500000000 ] - [ 0.0004701700000000, 0.0006525900000000, -0.0003306700000000 ] - [ -0.0008958100000000, -0.0042857200000000, 0.0032549400000000 ] - [ 0.0002464000000000, -0.0064585100000000, -0.0005004200000000 ] - [ 0.0003593700000000, 0.0036495100000000, -0.0013179500000000 ] - [ -0.0006833000000000, 0.0043823500000000, -0.0001936900000000 ] - [ 0.0005787200000000, 0.0008340200000000, -0.0032293900000000 ] - [ 0.0002359700000000, 0.0001259800000000, -0.0003659100000000 ] - [ -0.0012307000000000, 0.0024941500000000, 0.0030643800000000 ] - [ -0.0000898400000000, 0.0003705500000000, -0.0000616200000000 ] - [ 0.0233337200000000, -0.5437146100000000, 0.0408901100000000 ] - [ 0.0000626700000000, 0.0000220800000000, 0.0002666400000000 ] - [ -0.0010166100000000, 0.0106218400000000, 0.0000094600000000 ] - [ 0.0000026700000000, 0.0010425700000000, 0.0001274600000000 ] - [ -0.0003305300000000, 0.0005417400000000, -0.0001237600000000 ] - [ 0.0012647100000000, 0.0020289000000000, -0.0019908000000000 ] - [ 0.0002006800000000, 0.0005442100000000, -0.0002513600000000 ] - [ -0.0011340100000000, 0.0020244900000000, 0.0016957700000000 ] - [ -0.0003953900000000, -0.0010541900000000, 0.0004327100000000 ] - [ 0.0007747900000000, -0.0059583300000000, 0.0030294400000000 ] - [ -0.0000537500000000, -0.0000859900000000, -0.0002284700000000 ] - [ -0.0001555000000000, 0.0019902500000000, -0.0006569300000000 ] - [ 0.0000308800000000, -0.0007524800000000, 0.0006771600000000 ] - [ 0.0000284800000000, -0.0006089600000000, 0.0002242100000000 ] - [ 0.0005951600000000, -0.0001064500000000, -0.0010020600000000 ] - [ 0.0001373800000000, -0.0004382500000000, 0.0000283700000000 ] - [ 0.0000355800000000, -0.0001925800000000, -0.0003628900000000 ] - [ 0.0019048100000000, -0.0001121300000000, -0.0042466400000000 ] - [ 0.0004056400000000, -0.0007681900000000, -0.0002409200000000 ] - [ -0.0003476600000000, -0.0022771400000000, 0.0013732100000000 ] - [ 0.0241750300000000, 0.2547998300000000, -0.0986150700000000 ] - [ -0.0000624400000000, -0.0001399800000000, 0.0002455300000000 ] - [ -0.0008667800000000, -0.0103884400000000, 0.0009969800000000 ] - [ -0.0000331500000000, -0.0008942400000000, 0.0003986500000000 ] - [ -0.0002588400000000, 0.0007194000000000, 0.0005316700000000 ] - [ -0.0001394800000000, 0.0005354900000000, 0.0003621200000000 ] - [ -0.0002198700000000, 0.0002345000000000, 0.0005208000000000 ] - [ -0.0001190100000000, 0.0004916600000000, 0.0003257500000000 ] - [ 0.0000560200000000, 0.0010284600000000, -0.0005390300000000 ] - [ 0.0017514300000000, 0.0038236600000000, 0.0003596900000000 ] - [ 0.0002973500000000, 0.0000999000000000, -0.0003302200000000 ] - [ -0.0002590100000000, -0.0014168600000000, -0.0001314500000000 ] - [ -0.0575791400000000, 0.2129524600000000, 0.0722676300000000 ] - [ -0.0001013300000000, 0.0007743400000000, -0.0002329200000000 ] - [ 0.0009145000000000, -0.0095945400000000, -0.0007495900000000 ] - [ 0.0000861700000000, 0.0000029100000000, -0.0003016900000000 ] - [ 0.0003585900000000, 0.0005542800000000, 0.0004429100000000 ] - [ -0.0021881100000000, 0.0011364700000000, 0.0041359800000000 ] - [ 0.0000837100000000, 0.0002480600000000, 0.0001862300000000 ] - [ 0.0003536200000000, -0.0015210200000000, -0.0017121700000000 ] - [ 0.0003253100000000, -0.0003016300000000, 0.0000830900000000 ] - [ -0.0015292400000000, 0.0009443200000000, -0.0018914300000000 ] - [ 0.0000444000000000, -0.0006599800000000, 0.0002385600000000 ] - [ 0.0010898000000000, -0.0020182500000000, 0.0014057400000000 ] - [ 0.0000730600000000, 0.0004387800000000, -0.0000081000000000 ] - [ -0.0000793500000000, -0.0002786800000000, -0.0002703900000000 ] - [ -0.0004380900000000, -0.0013436200000000, 0.0000023600000000 ] - [ -0.0001140400000000, -0.0005606900000000, -0.0002045800000000 ] - [ -0.0024846100000000, -0.0001792500000000, -0.0051847000000000 ] - [ 0.0002980700000000, 0.0000738200000000, 0.0000781400000000 ] - [ 0.0008407000000000, -0.0018308300000000, 0.0033575700000000 ] - [ -0.0001801300000000, -0.0002478500000000, 0.0003714200000000 ] - [ 0.0043472600000000, 0.0033602000000000, -0.0012999900000000 ] - [ -0.0011179900000000, 0.0023449100000000, -0.0006473800000000 ] - [ -0.0022445000000000, -0.0034773500000000, 0.0000835200000000 ] - [ 0.0014023600000000, -0.0024141800000000, 0.0003037100000000 ] - [ 0.0001538300000000, 0.0000874900000000, -0.0002524900000000 ] - [ -0.0003597700000000, 0.0000726700000000, -0.0001829900000000 ] - [ -0.0002145800000000, 0.0001091900000000, -0.0001375600000000 ] - [ 0.0003778900000000, 0.0000553400000000, -0.0003034300000000 ] - [ -0.0019022800000000, 0.0007221300000000, 0.0017442300000000 ] - [ 0.0001687300000000, 0.0005189000000000, 0.0002252400000000 ] - [ -0.0001161900000000, -0.0015238100000000, 0.0006131800000000 ] - [ -0.0000785200000000, -0.0003044400000000, 0.0002997400000000 ] - [ -0.0000942900000000, 0.0014980500000000, 0.0027968600000000 ] - [ -0.0003565600000000, 0.0004249200000000, 0.0000522100000000 ] - [ -0.0002515300000000, -0.0018505700000000, -0.0006994300000000 ] - [ -0.0002267900000000, 0.0000407800000000, 0.0000403000000000 ] - [ -0.0016138600000000, 0.0034394100000000, -0.0003625800000000 ] - [ 0.0035679000000000, 0.0038817900000000, 0.0009588400000000 ] - [ 0.0027336100000000, -0.0029861000000000, -0.0004094600000000 ] - [ -0.0015186000000000, -0.0035054000000000, -0.0011711100000000 ] - [ 0.0002348900000000, 0.0002892600000000, -0.0000081300000000 ] - [ 0.0005268800000000, 0.0005726100000000, -0.0001757000000000 ] - [ 0.0004013600000000, -0.0006984400000000, 0.0000957000000000 ] - [ 0.0002228000000000, -0.0010957900000000, 0.0000895700000000 ] - [ 0.0008951700000000, 0.0057571400000000, -0.0038893700000000 ] - [ -0.0005842900000000, 0.0000625800000000, -0.0000968000000000 ] - [ -0.0011041800000000, -0.0031376600000000, 0.0020362800000000 ] - [ -0.0000310900000000, -0.0005989200000000, 0.0002068300000000 ] - [ 0.0009688000000000, 0.0006932100000000, -0.0011600100000000 ] - [ 0.0001072900000000, -0.0000515900000000, -0.0004725700000000 ] - [ -0.0009206100000000, -0.0008691900000000, 0.0010551800000000 ] - [ -0.0000703300000000, -0.0001594600000000, -0.0002390000000000 ] - [ 0.0005888900000000, 0.0005605400000000, -0.0006750200000000 ] - [ -0.0030739700000000, 0.0030726900000000, -0.0009515600000000 ] - [ -0.0001424600000000, -0.0009477200000000, 0.0004211200000000 ] - [ 0.0011202800000000, -0.0021928600000000, 0.0010287500000000 ] - [ 0.0002349800000000, 0.0000577400000000, 0.0004861900000000 ] - [ -0.0011540600000000, -0.0003732800000000, 0.0020730300000000 ] - [ -0.0002378800000000, 0.0001096700000000, 0.0003146200000000 ] - [ 0.0010349900000000, -0.0001319900000000, -0.0011921400000000 ] - [ 0.0062719600000000, 0.0578275800000000, -0.0157093200000000 ] - [ 0.0001000300000000, 0.0003815200000000, -0.0003398800000000 ] - [ 0.0004884200000000, -0.0029276900000000, -0.0012446200000000 ] - [ 0.0000185300000000, -0.0001473400000000, -0.0004141500000000 ] - [ 0.0013103500000000, -0.0003937800000000, -0.0006598000000000 ] - [ -0.0009333900000000, -0.0004646900000000, -0.0011433800000000 ] - [ -0.0004602600000000, 0.0003132900000000, 0.0006589500000000 ] - [ 0.0009544700000000, 0.0005018500000000, 0.0004029200000000 ] - [ -0.0001864800000000, -0.0015071800000000, -0.0005034700000000 ] - [ -0.0002712000000000, -0.0006157900000000, 0.0001297800000000 ] - [ -0.0001377600000000, 0.0007395200000000, 0.0001027000000000 ] - [ -0.0004167100000000, 0.0001319600000000, 0.0001396500000000 ] - [ -0.0160413400000000, 0.0154473300000000, 0.0012483700000000 ] - [ 0.0004674200000000, 0.0003438600000000, 0.0001789900000000 ] - [ 0.0171012100000000, 0.0146141600000000, 0.0007973200000000 ] - [ -0.0013983900000000, 0.0002611400000000, 0.0001883200000000 ] - [ -0.0002891100000000, -0.0023452100000000, -0.0011473900000000 ] - [ 0.0001740900000000, -0.0018315300000000, -0.0001234500000000 ] - [ 0.0000595100000000, 0.0020141800000000, -0.0000621500000000 ] - [ 0.0002482300000000, 0.0018248900000000, 0.0000464400000000 ] - [ 0.0004186600000000, 0.0006341400000000, -0.0076793900000000 ] - [ -0.0004358800000000, -0.0001683200000000, -0.0001468200000000 ] - [ -0.0003930000000000, 0.0022835500000000, 0.0024427300000000 ] - [ -0.0003844200000000, 0.0000790900000000, -0.0000651200000000 ] - [ 0.0002592900000000, -0.0003794600000000, 0.0000320300000000 ] - [ 0.0002758400000000, -0.0014060200000000, 0.0000299300000000 ] - [ 0.0003623500000000, 0.0002547800000000, 0.0001031500000000 ] - [ 0.0003243500000000, 0.0010223200000000, -0.0000531600000000 ] - [ -0.0008753500000000, 0.0002795600000000, 0.0000266800000000 ] - [ 0.0150635100000000, 0.0099344000000000, -0.0017980400000000 ] - [ 0.0010337500000000, 0.0000211000000000, 0.0001593600000000 ] - [ -0.0124471000000000, 0.0128136300000000, 0.0026882500000000 ] - [ 0.0011590700000000, -0.0197311500000000, 0.0009940600000000 ] - [ -0.0004865000000000, -0.0003342100000000, -0.0001524600000000 ] - [ 0.0000362500000000, 0.0045316700000000, -0.0003657100000000 ] - [ -0.0004349000000000, 0.0004173600000000, -0.0000849400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002273700000000, 0.0086493900000000, -0.0045430200000000 ] - [ 0.0000710500000000, 0.0003519600000000, -0.0003614700000000 ] - [ 0.0006877700000000, -0.0040339500000000, -0.0003303300000000 ] - [ 0.0001928100000000, -0.0008134700000000, -0.0001868100000000 ] - [ -0.0003425200000000, 0.0001092500000000, 0.0001488800000000 ] - [ 0.0004778400000000, 0.0005758500000000, -0.0003438700000000 ] - [ 0.0000359900000000, -0.0006226500000000, 0.0004669500000000 ] - [ -0.0007028600000000, -0.0011312800000000, 0.0008392300000000 ] - [ 0.0006791100000000, 0.0047607400000000, -0.0027394900000000 ] - [ -0.0005006900000000, 0.0069388800000000, 0.0010129800000000 ] - [ -0.0006020400000000, -0.0031677000000000, 0.0018395400000000 ] - [ 0.0004494000000000, -0.0038974800000000, 0.0007016700000000 ] - [ -0.0003353500000000, -0.0003617800000000, 0.0027184200000000 ] - [ -0.0000002800000000, 0.0003525400000000, -0.0001466900000000 ] - [ 0.0014738800000000, -0.0020205000000000, -0.0035872700000000 ] - [ 0.0003253700000000, 0.0001091700000000, -0.0004508800000000 ] - [ -0.0309937700000000, 0.5421591000000000, -0.0238850500000000 ] - [ 0.0001572600000000, 0.0010201300000000, -0.0000328200000000 ] - [ 0.0012262600000000, -0.0095820600000000, 0.0002499200000000 ] - [ 0.0002161300000000, 0.0000002100000000, 0.0001055900000000 ] - [ 0.0001111600000000, 0.0004979200000000, -0.0001102100000000 ] - [ -0.0014814100000000, -0.0009815100000000, 0.0017521200000000 ] - [ -0.0004199200000000, 0.0005004000000000, 0.0000169600000000 ] - [ 0.0009148700000000, -0.0009859600000000, -0.0019318900000000 ] - [ 0.0001808200000000, 0.0000078300000000, -0.0006673700000000 ] - [ -0.0010212000000000, 0.0048813600000000, -0.0032759300000000 ] - [ -0.0001695800000000, -0.0009543100000000, 0.0000011300000000 ] - [ -0.0000614000000000, -0.0030327700000000, 0.0004252600000000 ] - [ 0.0001942500000000, -0.0002838700000000, -0.0004544500000000 ] - [ 0.0001916200000000, -0.0004324700000000, 0.0000078100000000 ] - [ -0.0003747200000000, -0.0009421300000000, 0.0012311200000000 ] - [ 0.0000825300000000, -0.0006051200000000, 0.0002036400000000 ] - [ 0.0002975900000000, -0.0008338400000000, -0.0003212000000000 ] - [ -0.0015764100000000, -0.0009054100000000, 0.0035673400000000 ] - [ -0.0000710900000000, -0.0002543200000000, -0.0004421000000000 ] - [ 0.0006783800000000, 0.0012501700000000, -0.0020520000000000 ] - [ -0.0223217900000000, -0.2411187000000000, 0.0903231300000000 ] - [ -0.0002711900000000, -0.0008837700000000, 0.0004382000000000 ] - [ 0.0005321200000000, 0.0093834900000000, -0.0003065700000000 ] - [ -0.0002995900000000, -0.0001310100000000, 0.0002859000000000 ] - [ -0.0000726300000000, 0.0003121100000000, 0.0001550600000000 ] - [ -0.0001944900000000, 0.0004899600000000, 0.0003223700000000 ] - [ -0.0001148700000000, 0.0007858400000000, 0.0001688600000000 ] - [ -0.0002144200000000, 0.0005321600000000, 0.0003586000000000 ] - [ 0.0002718600000000, -0.0000039800000000, -0.0001453600000000 ] - [ -0.0013978400000000, -0.0027981100000000, -0.0010341900000000 ] - [ 0.0000373600000000, 0.0009251400000000, -0.0003562500000000 ] - [ 0.0005904900000000, 0.0024419100000000, -0.0005548900000000 ] - [ 0.0627334100000000, -0.2244949000000000, -0.0798779500000000 ] - [ -0.0001683500000000, 0.0000765700000000, -0.0002481800000000 ] - [ -0.0011830400000000, 0.0104323600000000, 0.0002806100000000 ] - [ -0.0003549600000000, 0.0008493200000000, -0.0001786000000000 ] - [ -0.0000901700000000, 0.0002990100000000, 0.0000359900000000 ] - [ 0.0024506000000000, -0.0002932700000000, -0.0036462800000000 ] - [ 0.0001864100000000, 0.0006017200000000, 0.0002945000000000 ] - [ -0.0000869400000000, 0.0023719700000000, 0.0021937600000000 ] - [ -0.0000578300000000, -0.0005462800000000, 0.0003982600000000 ] - [ 0.0017955000000000, -0.0017799100000000, 0.0023670700000000 ] - [ 0.0002239700000000, -0.0001957700000000, 0.0002398200000000 ] - [ -0.0008207300000000, 0.0011626900000000, -0.0009321600000000 ] - [ -0.0003400100000000, -0.0012965600000000, -0.0004627800000000 ] - [ -0.0001906900000000, -0.0005738300000000, -0.0002082900000000 ] - [ 0.0001691200000000, 0.0004940800000000, -0.0004819700000000 ] - [ -0.0001550800000000, -0.0002905800000000, -0.0002747100000000 ] - [ 0.0024825700000000, 0.0000079800000000, 0.0057374100000000 ] - [ -0.0003076200000000, -0.0002429300000000, 0.0004541400000000 ] - [ -0.0008536000000000, 0.0016666700000000, -0.0028127400000000 ] - [ 0.0001704000000000, 0.0000792100000000, 0.0001613400000000 ] - [ -0.0043442100000000, -0.0035091000000000, 0.0007590100000000 ] - [ 0.0011275500000000, -0.0025099800000000, 0.0001104900000000 ] - [ 0.0022687300000000, 0.0033188800000000, -0.0006167300000000 ] - [ -0.0013903300000000, 0.0022392300000000, -0.0008357900000000 ] - [ -0.0001472000000000, 0.0000866800000000, -0.0002779100000000 ] - [ 0.0003673800000000, 0.0000983400000000, -0.0003473200000000 ] - [ 0.0002226700000000, 0.0000564400000000, -0.0003919900000000 ] - [ -0.0003699800000000, 0.0001130800000000, -0.0002275300000000 ] - [ 0.0018064900000000, -0.0005500900000000, -0.0010847600000000 ] - [ -0.0001762000000000, -0.0003494700000000, 0.0003076100000000 ] - [ 0.0001113800000000, 0.0016986000000000, -0.0000884900000000 ] - [ 0.0000692400000000, 0.0004735000000000, 0.0002328600000000 ] - [ -0.0005897900000000, -0.0010290600000000, -0.0026928000000000 ] - [ -0.0003305600000000, 0.0000452700000000, 0.0000484300000000 ] - [ -0.0004343800000000, 0.0023209700000000, 0.0008042300000000 ] - [ -0.0004601300000000, 0.0004285400000000, 0.0000603400000000 ] - [ 0.0022924000000000, -0.0029840400000000, 0.0002518100000000 ] - [ -0.0028818800000000, -0.0034166300000000, -0.0010601700000000 ] - [ -0.0020352500000000, 0.0034537100000000, 0.0003017600000000 ] - [ 0.0021985700000000, 0.0039718400000000, 0.0010693800000000 ] - [ 0.0004497900000000, -0.0007618500000000, -0.0000889300000000 ] - [ 0.0001597300000000, -0.0010439100000000, 0.0000774800000000 ] - [ 0.0002857000000000, 0.0002312800000000, -0.0001940000000000 ] - [ 0.0004623900000000, 0.0006254400000000, -0.0001889400000000 ] - [ -0.0015577700000000, -0.0061543600000000, 0.0039567500000000 ] - [ -0.0001016000000000, -0.0005312200000000, 0.0001971600000000 ] - [ 0.0004257700000000, 0.0026668400000000, -0.0019542300000000 ] - [ -0.0006547700000000, 0.0001275700000000, -0.0001067400000000 ] - [ -0.0010296600000000, -0.0009256300000000, 0.0005068000000000 ] - [ -0.0001648500000000, -0.0001814100000000, -0.0001934200000000 ] - [ 0.0008615600000000, 0.0006385700000000, -0.0017172800000000 ] - [ 0.0000128800000000, -0.0000729100000000, -0.0004271100000000 ] - [ -0.0005352900000000, -0.0007916600000000, 0.0013431100000000 ] - [ 0.0031396800000000, -0.0032904700000000, 0.0016166800000000 ] - [ 0.0002051100000000, 0.0007101300000000, 0.0002388700000000 ] - [ -0.0010666300000000, 0.0019588400000000, -0.0003612200000000 ] - [ -0.0001784700000000, 0.0001758700000000, 0.0001824100000000 ] - [ 0.0012073500000000, 0.0006050000000000, -0.0013989800000000 ] - [ 0.0002938600000000, 0.0001209300000000, 0.0003550900000000 ] - [ -0.0009802600000000, 0.0003643400000000, 0.0018637400000000 ] - [ -0.0058713200000000, -0.0571341100000000, 0.0142914700000000 ] - [ -0.0001573000000000, -0.0001485700000000, -0.0003281400000000 ] - [ -0.0005390200000000, 0.0031577500000000, 0.0005629100000000 ] - [ -0.0000755200000000, 0.0003800700000000, -0.0002535300000000 ] - [ -0.0007530500000000, -0.0000525600000000, 0.0003568900000000 ] - [ 0.0014766800000000, 0.0000014600000000, 0.0008408400000000 ] - [ 0.0010054700000000, -0.0007915500000000, -0.0009583500000000 ] - [ -0.0004067400000000, -0.0009736700000000, -0.0007053100000000 ] - [ -0.0003600400000000, 0.0010307000000000, 0.0007875600000000 ] - [ -0.0002742900000000, 0.0001462700000000, 0.0001722600000000 ] - [ -0.0004089400000000, -0.0012066400000000, 0.0002005500000000 ] - [ -0.0001283300000000, -0.0006004200000000, 0.0001633400000000 ] - [ 0.0153735200000000, -0.0148913400000000, -0.0009747300000000 ] - [ -0.0010122600000000, 0.0001235600000000, 0.0001251800000000 ] - [ -0.0178233300000000, -0.0142501500000000, -0.0005268500000000 ] - [ 0.0008524000000000, 0.0002081000000000, 0.0001158200000000 ] - [ 0.0008365200000000, 0.0028166600000000, 0.0008500100000000 ] - [ 0.0003755500000000, 0.0022994300000000, -0.0001793700000000 ] - [ 0.0004819100000000, -0.0015466800000000, -0.0002472600000000 ] - [ 0.0003007200000000, -0.0013549600000000, -0.0003494000000000 ] - [ -0.0010834400000000, -0.0006879400000000, 0.0075067700000000 ] - [ -0.0002148400000000, 0.0000636900000000, -0.0000526900000000 ] - [ -0.0002599600000000, -0.0023944900000000, -0.0026257100000000 ] - [ -0.0002672700000000, -0.0001872200000000, -0.0001340100000000 ] - [ 0.0003963800000000, 0.0002716000000000, 0.0001644400000000 ] - [ 0.0003719300000000, 0.0012945200000000, 0.0001625800000000 ] - [ 0.0002899500000000, -0.0003600600000000, 0.0000956700000000 ] - [ 0.0003271700000000, -0.0011269800000000, 0.0002524000000000 ] - [ 0.0015264100000000, -0.0001795400000000, 0.0001727400000000 ] - [ -0.0143245900000000, -0.0097809200000000, 0.0019642700000000 ] - [ -0.0003838800000000, 0.0000913700000000, 0.0000413900000000 ] - [ 0.0131870900000000, -0.0127722000000000, -0.0025219800000000 ] - [ -0.0018388300000000, 0.0198394200000000, -0.0011132700000000 ] - [ -0.0001647300000000, 0.0004407500000000, -0.0000460700000000 ] - [ -0.0006867800000000, -0.0044273600000000, 0.0001545100000000 ] - [ -0.0002176900000000, -0.0003110200000000, -0.0001143800000000 ]- atom: 17 displacement: [ -0.0004367987813524, 0.0000000000000000, 0.0099904557866300 ] forces: - [ -0.0243342700000000, 0.0230344000000000, 0.0364788300000000 ] - [ -0.0000629700000000, -0.0000730600000000, -0.0006200800000000 ] - [ 0.0017209400000000, -0.0029989900000000, -0.0019530800000000 ] - [ -0.0000807900000000, -0.0002748900000000, -0.0004545400000000 ] - [ -0.0006237200000000, -0.0003810800000000, 0.0015834100000000 ] - [ -0.0007849100000000, -0.0007317500000000, 0.0015150000000000 ] - [ -0.0006474900000000, 0.0003820700000000, 0.0017588000000000 ] - [ -0.0008889100000000, -0.0004038700000000, 0.0015357900000000 ] - [ -0.0020570700000000, 0.0028414500000000, -0.0033250700000000 ] - [ -0.0004355000000000, -0.0011293600000000, -0.0020002400000000 ] - [ 0.0003994400000000, 0.0001012600000000, -0.0009022500000000 ] - [ 0.0002111700000000, -0.0000856200000000, -0.0005047400000000 ] - [ -0.0003237700000000, -0.0013449900000000, 0.0009555700000000 ] - [ -0.0003237800000000, 0.0001433300000000, 0.0003305100000000 ] - [ -0.0009235000000000, 0.0015670100000000, 0.0023253900000000 ] - [ -0.0003644700000000, 0.0002194000000000, 0.0004350800000000 ] - [ 0.1221022600000000, 0.0319842400000000, -0.3817766300000000 ] - [ -0.0002550600000000, 0.0006728700000000, -0.0000183200000000 ] - [ 0.0024038000000000, 0.0004508000000000, -0.0044785200000000 ] - [ -0.0000636800000000, 0.0005370000000000, 0.0000189000000000 ] - [ -0.0002520100000000, 0.0006691200000000, 0.0003328400000000 ] - [ -0.0015297300000000, -0.0013251200000000, 0.0024813600000000 ] - [ -0.0001949300000000, 0.0005179700000000, 0.0003350400000000 ] - [ -0.0010250200000000, 0.0024425500000000, 0.0025045800000000 ] - [ -0.0012484600000000, 0.0000405000000000, 0.0003065500000000 ] - [ 0.0057306100000000, 0.0025983400000000, -0.0037192100000000 ] - [ 0.0000206200000000, -0.0006378200000000, -0.0006098400000000 ] - [ 0.0009152200000000, -0.0010609100000000, -0.0025944200000000 ] - [ -0.0015963600000000, -0.0010912600000000, 0.0038258200000000 ] - [ -0.0002706200000000, -0.0006328900000000, 0.0007050000000000 ] - [ -0.0006270700000000, 0.0006174800000000, 0.0022596800000000 ] - [ -0.0002299900000000, -0.0004323400000000, 0.0006876100000000 ] - [ 0.0000783400000000, -0.0006382900000000, -0.0003351800000000 ] - [ 0.0023365900000000, -0.0025004800000000, -0.0027487200000000 ] - [ 0.0001318600000000, -0.0007405600000000, -0.0004621200000000 ] - [ 0.0005627000000000, 0.0005442500000000, -0.0015339900000000 ] - [ -0.0163276700000000, -0.0980771300000000, 0.1065891800000000 ] - [ 0.0003723000000000, -0.0006631700000000, 0.0005708000000000 ] - [ -0.0022931300000000, -0.0029020200000000, 0.0013595200000000 ] - [ 0.0003535000000000, -0.0005046800000000, 0.0004724600000000 ] - [ -0.0007389200000000, -0.0007442500000000, -0.0015839200000000 ] - [ 0.0002259300000000, 0.0003474500000000, 0.0000485300000000 ] - [ -0.0000025800000000, 0.0011522800000000, -0.0022365700000000 ] - [ 0.0001687500000000, 0.0005132000000000, 0.0000705700000000 ] - [ 0.0015742100000000, 0.0003979300000000, -0.0004732500000000 ] - [ -0.0049329200000000, -0.0004933800000000, -0.0009867000000000 ] - [ 0.0008709900000000, 0.0001245100000000, -0.0002594900000000 ] - [ -0.0007437900000000, 0.0001315900000000, 0.0003674200000000 ] - [ -0.0315690400000000, 0.0790662300000000, 0.0933023200000000 ] - [ 0.0004722400000000, 0.0004177500000000, -0.0000226300000000 ] - [ -0.0012865000000000, 0.0035491100000000, 0.0009723000000000 ] - [ 0.0002529300000000, 0.0003911100000000, -0.0001036500000000 ] - [ 0.0002134000000000, 0.0005452400000000, 0.0002321000000000 ] - [ 0.0025371800000000, 0.0027924900000000, -0.0023192900000000 ] - [ 0.0002008900000000, 0.0006449100000000, 0.0001930200000000 ] - [ 0.0002985900000000, -0.0005301000000000, -0.0012021500000000 ] - [ 0.0010939600000000, -0.0008742200000000, -0.0000358800000000 ] - [ -0.0025455200000000, -0.0017308300000000, 0.0006407600000000 ] - [ 0.0009390700000000, 0.0000039800000000, 0.0002700900000000 ] - [ -0.0018984400000000, 0.0015350100000000, 0.0014809400000000 ] - [ -0.0006533200000000, 0.0003073600000000, -0.0037557400000000 ] - [ 0.0003336800000000, -0.0001916600000000, -0.0005838500000000 ] - [ -0.0003068600000000, -0.0007607500000000, -0.0013710100000000 ] - [ 0.0002312200000000, -0.0003300600000000, -0.0005101200000000 ] - [ -0.0018922100000000, -0.0021794700000000, -0.0023424300000000 ] - [ 0.0007865900000000, -0.0003479900000000, -0.0000284000000000 ] - [ -0.0006492600000000, 0.0004214800000000, -0.0003763600000000 ] - [ 0.0006292100000000, -0.0002333800000000, 0.0000037600000000 ] - [ -0.0015166800000000, -0.0017834100000000, 0.0030420200000000 ] - [ 0.0011250000000000, -0.0001749500000000, 0.0007880400000000 ] - [ -0.0009300500000000, -0.0006139400000000, 0.0003689000000000 ] - [ 0.0010875300000000, -0.0006890800000000, 0.0001847900000000 ] - [ 0.0007758500000000, -0.0007764600000000, -0.0018794200000000 ] - [ 0.0001138100000000, -0.0003548400000000, -0.0011767400000000 ] - [ 0.0004378400000000, 0.0004647900000000, -0.0016369900000000 ] - [ 0.0001874000000000, -0.0000116800000000, -0.0010177800000000 ] - [ 0.0088163800000000, 0.0021285000000000, -0.0170379900000000 ] - [ -0.0001112900000000, -0.0000528600000000, 0.0004300100000000 ] - [ -0.0004127900000000, -0.0000181100000000, 0.0002018200000000 ] - [ 0.0001082400000000, -0.0000469300000000, 0.0003542600000000 ] - [ -0.0021010600000000, 0.0016064600000000, -0.0029730800000000 ] - [ 0.0001718300000000, 0.0003253400000000, -0.0002561700000000 ] - [ -0.0005595400000000, -0.0008421300000000, -0.0011926100000000 ] - [ 0.0000794300000000, 0.0002474100000000, -0.0002288600000000 ] - [ 0.0029718900000000, 0.0006554500000000, 0.0027850400000000 ] - [ 0.0019211300000000, 0.0008535100000000, 0.0015772200000000 ] - [ -0.0006147300000000, 0.0003229600000000, 0.0013931800000000 ] - [ 0.0013508200000000, 0.0008596000000000, 0.0011828900000000 ] - [ 0.0006112300000000, -0.0000218000000000, -0.0012093100000000 ] - [ 0.0003473000000000, 0.0000909600000000, -0.0010664000000000 ] - [ 0.0003456200000000, -0.0006964800000000, -0.0007781400000000 ] - [ 0.0005253000000000, -0.0001011500000000, -0.0007081000000000 ] - [ 0.0049511600000000, -0.0206303500000000, -0.0029729300000000 ] - [ -0.0000727400000000, -0.0003310200000000, 0.0004270800000000 ] - [ -0.0002130400000000, 0.0040463700000000, 0.0015627600000000 ] - [ -0.0001229700000000, -0.0001223200000000, 0.0004522100000000 ] - [ 0.0006220400000000, -0.0006667900000000, -0.0041038800000000 ] - [ 0.0004410800000000, 0.0000503900000000, -0.0010003000000000 ] - [ 0.0007044800000000, 0.0001400400000000, -0.0022693100000000 ] - [ 0.0004053000000000, 0.0000132400000000, -0.0009530700000000 ] - [ 0.0009567200000000, -0.0002973500000000, 0.0013974600000000 ] - [ -0.0006267700000000, -0.0001816500000000, 0.0048872900000000 ] - [ -0.0000981700000000, 0.0004118600000000, 0.0012318800000000 ] - [ -0.0003949900000000, -0.0001982000000000, 0.0026178800000000 ] - [ 0.0002875000000000, 0.0002013400000000, -0.0006126900000000 ] - [ 0.0011522800000000, 0.0005198800000000, -0.0021046200000000 ] - [ 0.0003141900000000, 0.0003902500000000, -0.0005764800000000 ] - [ 0.0010095100000000, -0.0000572100000000, -0.0018688100000000 ] - [ -0.0623735800000000, -0.0128024700000000, 0.1444484300000000 ] - [ 0.0003715800000000, 0.0001204800000000, -0.0000498400000000 ] - [ -0.0022098000000000, 0.0007683000000000, 0.0034257600000000 ] - [ 0.0002656400000000, 0.0001456000000000, -0.0001272900000000 ] - [ -0.0043760600000000, -0.0040170700000000, 0.0008286100000000 ] - [ 0.0013425300000000, -0.0009596000000000, -0.0013197600000000 ] - [ -0.0026045500000000, 0.0022736100000000, -0.0000053700000000 ] - [ 0.0008466300000000, 0.0003020600000000, -0.0009827900000000 ] - [ -0.0000845200000000, 0.0009465700000000, 0.0061617900000000 ] - [ -0.0005431500000000, -0.0001810900000000, 0.0006354200000000 ] - [ -0.0001159700000000, -0.0004023200000000, 0.0017556500000000 ] - [ -0.0006528300000000, -0.0002420300000000, 0.0004785700000000 ] - [ 0.0070654700000000, -0.0008236600000000, -0.0071336300000000 ] - [ -0.0015702400000000, 0.0002103900000000, -0.0002684100000000 ] - [ 0.0065775700000000, -0.0001491100000000, -0.0088416100000000 ] - [ -0.0016761000000000, 0.0002782400000000, -0.0002357200000000 ] - [ 0.0027138500000000, 0.0000815400000000, 0.0005405000000000 ] - [ -0.0018954500000000, 0.0002393500000000, 0.0010177500000000 ] - [ 0.0012546800000000, 0.0002347600000000, 0.0002588200000000 ] - [ -0.0008927600000000, 0.0003150500000000, 0.0005388200000000 ] - [ 0.0057514000000000, -0.0114678200000000, 0.0088033600000000 ] - [ -0.0013118500000000, -0.0002282300000000, -0.0001139100000000 ] - [ 0.0024228500000000, 0.0035942400000000, 0.0003634100000000 ] - [ -0.0011989900000000, 0.0001624700000000, -0.0001519100000000 ] - [ -0.0006621900000000, 0.0000642200000000, 0.0009992400000000 ] - [ 0.0016954600000000, 0.0006114800000000, 0.0029741600000000 ] - [ -0.0001707000000000, -0.0001627300000000, 0.0006077100000000 ] - [ 0.0012185200000000, -0.0003064700000000, 0.0012104500000000 ] - [ -0.0000207500000000, 0.0005302500000000, -0.0006149600000000 ] - [ -0.0063001300000000, -0.0052454900000000, -0.0008865700000000 ] - [ -0.0002990600000000, -0.0005790700000000, -0.0007477100000000 ] - [ -0.0053764000000000, 0.0059075500000000, -0.0001256600000000 ] - [ -0.0031392400000000, 0.0013158200000000, 0.0274333000000000 ] - [ -0.0009167300000000, 0.0000426700000000, -0.0001909900000000 ] - [ 0.0004482100000000, 0.0000797700000000, 0.0014425700000000 ] - [ -0.0008132700000000, 0.0000237800000000, -0.0001103600000000 ]- atom: 17 displacement: [ 0.0004367987813524, 0.0000000000000000, -0.0099904557866300 ] forces: - [ 0.0242429500000000, -0.0237277700000000, -0.0366220200000000 ] - [ 0.0002990500000000, -0.0004047700000000, 0.0001054100000000 ] - [ -0.0014774700000000, 0.0025127200000000, 0.0014329900000000 ] - [ 0.0003169000000000, -0.0002038300000000, -0.0000589400000000 ] - [ 0.0003873300000000, -0.0000980400000000, -0.0010709800000000 ] - [ 0.0005510800000000, 0.0002503800000000, -0.0010034800000000 ] - [ 0.0004108500000000, -0.0008600100000000, -0.0012452700000000 ] - [ 0.0006558000000000, -0.0000721400000000, -0.0010247500000000 ] - [ 0.0018356400000000, -0.0023612900000000, 0.0038348500000000 ] - [ 0.0001822300000000, 0.0016004700000000, 0.0025145100000000 ] - [ -0.0006341600000000, 0.0003786700000000, 0.0014087600000000 ] - [ -0.0004459800000000, 0.0005646200000000, 0.0010124900000000 ] - [ 0.0005592400000000, 0.0018427400000000, -0.0014590900000000 ] - [ 0.0005581400000000, 0.0003370300000000, -0.0008401000000000 ] - [ 0.0011601000000000, -0.0011005700000000, -0.0028385100000000 ] - [ 0.0005989400000000, 0.0002593000000000, -0.0009453500000000 ] - [ -0.1161136800000000, -0.0303533200000000, 0.3722002300000000 ] - [ 0.0004738400000000, 0.0003697200000000, 0.0002511200000000 ] - [ -0.0021762000000000, 0.0005931200000000, 0.0046948000000000 ] - [ 0.0002824900000000, 0.0005059900000000, 0.0002135100000000 ] - [ 0.0000310800000000, 0.0003740500000000, -0.0005633200000000 ] - [ 0.0013120500000000, 0.0023887000000000, -0.0027144100000000 ] - [ -0.0000262300000000, 0.0005238900000000, -0.0005661300000000 ] - [ 0.0008020000000000, -0.0014167200000000, -0.0027355900000000 ] - [ 0.0010295200000000, -0.0010838600000000, -0.0005399600000000 ] - [ -0.0059324300000000, -0.0036229200000000, 0.0034293400000000 ] - [ -0.0002389900000000, -0.0004034800000000, 0.0003740900000000 ] - [ -0.0011289100000000, 0.0000160300000000, 0.0023475600000000 ] - [ 0.0018166600000000, 0.0000462700000000, -0.0035938800000000 ] - [ 0.0004898500000000, -0.0004096600000000, -0.0004714900000000 ] - [ 0.0008462900000000, -0.0016560700000000, -0.0020250500000000 ] - [ 0.0004491400000000, -0.0006099400000000, -0.0004539300000000 ] - [ 0.0002563900000000, -0.0003861500000000, -0.0003499900000000 ] - [ -0.0020220900000000, 0.0014933100000000, 0.0020631500000000 ] - [ 0.0002020200000000, -0.0002848200000000, -0.0002234200000000 ] - [ -0.0002297700000000, -0.0015778700000000, 0.0008407300000000 ] - [ 0.0164059000000000, 0.1003577300000000, -0.1061101000000000 ] - [ -0.0007041000000000, -0.0003613700000000, 0.0001132700000000 ] - [ 0.0019523900000000, 0.0018626300000000, -0.0006723000000000 ] - [ -0.0006850100000000, -0.0005203300000000, 0.0002119200000000 ] - [ 0.0004064800000000, 0.0017653600000000, 0.0022653400000000 ] - [ -0.0005589100000000, 0.0006765400000000, 0.0006352400000000 ] - [ -0.0003314000000000, -0.0001213500000000, 0.0029159300000000 ] - [ -0.0005015500000000, 0.0005110000000000, 0.0006133200000000 ] - [ -0.0012413300000000, 0.0006261900000000, -0.0002107800000000 ] - [ 0.0052353600000000, 0.0015056100000000, 0.0003076600000000 ] - [ -0.0005357100000000, 0.0008979400000000, -0.0004236500000000 ] - [ 0.0010728700000000, 0.0008909600000000, -0.0010467200000000 ] - [ 0.0321610300000000, -0.0806247200000000, -0.0937732800000000 ] - [ -0.0007404200000000, 0.0004341700000000, -0.0004580200000000 ] - [ 0.0010156600000000, -0.0026798700000000, -0.0014468100000000 ] - [ -0.0005211100000000, 0.0004603600000000, -0.0003768200000000 ] - [ 0.0000566900000000, 0.0003064600000000, 0.0002458500000000 ] - [ -0.0022925100000000, -0.0019623600000000, 0.0028014000000000 ] - [ 0.0000689200000000, 0.0002075900000000, 0.0002850000000000 ] - [ -0.0000282700000000, 0.0013878200000000, 0.0016704800000000 ] - [ -0.0008234800000000, 0.0000235800000000, 0.0005167900000000 ] - [ 0.0028011400000000, 0.0008764600000000, -0.0001502600000000 ] - [ -0.0006696200000000, -0.0008554400000000, 0.0002114500000000 ] - [ 0.0021586600000000, -0.0023771000000000, -0.0009929200000000 ] - [ 0.0003850300000000, -0.0011589400000000, 0.0032713300000000 ] - [ -0.0006023300000000, -0.0006596200000000, 0.0001044300000000 ] - [ 0.0000368900000000, -0.0000924200000000, 0.0008906800000000 ] - [ -0.0004995300000000, -0.0005211600000000, 0.0000305100000000 ] - [ 0.0018923100000000, 0.0020240400000000, 0.0028757700000000 ] - [ -0.0007953700000000, 0.0001794900000000, 0.0005582900000000 ] - [ 0.0006410400000000, -0.0005967500000000, 0.0009003600000000 ] - [ -0.0006369800000000, 0.0000633700000000, 0.0005264100000000 ] - [ 0.0015136400000000, 0.0016160700000000, -0.0035811900000000 ] - [ -0.0011112200000000, 0.0000068300000000, -0.0013267000000000 ] - [ 0.0009323100000000, 0.0004388800000000, -0.0009025300000000 ] - [ -0.0010689900000000, 0.0005128900000000, -0.0007181800000000 ] - [ -0.0007646700000000, 0.0009456600000000, 0.0013457800000000 ] - [ -0.0001078200000000, 0.0005227500000000, 0.0006448700000000 ] - [ -0.0004271500000000, -0.0002962000000000, 0.0011048800000000 ] - [ -0.0001804700000000, 0.0001820900000000, 0.0004862100000000 ] - [ -0.0088905300000000, -0.0019224200000000, 0.0177124800000000 ] - [ 0.0001009600000000, 0.0002208900000000, 0.0001056100000000 ] - [ 0.0004025200000000, 0.0001852200000000, 0.0003345200000000 ] - [ -0.0001172800000000, 0.0002153400000000, 0.0001803000000000 ] - [ 0.0014280900000000, -0.0011542600000000, 0.0030834500000000 ] - [ -0.0008588200000000, 0.0001429500000000, 0.0003552400000000 ] - [ -0.0001280200000000, 0.0013209900000000, 0.0012909400000000 ] - [ -0.0007655500000000, 0.0002223600000000, 0.0003280000000000 ] - [ -0.0022888900000000, -0.0001885700000000, -0.0028804300000000 ] - [ -0.0012216000000000, -0.0003821600000000, -0.0016722000000000 ] - [ 0.0012968700000000, 0.0001465700000000, -0.0014883600000000 ] - [ -0.0006601200000000, -0.0003867000000000, -0.0012764300000000 ] - [ 0.0000768700000000, -0.0004475100000000, 0.0011102600000000 ] - [ 0.0003363900000000, -0.0005589100000000, 0.0009644800000000 ] - [ 0.0003420700000000, 0.0002270100000000, 0.0006770400000000 ] - [ 0.0001597300000000, -0.0003704900000000, 0.0006064800000000 ] - [ -0.0055818500000000, 0.0200816100000000, 0.0030217600000000 ] - [ -0.0006121900000000, -0.0001387400000000, -0.0003244000000000 ] - [ -0.0004696600000000, -0.0045044800000000, -0.0014533900000000 ] - [ -0.0005628400000000, -0.0003470900000000, -0.0003494500000000 ] - [ -0.0006730000000000, 0.0004420000000000, 0.0034417600000000 ] - [ -0.0004975500000000, -0.0002826800000000, 0.0003320600000000 ] - [ -0.0007623600000000, -0.0003773600000000, 0.0015996500000000 ] - [ -0.0004616700000000, -0.0002459600000000, 0.0002846800000000 ] - [ -0.0009001400000000, 0.0000670600000000, -0.0007267600000000 ] - [ 0.0007011000000000, -0.0000467500000000, -0.0041919700000000 ] - [ 0.0001539900000000, -0.0006440800000000, -0.0005610300000000 ] - [ 0.0004494500000000, -0.0000356400000000, -0.0019383600000000 ] - [ -0.0002285300000000, 0.0000312900000000, 0.0012779300000000 ] - [ -0.0010986200000000, -0.0002925800000000, 0.0027744200000000 ] - [ -0.0002556400000000, -0.0001572300000000, 0.0012421100000000 ] - [ -0.0009521200000000, 0.0002934900000000, 0.0025352900000000 ] - [ 0.0554691600000000, 0.0118511200000000, -0.1351989800000000 ] - [ -0.0004276900000000, 0.0001130200000000, -0.0006157900000000 ] - [ 0.0021456000000000, -0.0005344800000000, -0.0040781100000000 ] - [ -0.0003217900000000, 0.0000878700000000, -0.0005386300000000 ] - [ 0.0049193300000000, 0.0035497500000000, -0.0011340500000000 ] - [ -0.0007912200000000, 0.0004872200000000, 0.0010056100000000 ] - [ 0.0031382200000000, -0.0027362200000000, -0.0002984100000000 ] - [ -0.0002976000000000, -0.0007689200000000, 0.0006717700000000 ] - [ -0.0004681600000000, -0.0014163000000000, -0.0058580500000000 ] - [ -0.0000002800000000, -0.0002876100000000, -0.0003319500000000 ] - [ -0.0004333100000000, -0.0000680700000000, -0.0014522000000000 ] - [ 0.0001079800000000, -0.0002270400000000, -0.0001752100000000 ] - [ -0.0075949700000000, 0.0012672100000000, 0.0074350500000000 ] - [ 0.0010186400000000, 0.0002583600000000, 0.0005722900000000 ] - [ -0.0070882700000000, 0.0006642600000000, 0.0091496900000000 ] - [ 0.0011233100000000, 0.0001904500000000, 0.0005398800000000 ] - [ -0.0021760100000000, 0.0003883700000000, -0.0008394700000000 ] - [ 0.0024473400000000, 0.0002293100000000, -0.0013148000000000 ] - [ -0.0007101800000000, 0.0002336800000000, -0.0005580900000000 ] - [ 0.0014380800000000, 0.0001547900000000, -0.0008356700000000 ] - [ -0.0063953800000000, 0.0112971400000000, -0.0089435800000000 ] - [ 0.0006587100000000, 0.0001218000000000, -0.0000869800000000 ] - [ -0.0030666100000000, -0.0036858400000000, -0.0005642000000000 ] - [ 0.0005451600000000, -0.0002688300000000, -0.0000488700000000 ] - [ 0.0013138300000000, -0.0001712900000000, -0.0008009900000000 ] - [ -0.0010389700000000, -0.0007140200000000, -0.0027681200000000 ] - [ 0.0008213700000000, 0.0000564100000000, -0.0004087500000000 ] - [ -0.0005625600000000, 0.0001982900000000, -0.0010108100000000 ] - [ 0.0006737300000000, -0.0004237000000000, 0.0008146600000000 ] - [ 0.0069568600000000, 0.0053554300000000, 0.0011063800000000 ] - [ 0.0009522600000000, 0.0006847800000000, 0.0009479500000000 ] - [ 0.0060411400000000, -0.0058111000000000, 0.0003386400000000 ] - [ 0.0025827800000000, -0.0012414400000000, -0.0281132200000000 ] - [ 0.0002638600000000, 0.0000637300000000, -0.0000068600000000 ] - [ -0.0010974300000000, 0.0000274100000000, -0.0016292500000000 ] - [ 0.0001600000000000, 0.0000826800000000, -0.0000872800000000 ]- atom: 33 displacement: [ 0.0099996587985401, 0.0000000000000000, -0.0000826069777877 ] forces: - [ -0.0000549900000000, -0.0005469400000000, -0.0001952700000000 ] - [ -0.0004554000000000, 0.0004654400000000, 0.0004860100000000 ] - [ 0.0000094100000000, 0.0000576000000000, -0.0001270900000000 ] - [ 0.0000639000000000, -0.0004962400000000, -0.0000836600000000 ] - [ -0.0033158900000000, -0.0013666500000000, 0.0052263800000000 ] - [ -0.0008445700000000, -0.0006715100000000, 0.0003657700000000 ] - [ 0.0002953300000000, -0.0000424000000000, 0.0001169500000000 ] - [ -0.0005832800000000, -0.0002310500000000, 0.0004336700000000 ] - [ 0.0014726400000000, -0.0003091800000000, -0.0018721800000000 ] - [ -0.0007580000000000, 0.0003094600000000, 0.0008729000000000 ] - [ 0.0005513100000000, 0.0002090100000000, -0.0004381500000000 ] - [ -0.0005675500000000, 0.0002533200000000, 0.0007618900000000 ] - [ 0.0000041600000000, -0.0027049300000000, -0.0005799100000000 ] - [ 0.0006159900000000, 0.0032907000000000, 0.0000760600000000 ] - [ -0.0019621500000000, 0.0028692000000000, 0.0031775000000000 ] - [ -0.0021837000000000, -0.0029558400000000, 0.0002860500000000 ] - [ -0.0000993500000000, 0.0003907600000000, 0.0000159200000000 ] - [ -0.0010403000000000, 0.0022986800000000, 0.0022599400000000 ] - [ 0.0000135600000000, 0.0007587300000000, 0.0000761100000000 ] - [ 0.0000135200000000, -0.0000107800000000, 0.0005229900000000 ] - [ 0.0014787600000000, 0.0012048800000000, -0.0021843100000000 ] - [ -0.0006695500000000, 0.0003867600000000, 0.0003776300000000 ] - [ 0.0579491900000000, -0.0228799300000000, -0.0145230700000000 ] - [ -0.0008543100000000, 0.0004182900000000, 0.0003882000000000 ] - [ 0.0006118100000000, -0.0006149200000000, -0.0006463300000000 ] - [ -0.0005505100000000, -0.0004940000000000, 0.0002583300000000 ] - [ -0.0000149100000000, -0.0005764500000000, 0.0000764500000000 ] - [ -0.0004600100000000, -0.0004733000000000, 0.0002055400000000 ] - [ -0.0010409600000000, -0.0004127600000000, 0.0014786100000000 ] - [ 0.0018553500000000, -0.0020819600000000, -0.0048702500000000 ] - [ -0.0004385300000000, -0.0006522600000000, 0.0007971100000000 ] - [ 0.0007203000000000, -0.0001008900000000, -0.0007687000000000 ] - [ -0.0789154300000000, 0.0226486100000000, 0.0368158800000000 ] - [ 0.0013501200000000, -0.0005491800000000, -0.0004226400000000 ] - [ -0.0008036800000000, -0.0007172500000000, 0.0001078900000000 ] - [ 0.0008967400000000, -0.0004907000000000, -0.0004281500000000 ] - [ 0.0003966200000000, -0.0002865300000000, 0.0005733500000000 ] - [ -0.0005322800000000, -0.0023352300000000, -0.0018998600000000 ] - [ 0.0003950800000000, -0.0007784600000000, 0.0005173500000000 ] - [ -0.0005105100000000, 0.0002093000000000, -0.0001918700000000 ] - [ 0.0004973700000000, 0.0006102600000000, 0.0000070100000000 ] - [ -0.0007824000000000, 0.0002840100000000, 0.0007653300000000 ] - [ 0.0006047500000000, 0.0001265100000000, -0.0001583400000000 ] - [ -0.0015536700000000, 0.0020839000000000, 0.0015613300000000 ] - [ -0.0008447000000000, 0.0004981500000000, -0.0003577200000000 ] - [ 0.0007541300000000, 0.0005623200000000, -0.0004357500000000 ] - [ -0.0002249900000000, 0.0004353600000000, -0.0007007100000000 ] - [ 0.0006301400000000, 0.0005233300000000, -0.0004330000000000 ] - [ 0.0006624700000000, 0.0004291200000000, 0.0001527000000000 ] - [ 0.0010929000000000, -0.0005028500000000, -0.0050279100000000 ] - [ 0.0003603900000000, 0.0002653900000000, -0.0001627300000000 ] - [ -0.0005393000000000, 0.0005787000000000, -0.0003855000000000 ] - [ -0.0053183200000000, -0.0023732800000000, 0.0006614200000000 ] - [ 0.0012803300000000, 0.0007018500000000, 0.0001357400000000 ] - [ -0.0195589700000000, 0.0115507400000000, 0.0006530400000000 ] - [ 0.0010104900000000, 0.0006077700000000, 0.0001183400000000 ] - [ -0.0005861100000000, -0.0001697000000000, 0.0003367800000000 ] - [ 0.0006754200000000, -0.0005628900000000, 0.0001288800000000 ] - [ -0.0007156300000000, -0.0002665100000000, -0.0001615800000000 ] - [ 0.0007185600000000, -0.0005615900000000, 0.0001488200000000 ] - [ 0.0007995900000000, -0.0000533800000000, -0.0007806800000000 ] - [ -0.0011279000000000, -0.0009239600000000, 0.0017819900000000 ] - [ 0.0005330900000000, -0.0002062700000000, -0.0005446900000000 ] - [ -0.0010410400000000, -0.0010051500000000, 0.0001494400000000 ] - [ 0.0054594800000000, -0.0022046600000000, -0.0003503900000000 ] - [ 0.0023702500000000, 0.0009955100000000, 0.0000597500000000 ] - [ -0.0002941400000000, 0.0010994200000000, 0.0007923700000000 ] - [ 0.0003293500000000, -0.0011297900000000, -0.0002858300000000 ] - [ -0.0007015400000000, 0.0010780500000000, 0.0026417700000000 ] - [ 0.0008307000000000, -0.0001023700000000, -0.0006665800000000 ] - [ -0.0009609200000000, -0.0006866300000000, 0.0002707700000000 ] - [ 0.0006820400000000, 0.0002132100000000, -0.0005493200000000 ] - [ -0.0004833500000000, 0.0002656400000000, -0.0004602900000000 ] - [ 0.0005548300000000, -0.0001039600000000, -0.0001874300000000 ] - [ 0.0017004000000000, -0.0008667000000000, -0.0027310400000000 ] - [ 0.0005986400000000, 0.0002355400000000, -0.0001037000000000 ] - [ 0.0001334300000000, 0.0001887600000000, -0.0000948400000000 ] - [ 0.0004491000000000, 0.0001937400000000, 0.0001483000000000 ] - [ -0.0000229400000000, -0.0001568700000000, 0.0000279700000000 ] - [ 0.0001413800000000, 0.0003132000000000, 0.0002465800000000 ] - [ 0.0030697800000000, 0.0031988900000000, -0.0009770100000000 ] - [ 0.0022395700000000, -0.0033394700000000, 0.0019589900000000 ] - [ 0.0001468800000000, -0.0018641600000000, -0.0004749800000000 ] - [ 0.0001601400000000, 0.0023808400000000, 0.0002057700000000 ] - [ -0.0004471700000000, 0.0001364900000000, 0.0017190200000000 ] - [ 0.0010249400000000, 0.0002165200000000, -0.0001927800000000 ] - [ -0.0002107400000000, 0.0001720300000000, 0.0000250500000000 ] - [ 0.0008277600000000, 0.0002197500000000, -0.0001597600000000 ] - [ 0.0003752800000000, 0.0010004200000000, -0.0037289200000000 ] - [ 0.0012390800000000, -0.0001144100000000, 0.0002848300000000 ] - [ 0.0000283400000000, -0.0007162700000000, 0.0000177500000000 ] - [ 0.0008277400000000, -0.0002135000000000, 0.0000724300000000 ] - [ -0.0002665200000000, 0.0000443400000000, 0.0001627800000000 ] - [ -0.0001161900000000, -0.0008151700000000, -0.0002886800000000 ] - [ -0.0002053900000000, -0.0005176400000000, 0.0002303200000000 ] - [ -0.0002121900000000, 0.0000415000000000, -0.0002552300000000 ] - [ 0.0015280000000000, -0.0000178900000000, -0.0023073600000000 ] - [ 0.0031392400000000, 0.0014275000000000, 0.0033908300000000 ] - [ 0.0006202300000000, 0.0007544400000000, -0.0010590700000000 ] - [ -0.0008107800000000, -0.0008603400000000, 0.0005030600000000 ] - [ -0.0014852800000000, 0.0004720100000000, 0.0014291400000000 ] - [ 0.0006534900000000, -0.0002930300000000, -0.0001640100000000 ] - [ -0.0006375700000000, 0.0003396800000000, 0.0001151500000000 ] - [ 0.0005340500000000, -0.0002369900000000, -0.0000522900000000 ] - [ -0.0014826400000000, 0.0003806100000000, 0.0011989900000000 ] - [ 0.0007265500000000, 0.0001477100000000, 0.0000287000000000 ] - [ -0.0057083000000000, -0.0151645300000000, -0.0198284100000000 ] - [ 0.0008068900000000, 0.0002993100000000, -0.0000331200000000 ] - [ 0.0002123400000000, 0.0001920800000000, -0.0002669100000000 ] - [ 0.0012057900000000, -0.0004784100000000, -0.0023085100000000 ] - [ 0.0001284800000000, 0.0000016900000000, -0.0003994200000000 ] - [ 0.0000203900000000, 0.0002452800000000, -0.0006650100000000 ] - [ 0.0009953300000000, -0.0001522600000000, 0.0004589800000000 ] - [ -0.0005320500000000, -0.0003470900000000, -0.0001893400000000 ] - [ 0.0008135000000000, -0.0003441500000000, 0.0000114400000000 ] - [ -0.0003814500000000, -0.0001334900000000, -0.0001534000000000 ] - [ -0.0011845400000000, -0.0008902500000000, 0.0014966400000000 ] - [ -0.0010130000000000, 0.0004198800000000, -0.0011566200000000 ] - [ -0.0008586300000000, 0.0005192600000000, 0.0007235000000000 ] - [ -0.0005390600000000, -0.0007863500000000, -0.0005140900000000 ] - [ -0.0005866900000000, -0.0004309600000000, -0.0004399800000000 ] - [ -0.0010967900000000, 0.0009204700000000, 0.0006629000000000 ] - [ -0.0014989100000000, 0.0013775300000000, -0.0019466900000000 ] - [ -0.0017554800000000, -0.0008090800000000, 0.0013908900000000 ] - [ 0.0191086300000000, 0.0115988900000000, -0.0011920100000000 ] - [ -0.0022275700000000, 0.0005527900000000, -0.0001622600000000 ] - [ 0.0018374600000000, 0.0019179500000000, -0.0008797200000000 ] - [ -0.0010269600000000, -0.0000058500000000, -0.0001406600000000 ] - [ -0.0011553200000000, 0.0000094300000000, 0.0000168700000000 ] - [ 0.0006628300000000, -0.0004343900000000, 0.0000742400000000 ] - [ -0.0009600200000000, -0.0000729500000000, -0.0000208500000000 ] - [ 0.0004281600000000, 0.0001114500000000, 0.0000762300000000 ] - [ 0.0029814900000000, -0.0001360200000000, 0.0001252000000000 ] - [ -0.0009224200000000, -0.0000947500000000, 0.0000076000000000 ] - [ 0.0027002600000000, 0.0011491500000000, 0.0011649900000000 ] - [ -0.0007951600000000, -0.0000887000000000, 0.0000144700000000 ] - [ 0.0026282300000000, 0.0003004600000000, 0.0006844600000000 ] - [ -0.0007797800000000, 0.0000697800000000, -0.0000164900000000 ] - [ 0.0081414400000000, -0.0005223200000000, 0.0010960800000000 ] - [ -0.0009751000000000, 0.0001287800000000, -0.0000091700000000 ] - [ -0.0029111800000000, -0.0003916400000000, -0.0005459300000000 ] - [ 0.0143506900000000, -0.0046553500000000, -0.0015645500000000 ] - [ -0.0015029400000000, 0.0002782400000000, -0.0004057900000000 ] - [ -0.0000283700000000, -0.0010530200000000, -0.0001016300000000 ]- atom: 33 displacement: [ -0.0099996587985401, 0.0000000000000000, 0.0000826069777877 ] forces: - [ 0.0002937300000000, 0.0000679500000000, -0.0003216100000000 ] - [ 0.0006941400000000, -0.0009483900000000, -0.0010020800000000 ] - [ 0.0002309100000000, -0.0005366400000000, -0.0003871500000000 ] - [ 0.0001681700000000, 0.0000209900000000, -0.0004243900000000 ] - [ 0.0031441300000000, 0.0009714200000000, -0.0047914500000000 ] - [ 0.0006110300000000, 0.0001973400000000, 0.0001489800000000 ] - [ -0.0005346400000000, -0.0004589000000000, 0.0003975900000000 ] - [ 0.0003483200000000, -0.0002515400000000, 0.0000797600000000 ] - [ -0.0017056000000000, 0.0007997200000000, 0.0023649900000000 ] - [ 0.0005240800000000, 0.0001711100000000, -0.0003659700000000 ] - [ -0.0007869100000000, 0.0002542300000000, 0.0009557800000000 ] - [ 0.0003312200000000, 0.0002248600000000, -0.0002519200000000 ] - [ 0.0002308900000000, 0.0031578000000000, 0.0000631600000000 ] - [ -0.0003881500000000, -0.0028533400000000, -0.0005907500000000 ] - [ 0.0021922200000000, -0.0023575600000000, -0.0036582700000000 ] - [ 0.0024338600000000, 0.0034771700000000, -0.0007898000000000 ] - [ 0.0003202100000000, 0.0006521500000000, 0.0002125400000000 ] - [ 0.0012672600000000, -0.0012470800000000, -0.0020414800000000 ] - [ 0.0002094200000000, 0.0002834000000000, 0.0001528900000000 ] - [ 0.0002011700000000, 0.0010433000000000, -0.0002815700000000 ] - [ -0.0016932500000000, -0.0002048000000000, 0.0019435200000000 ] - [ 0.0004502000000000, 0.0006520800000000, -0.0006106600000000 ] - [ -0.0587345300000000, 0.0251170300000000, 0.0148968600000000 ] - [ 0.0006363500000000, 0.0006284200000000, -0.0006202500000000 ] - [ -0.0008295200000000, -0.0004256300000000, 0.0004054100000000 ] - [ 0.0003323100000000, -0.0005488200000000, -0.0004935700000000 ] - [ -0.0002081500000000, -0.0004686500000000, -0.0003035500000000 ] - [ 0.0002410300000000, -0.0005691000000000, -0.0004392700000000 ] - [ 0.0012607000000000, -0.0006254300000000, -0.0012411900000000 ] - [ -0.0016614900000000, 0.0010555300000000, 0.0051429700000000 ] - [ 0.0006572900000000, -0.0003926000000000, -0.0005617900000000 ] - [ -0.0005065400000000, -0.0009539700000000, 0.0010078000000000 ] - [ 0.0800474700000000, -0.0266619800000000, -0.0381618000000000 ] - [ -0.0010194400000000, -0.0004785800000000, -0.0002619400000000 ] - [ 0.0011320500000000, -0.0002649500000000, -0.0007888600000000 ] - [ -0.0005648400000000, -0.0005315100000000, -0.0002551700000000 ] - [ -0.0007299000000000, -0.0007375000000000, 0.0001139400000000 ] - [ 0.0002032600000000, 0.0013192900000000, 0.0026130400000000 ] - [ -0.0007305100000000, -0.0002478600000000, 0.0001680900000000 ] - [ 0.0001964200000000, -0.0012321000000000, 0.0008650900000000 ] - [ -0.0008329800000000, 0.0004149300000000, 0.0006751600000000 ] - [ 0.0004530100000000, 0.0007474000000000, -0.0000840000000000 ] - [ -0.0009426700000000, 0.0008945900000000, 0.0008398700000000 ] - [ 0.0012386400000000, -0.0010754300000000, -0.0008823800000000 ] - [ 0.0011800500000000, 0.0005220600000000, -0.0003221200000000 ] - [ -0.0004226500000000, 0.0004615000000000, -0.0002481500000000 ] - [ 0.0005600300000000, 0.0005956500000000, 0.0000177400000000 ] - [ -0.0002982600000000, 0.0005013400000000, -0.0002513200000000 ] - [ -0.0009321100000000, 0.0004225600000000, -0.0006295200000000 ] - [ -0.0013524300000000, 0.0013448900000000, 0.0045893900000000 ] - [ -0.0006317500000000, 0.0005885700000000, -0.0003161400000000 ] - [ 0.0002730200000000, 0.0002846100000000, -0.0001018900000000 ] - [ 0.0056022100000000, 0.0032482800000000, -0.0001931700000000 ] - [ -0.0010118500000000, 0.0001530600000000, 0.0003436500000000 ] - [ 0.0199556000000000, -0.0102809100000000, -0.0001509900000000 ] - [ -0.0007435000000000, 0.0002413100000000, 0.0003614400000000 ] - [ 0.0008558900000000, -0.0006803000000000, 0.0001469900000000 ] - [ -0.0004077400000000, -0.0002875300000000, 0.0003518500000000 ] - [ 0.0009895800000000, -0.0005884500000000, 0.0006446100000000 ] - [ -0.0004512000000000, -0.0002901100000000, 0.0003316100000000 ] - [ -0.0010708200000000, -0.0007994300000000, 0.0002990900000000 ] - [ 0.0008728200000000, 0.0000718300000000, -0.0022713800000000 ] - [ -0.0008052600000000, -0.0006430600000000, 0.0000638000000000 ] - [ 0.0007832500000000, 0.0001650600000000, -0.0006277600000000 ] - [ -0.0054185800000000, 0.0020108700000000, 0.0008720000000000 ] - [ -0.0023974700000000, -0.0011843600000000, 0.0004697100000000 ] - [ 0.0002750200000000, -0.0012493900000000, -0.0002565200000000 ] - [ -0.0003322900000000, 0.0009787900000000, 0.0008255900000000 ] - [ 0.0007092700000000, -0.0012439500000000, -0.0031497000000000 ] - [ -0.0008257400000000, -0.0000660800000000, 0.0001382200000000 ] - [ 0.0009529100000000, 0.0005175400000000, -0.0008183800000000 ] - [ -0.0006725700000000, -0.0003835600000000, 0.0000176800000000 ] - [ 0.0004900600000000, -0.0000893800000000, -0.0000708900000000 ] - [ -0.0005471400000000, 0.0002751200000000, -0.0003469300000000 ] - [ -0.0017186200000000, 0.0010292800000000, 0.0022470200000000 ] - [ -0.0005897100000000, -0.0000696600000000, -0.0004316700000000 ] - [ -0.0001461200000000, -0.0000228100000000, 0.0006305600000000 ] - [ -0.0004583300000000, -0.0000258500000000, 0.0003853700000000 ] - [ 0.0000098100000000, 0.0003268200000000, 0.0005074700000000 ] - [ -0.0001473000000000, -0.0001440400000000, 0.0002849800000000 ] - [ -0.0037273300000000, -0.0027087700000000, 0.0010652100000000 ] - [ -0.0029544200000000, 0.0038513600000000, -0.0018837100000000 ] - [ -0.0008478200000000, 0.0023130400000000, 0.0005652200000000 ] - [ -0.0008351500000000, -0.0019375500000000, -0.0001046100000000 ] - [ 0.0011247800000000, 0.0003168900000000, -0.0018071100000000 ] - [ -0.0003399300000000, 0.0002516300000000, 0.0000939500000000 ] - [ 0.0008954700000000, 0.0003105100000000, -0.0001260400000000 ] - [ -0.0001419600000000, 0.0002511800000000, 0.0000603000000000 ] - [ 0.0002826400000000, -0.0015220400000000, 0.0036227500000000 ] - [ -0.0005564100000000, -0.0003572300000000, -0.0003890100000000 ] - [ 0.0006529600000000, 0.0002687100000000, -0.0001116200000000 ] - [ -0.0001408200000000, -0.0002541200000000, -0.0001737100000000 ] - [ -0.0004212300000000, -0.0005131100000000, -0.0000598400000000 ] - [ -0.0005697800000000, 0.0003496200000000, 0.0003918500000000 ] - [ -0.0004848100000000, 0.0000466500000000, -0.0001272600000000 ] - [ -0.0004711000000000, -0.0005150600000000, 0.0003567900000000 ] - [ -0.0015833800000000, -0.0002174600000000, 0.0016276500000000 ] - [ -0.0032291500000000, -0.0016761400000000, -0.0041050800000000 ] - [ -0.0006774000000000, -0.0009793600000000, 0.0003882400000000 ] - [ 0.0007664800000000, 0.0006430800000000, -0.0011749800000000 ] - [ 0.0015382400000000, -0.0007037200000000, -0.0007522400000000 ] - [ -0.0005981500000000, 0.0000614700000000, 0.0008345900000000 ] - [ 0.0006893700000000, -0.0005647000000000, 0.0005424500000000 ] - [ -0.0004776700000000, 0.0000044700000000, 0.0007207300000000 ] - [ 0.0015382900000000, -0.0001327200000000, -0.0005409200000000 ] - [ -0.0006714700000000, 0.0000863500000000, 0.0006364600000000 ] - [ 0.0055378900000000, 0.0154107700000000, 0.0205068400000000 ] - [ -0.0007517900000000, -0.0000687200000000, 0.0006986800000000 ] - [ -0.0002722400000000, 0.0000410300000000, -0.0003954200000000 ] - [ -0.0012698700000000, 0.0007099500000000, 0.0016524700000000 ] - [ -0.0001898100000000, 0.0002321000000000, -0.0002644000000000 ] - [ -0.0000718300000000, -0.0000111200000000, -0.0000089300000000 ] - [ -0.0004467400000000, -0.0003076800000000, -0.0007742500000000 ] - [ 0.0010775100000000, -0.0001195900000000, -0.0001143100000000 ] - [ -0.0002653300000000, -0.0001304500000000, -0.0003167800000000 ] - [ 0.0009266000000000, -0.0003375200000000, -0.0001501300000000 ] - [ 0.0006462500000000, 0.0004269100000000, -0.0011842200000000 ] - [ 0.0004664300000000, -0.0008916100000000, 0.0014730700000000 ] - [ 0.0003320700000000, -0.0009961200000000, -0.0004219600000000 ] - [ -0.0000157300000000, 0.0003200800000000, 0.0008189700000000 ] - [ 0.0000406200000000, 0.0008896200000000, 0.0007390600000000 ] - [ 0.0005520000000000, -0.0004635700000000, -0.0003640600000000 ] - [ 0.0009520900000000, -0.0008949600000000, 0.0022357700000000 ] - [ 0.0012092600000000, 0.0012916000000000, -0.0010984800000000 ] - [ -0.0179439300000000, -0.0104054600000000, 0.0008527400000000 ] - [ 0.0027900200000000, -0.0000857700000000, -0.0001404400000000 ] - [ -0.0012281500000000, -0.0014817400000000, 0.0005864400000000 ] - [ 0.0015714900000000, 0.0004758300000000, -0.0001631100000000 ] - [ 0.0005069000000000, -0.0001137800000000, -0.0002167900000000 ] - [ -0.0013227900000000, 0.0003352900000000, -0.0002777100000000 ] - [ 0.0003112800000000, -0.0000353900000000, -0.0001785700000000 ] - [ -0.0010857700000000, -0.0002240000000000, -0.0002774600000000 ] - [ -0.0023384800000000, 0.0000376600000000, 0.0000698200000000 ] - [ 0.0015776500000000, -0.0000121100000000, 0.0001936800000000 ] - [ -0.0020668100000000, -0.0012756800000000, -0.0010058700000000 ] - [ 0.0014501500000000, -0.0000171000000000, 0.0001860300000000 ] - [ -0.0019804700000000, -0.0002176800000000, -0.0004859200000000 ] - [ 0.0014335100000000, 0.0000339400000000, 0.0002144000000000 ] - [ -0.0074916400000000, 0.0006805900000000, -0.0008449300000000 ] - [ 0.0016286900000000, -0.0000198100000000, 0.0002064900000000 ] - [ 0.0022507900000000, 0.0004976000000000, 0.0003460700000000 ] - [ -0.0157531000000000, 0.0053444000000000, 0.0014566200000000 ] - [ 0.0008563100000000, -0.0001724800000000, 0.0002072700000000 ] - [ -0.0006917600000000, 0.0011133900000000, -0.0000895700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000950400000000, -0.0002230100000000, -0.0006761400000000 ] - [ 0.0005985700000000, -0.0007039400000000, -0.0008262500000000 ] - [ 0.0004441300000000, -0.0002734700000000, -0.0003774900000000 ] - [ -0.0002909500000000, 0.0001296500000000, 0.0000948200000000 ] - [ 0.0074445100000000, 0.0130500300000000, -0.0079667200000000 ] - [ -0.0001436700000000, 0.0002196200000000, 0.0004081300000000 ] - [ -0.0013056000000000, -0.0037978200000000, 0.0013810900000000 ] - [ -0.0001161000000000, -0.0007090000000000, 0.0003180300000000 ] - [ 0.0004125100000000, 0.0018362900000000, -0.0032966800000000 ] - [ 0.0000558600000000, 0.0004630400000000, -0.0000083900000000 ] - [ -0.0004244800000000, -0.0021349600000000, 0.0017478600000000 ] - [ -0.0002036800000000, 0.0000394600000000, 0.0003114100000000 ] - [ 0.0002644800000000, -0.0033025900000000, -0.0011497800000000 ] - [ -0.0001832100000000, -0.0034409900000000, -0.0007644800000000 ] - [ 0.0005203000000000, 0.0026221400000000, 0.0011327100000000 ] - [ -0.0006313500000000, 0.0035266200000000, 0.0003309500000000 ] - [ -0.0000448000000000, 0.0008438500000000, -0.0000172700000000 ] - [ 0.0012063800000000, 0.0009387300000000, -0.0018316900000000 ] - [ 0.0004108400000000, 0.0002620500000000, -0.0000988500000000 ] - [ -0.0004023500000000, -0.0012515000000000, 0.0011541400000000 ] - [ -0.0027181700000000, -0.0093648600000000, 0.0021670200000000 ] - [ -0.0001680800000000, 0.0001396400000000, -0.0001269300000000 ] - [ -0.0244164700000000, 0.2411604100000000, 0.0936489100000000 ] - [ -0.0000789200000000, 0.0008921800000000, 0.0000361900000000 ] - [ 0.0003759300000000, -0.0003146400000000, -0.0013510200000000 ] - [ -0.0000415200000000, -0.0004981000000000, -0.0002781200000000 ] - [ -0.0003843100000000, -0.0008003200000000, 0.0005124400000000 ] - [ -0.0001053100000000, -0.0005425200000000, -0.0001150900000000 ] - [ 0.0002875400000000, -0.0000054000000000, 0.0002368200000000 ] - [ -0.0004382700000000, 0.0027832500000000, 0.0010772700000000 ] - [ -0.0001255800000000, -0.0009344900000000, 0.0004962800000000 ] - [ -0.0001275900000000, -0.0024484900000000, 0.0004907200000000 ] - [ 0.0226462500000000, -0.3610219500000000, -0.1227926200000000 ] - [ 0.0001306400000000, -0.0008645900000000, -0.0004440900000000 ] - [ -0.0000490500000000, 0.0088769500000000, 0.0002485800000000 ] - [ 0.0001873700000000, -0.0002020900000000, -0.0002869200000000 ] - [ 0.0001015600000000, -0.0005536400000000, 0.0005600800000000 ] - [ -0.0008695500000000, 0.0001615700000000, 0.0026247300000000 ] - [ -0.0003925700000000, -0.0005501600000000, 0.0003271000000000 ] - [ 0.0016507400000000, 0.0001846400000000, -0.0015495800000000 ] - [ -0.0000695700000000, 0.0007124400000000, 0.0001606500000000 ] - [ -0.0004006100000000, 0.0017106800000000, 0.0000937300000000 ] - [ -0.0005514000000000, 0.0002006800000000, 0.0002674100000000 ] - [ 0.0014149900000000, -0.0013140700000000, 0.0007539200000000 ] - [ 0.0001812400000000, -0.0001462100000000, 0.0000483000000000 ] - [ 0.0001168700000000, 0.0004096700000000, -0.0002840500000000 ] - [ 0.0002494300000000, 0.0012929500000000, -0.0001057200000000 ] - [ 0.0001558200000000, 0.0005771700000000, -0.0003392900000000 ] - [ -0.0001200700000000, 0.0001336700000000, -0.0001485600000000 ] - [ -0.0011971100000000, -0.0021693300000000, 0.0025787500000000 ] - [ -0.0001510500000000, 0.0007664200000000, -0.0001653000000000 ] - [ -0.0003095900000000, 0.0022982100000000, -0.0010956300000000 ] - [ 0.0013063100000000, 0.0155287500000000, -0.0011721100000000 ] - [ 0.0002511600000000, 0.0006565400000000, 0.0002196200000000 ] - [ 0.0103365000000000, 0.0758502500000000, 0.0029369200000000 ] - [ 0.0000495300000000, 0.0002388400000000, 0.0002206600000000 ] - [ -0.0000455800000000, 0.0000716100000000, 0.0005301000000000 ] - [ 0.0001039400000000, -0.0003463700000000, 0.0002840200000000 ] - [ 0.0004736400000000, -0.0008854400000000, 0.0005689900000000 ] - [ 0.0000791000000000, -0.0004551100000000, 0.0002621000000000 ] - [ -0.0001956000000000, -0.0007585100000000, -0.0002540300000000 ] - [ -0.0006944300000000, -0.0019140600000000, -0.0013236000000000 ] - [ -0.0002424900000000, -0.0000091100000000, -0.0004129700000000 ] - [ 0.0009063000000000, 0.0011550900000000, 0.0000312800000000 ] - [ 0.0012123800000000, -0.0032532000000000, -0.0003999500000000 ] - [ -0.0007326000000000, -0.0022832300000000, -0.0003724300000000 ] - [ -0.0010950400000000, 0.0024704600000000, 0.0006893400000000 ] - [ 0.0006530200000000, 0.0018271400000000, 0.0008956400000000 ] - [ 0.0009943900000000, 0.0006789300000000, 0.0037787200000000 ] - [ -0.0002893300000000, -0.0000837000000000, -0.0000417600000000 ] - [ -0.0016165800000000, 0.0006477700000000, -0.0029107100000000 ] - [ 0.0001740600000000, -0.0001417800000000, -0.0003262900000000 ] - [ 0.0001942100000000, 0.0010962800000000, -0.0005764400000000 ] - [ -0.0000899600000000, 0.0003164400000000, -0.0003448100000000 ] - [ -0.0032651600000000, -0.0014130700000000, 0.0041545100000000 ] - [ 0.0001984600000000, -0.0002124000000000, -0.0003260200000000 ] - [ -0.0001192300000000, -0.0002460400000000, 0.0004361400000000 ] - [ -0.0002023800000000, -0.0000604600000000, 0.0004364900000000 ] - [ -0.0002752400000000, 0.0002799100000000, 0.0004721700000000 ] - [ 0.0002699500000000, 0.0001793900000000, 0.0002346100000000 ] - [ 0.0033192800000000, 0.0038314500000000, -0.0010208000000000 ] - [ -0.0026646100000000, 0.0038970200000000, -0.0015726800000000 ] - [ -0.0019953700000000, -0.0011607700000000, -0.0005378800000000 ] - [ 0.0014306000000000, -0.0016656700000000, 0.0003716600000000 ] - [ 0.0001690100000000, -0.0024127900000000, 0.0016206600000000 ] - [ 0.0003029900000000, -0.0000056100000000, 0.0000143500000000 ] - [ 0.0004570200000000, 0.0023774400000000, -0.0001979300000000 ] - [ 0.0003512500000000, 0.0004625600000000, 0.0000059900000000 ] - [ 0.0006131300000000, -0.0077974200000000, -0.0027982900000000 ] - [ 0.0002014300000000, -0.0005613000000000, -0.0002188400000000 ] - [ -0.0000166200000000, 0.0029662100000000, 0.0006351800000000 ] - [ 0.0004996000000000, 0.0001052500000000, -0.0000440200000000 ] - [ -0.0002824700000000, -0.0000701400000000, 0.0003406300000000 ] - [ -0.0004501100000000, 0.0002648300000000, 0.0002819600000000 ] - [ -0.0006180200000000, -0.0004085800000000, 0.0001415100000000 ] - [ -0.0001174700000000, -0.0006630800000000, 0.0000545500000000 ] - [ -0.0000867800000000, -0.0007387000000000, -0.0005854900000000 ] - [ -0.0004886900000000, -0.0022617600000000, -0.0013731100000000 ] - [ 0.0001872000000000, 0.0010542700000000, -0.0008418300000000 ] - [ 0.0008168500000000, 0.0015113200000000, -0.0004623700000000 ] - [ -0.0006883900000000, -0.0000043300000000, 0.0019252900000000 ] - [ -0.0000698200000000, -0.0001052100000000, 0.0005314000000000 ] - [ -0.0002302300000000, 0.0005946200000000, -0.0007476600000000 ] - [ 0.0000526300000000, -0.0001008000000000, 0.0003325700000000 ] - [ 0.0013900400000000, 0.0030681400000000, -0.0022540400000000 ] - [ -0.0000190700000000, 0.0003237100000000, 0.0002121400000000 ] - [ -0.0150582000000000, 0.0057147900000000, 0.0306732300000000 ] - [ 0.0000645100000000, -0.0000563200000000, 0.0002579200000000 ] - [ 0.0000504800000000, 0.0000483800000000, -0.0000730800000000 ] - [ -0.0008306500000000, 0.0001181800000000, 0.0010849500000000 ] - [ -0.0003304100000000, 0.0002840900000000, -0.0001479300000000 ] - [ 0.0005678400000000, 0.0004366600000000, -0.0011523200000000 ] - [ 0.0004896900000000, 0.0010623600000000, -0.0012663800000000 ] - [ 0.0002537100000000, 0.0000578800000000, -0.0002343600000000 ] - [ 0.0004248900000000, -0.0011868200000000, -0.0002424700000000 ] - [ 0.0002156400000000, -0.0005201300000000, -0.0001691400000000 ] - [ -0.0004760500000000, 0.0002074900000000, 0.0012169300000000 ] - [ 0.0000798200000000, -0.0001999000000000, 0.0009336900000000 ] - [ 0.0013430500000000, -0.0011500600000000, -0.0002733700000000 ] - [ -0.0011543900000000, -0.0003959200000000, -0.0002201900000000 ] - [ -0.0007670500000000, -0.0012478100000000, -0.0002858700000000 ] - [ 0.0000270000000000, -0.0010001800000000, -0.0000697800000000 ] - [ 0.0000732500000000, 0.0018326600000000, 0.0000670500000000 ] - [ -0.0005461900000000, 0.0016970700000000, 0.0000658200000000 ] - [ 0.0073123200000000, 0.0133824300000000, 0.0006577200000000 ] - [ 0.0012559900000000, 0.0004312100000000, -0.0000608900000000 ] - [ 0.0075755500000000, -0.0057967900000000, 0.0002723100000000 ] - [ -0.0002423200000000, 0.0000600100000000, -0.0001187300000000 ] - [ -0.0001191700000000, 0.0002560900000000, -0.0002515700000000 ] - [ -0.0007599600000000, 0.0010748200000000, -0.0004877400000000 ] - [ -0.0002132800000000, -0.0003536600000000, -0.0000870700000000 ] - [ -0.0005310300000000, -0.0009906600000000, -0.0002237700000000 ] - [ 0.0000601800000000, -0.0004182300000000, 0.0024644900000000 ] - [ 0.0003887900000000, 0.0000054400000000, 0.0001893900000000 ] - [ -0.0009227500000000, -0.0023993900000000, -0.0043948600000000 ] - [ 0.0004041800000000, -0.0001094000000000, 0.0001073800000000 ] - [ 0.0005246700000000, -0.0038791400000000, -0.0017001300000000 ] - [ 0.0003091000000000, -0.0002195500000000, 0.0000329200000000 ] - [ 0.0005896300000000, 0.0117863300000000, 0.0028473700000000 ] - [ 0.0003616500000000, 0.0003168900000000, 0.0000620700000000 ] - [ -0.0012676300000000, 0.0006210600000000, -0.0001916600000000 ] - [ -0.0045665700000000, 0.0080483500000000, 0.0011066500000000 ] - [ 0.0001703700000000, -0.0003539000000000, -0.0000260600000000 ] - [ -0.0076494100000000, -0.0072638100000000, 0.0010229500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001415900000000, -0.0002531400000000, 0.0001642500000000 ] - [ -0.0003665400000000, 0.0002315400000000, 0.0003192400000000 ] - [ -0.0002073600000000, -0.0002103500000000, -0.0001338300000000 ] - [ 0.0005276800000000, -0.0006144900000000, -0.0006061400000000 ] - [ -0.0076685900000000, -0.0135344600000000, 0.0084528400000000 ] - [ -0.0000936800000000, -0.0007003100000000, 0.0001039800000000 ] - [ 0.0010612900000000, 0.0033156800000000, -0.0008549700000000 ] - [ -0.0001184500000000, 0.0002296100000000, 0.0001954100000000 ] - [ -0.0006492800000000, -0.0013208800000000, 0.0037917500000000 ] - [ -0.0002927900000000, 0.0000179900000000, 0.0005186100000000 ] - [ 0.0001928500000000, 0.0026019800000000, -0.0012450100000000 ] - [ -0.0000326400000000, 0.0004371500000000, 0.0002000300000000 ] - [ -0.0000333100000000, 0.0037733600000000, 0.0006424400000000 ] - [ 0.0004228700000000, 0.0039291600000000, 0.0002520500000000 ] - [ -0.0002771500000000, -0.0021627200000000, -0.0016625800000000 ] - [ 0.0008449300000000, -0.0030810600000000, -0.0008328600000000 ] - [ 0.0002642500000000, 0.0002025800000000, 0.0002486600000000 ] - [ -0.0009946800000000, 0.0001454700000000, 0.0020694000000000 ] - [ -0.0001911100000000, 0.0007762400000000, 0.0003310900000000 ] - [ 0.0006263700000000, 0.0022760400000000, -0.0009250700000000 ] - [ 0.0024831000000000, 0.0104062400000000, -0.0023742300000000 ] - [ -0.0000514000000000, 0.0009030100000000, -0.0001061500000000 ] - [ 0.0265017100000000, -0.2547645100000000, -0.1029486800000000 ] - [ -0.0001412400000000, 0.0001483300000000, -0.0002684700000000 ] - [ -0.0005953700000000, -0.0007221500000000, 0.0011187300000000 ] - [ -0.0001784900000000, -0.0005439200000000, 0.0000454800000000 ] - [ 0.0001604800000000, -0.0002490400000000, -0.0007384100000000 ] - [ -0.0001142000000000, -0.0005020500000000, -0.0001176400000000 ] - [ -0.0000658000000000, -0.0010381300000000, -0.0000068600000000 ] - [ 0.0006589500000000, -0.0038388500000000, -0.0008755800000000 ] - [ 0.0003410600000000, -0.0001091100000000, -0.0002575600000000 ] - [ 0.0003466800000000, 0.0014105400000000, -0.0002485600000000 ] - [ -0.0246229100000000, 0.3755637700000000, 0.1313535800000000 ] - [ 0.0002031500000000, -0.0001611100000000, -0.0002398200000000 ] - [ 0.0003939300000000, -0.0099121600000000, -0.0009288300000000 ] - [ 0.0001458500000000, -0.0008234300000000, -0.0003968700000000 ] - [ -0.0004331000000000, -0.0004749400000000, 0.0001264500000000 ] - [ 0.0005335700000000, -0.0012086000000000, -0.0019344900000000 ] - [ 0.0000581700000000, -0.0004714800000000, 0.0003572300000000 ] - [ -0.0019729200000000, -0.0011854500000000, 0.0022442300000000 ] - [ -0.0002621800000000, 0.0003097600000000, 0.0005205500000000 ] - [ 0.0000667200000000, -0.0006934000000000, 0.0005845900000000 ] - [ 0.0002178000000000, 0.0008247600000000, 0.0004171800000000 ] - [ -0.0017513800000000, 0.0023502100000000, -0.0000665600000000 ] - [ 0.0001507800000000, 0.0011649900000000, -0.0007339900000000 ] - [ 0.0002166100000000, 0.0006132300000000, -0.0004005900000000 ] - [ 0.0000851600000000, -0.0002634100000000, -0.0005826300000000 ] - [ 0.0001775700000000, 0.0004473900000000, -0.0003456900000000 ] - [ -0.0001504800000000, 0.0007142500000000, -0.0003322900000000 ] - [ 0.0009604000000000, 0.0029791200000000, -0.0030928300000000 ] - [ -0.0001172400000000, 0.0000869400000000, -0.0003132100000000 ] - [ 0.0000348700000000, -0.0014416200000000, 0.0006291800000000 ] - [ -0.0010576700000000, -0.0145385000000000, 0.0016484600000000 ] - [ 0.0000186200000000, 0.0001928400000000, 0.0002603900000000 ] - [ -0.0103081400000000, -0.0765829600000000, -0.0025926400000000 ] - [ 0.0002198300000000, 0.0006140200000000, 0.0002586300000000 ] - [ 0.0003149800000000, -0.0009277900000000, -0.0000517500000000 ] - [ 0.0001659900000000, -0.0005070400000000, 0.0001955500000000 ] - [ -0.0002049300000000, 0.0000366200000000, -0.0000929700000000 ] - [ 0.0001900800000000, -0.0003964000000000, 0.0002179700000000 ] - [ -0.0000737500000000, -0.0000956700000000, -0.0002249800000000 ] - [ 0.0004259700000000, 0.0010561300000000, 0.0008534200000000 ] - [ -0.0000249000000000, -0.0008410600000000, -0.0000690700000000 ] - [ -0.0011779100000000, -0.0020077600000000, -0.0005200600000000 ] - [ -0.0012513900000000, 0.0030821700000000, 0.0009428400000000 ] - [ 0.0007341800000000, 0.0021117000000000, 0.0009041800000000 ] - [ 0.0010944100000000, -0.0026429500000000, -0.0001531600000000 ] - [ -0.0006719200000000, -0.0020041100000000, -0.0003623700000000 ] - [ -0.0009807000000000, -0.0008590700000000, -0.0042902700000000 ] - [ 0.0002978400000000, -0.0000884700000000, -0.0004893700000000 ] - [ 0.0016271300000000, -0.0008007700000000, 0.0023892800000000 ] - [ -0.0001639100000000, -0.0000250600000000, -0.0002060700000000 ] - [ -0.0001814800000000, -0.0009322100000000, 0.0000339500000000 ] - [ 0.0000985200000000, -0.0001493100000000, -0.0001892400000000 ] - [ 0.0032763400000000, 0.0015811900000000, -0.0046873400000000 ] - [ -0.0001883600000000, 0.0003821900000000, -0.0002067100000000 ] - [ 0.0001086100000000, 0.0004116300000000, 0.0000951700000000 ] - [ 0.0001962600000000, 0.0002273100000000, 0.0000942200000000 ] - [ 0.0002663200000000, -0.0001095700000000, 0.0000590500000000 ] - [ -0.0002791300000000, -0.0000091700000000, 0.0002964900000000 ] - [ -0.0039831500000000, -0.0033478800000000, 0.0011110800000000 ] - [ 0.0019775000000000, -0.0034330500000000, 0.0016692800000000 ] - [ 0.0013117800000000, 0.0016451500000000, 0.0006385800000000 ] - [ -0.0021244900000000, 0.0021566000000000, -0.0002764600000000 ] - [ 0.0005071700000000, 0.0028552500000000, -0.0017392200000000 ] - [ 0.0003848400000000, 0.0004728500000000, -0.0001147400000000 ] - [ 0.0002304700000000, -0.0019001600000000, 0.0001011500000000 ] - [ 0.0003346300000000, 0.0000075400000000, -0.0001062200000000 ] - [ 0.0000657500000000, 0.0073175700000000, 0.0027037500000000 ] - [ 0.0004871600000000, 0.0000896200000000, 0.0001188400000000 ] - [ 0.0007078400000000, -0.0034309100000000, -0.0007453000000000 ] - [ 0.0001857600000000, -0.0005754200000000, -0.0000578600000000 ] - [ -0.0004032100000000, -0.0004026800000000, -0.0002391500000000 ] - [ -0.0002351100000000, -0.0007414200000000, -0.0001819100000000 ] - [ -0.0000698000000000, -0.0000587200000000, -0.0000426700000000 ] - [ -0.0005674600000000, 0.0001968900000000, 0.0000449700000000 ] - [ 0.0000254200000000, 0.0005047700000000, -0.0000734700000000 ] - [ 0.0004666400000000, 0.0020360100000000, 0.0007238800000000 ] - [ -0.0002388900000000, -0.0012822900000000, 0.0001678900000000 ] - [ -0.0008784500000000, -0.0017491300000000, -0.0002115700000000 ] - [ 0.0007470500000000, -0.0002382600000000, -0.0012554400000000 ] - [ 0.0001275700000000, -0.0001291600000000, 0.0001357400000000 ] - [ 0.0002781200000000, -0.0008141500000000, 0.0014050800000000 ] - [ 0.0000044900000000, -0.0001321600000000, 0.0003347300000000 ] - [ -0.0013227200000000, -0.0028349600000000, 0.0028997900000000 ] - [ 0.0000754600000000, -0.0000925700000000, 0.0004541000000000 ] - [ 0.0151611200000000, -0.0053291100000000, -0.0301514100000000 ] - [ -0.0000068600000000, 0.0002890900000000, 0.0004081900000000 ] - [ -0.0001083700000000, 0.0001818200000000, -0.0005941200000000 ] - [ 0.0007839500000000, 0.0001029200000000, -0.0017655800000000 ] - [ 0.0002730700000000, -0.0000504400000000, -0.0005186600000000 ] - [ -0.0006275400000000, -0.0002004800000000, 0.0004875300000000 ] - [ 0.0000587100000000, -0.0015325100000000, 0.0009680200000000 ] - [ 0.0002899000000000, -0.0005282400000000, -0.0000691100000000 ] - [ 0.0001216500000000, 0.0007164600000000, -0.0000585900000000 ] - [ 0.0003297700000000, 0.0000511200000000, -0.0001336300000000 ] - [ -0.0000704700000000, -0.0006697700000000, -0.0009070200000000 ] - [ -0.0006270400000000, -0.0002602100000000, -0.0006285800000000 ] - [ -0.0018898100000000, 0.0006742600000000, 0.0005791700000000 ] - [ 0.0006116400000000, -0.0000807000000000, 0.0005274800000000 ] - [ 0.0002171700000000, 0.0017151800000000, 0.0005818600000000 ] - [ -0.0005708800000000, 0.0014721600000000, 0.0003673600000000 ] - [ -0.0006025600000000, -0.0013714900000000, 0.0002460300000000 ] - [ -0.0000111900000000, -0.0012365900000000, 0.0002402900000000 ] - [ -0.0061783300000000, -0.0125146300000000, -0.0010206200000000 ] - [ -0.0007087500000000, 0.0000420800000000, -0.0002420800000000 ] - [ -0.0070850000000000, 0.0062652000000000, -0.0005753800000000 ] - [ 0.0007920600000000, 0.0004038800000000, -0.0001850400000000 ] - [ -0.0005323200000000, -0.0003630200000000, 0.0000527600000000 ] - [ 0.0001071000000000, -0.0011837800000000, 0.0002900300000000 ] - [ -0.0004396200000000, 0.0002462800000000, -0.0001113300000000 ] - [ -0.0001208500000000, 0.0008842900000000, 0.0000272900000000 ] - [ 0.0005949900000000, 0.0003246400000000, -0.0022559000000000 ] - [ 0.0002621900000000, -0.0001105000000000, 0.0000104900000000 ] - [ 0.0015712600000000, 0.0022793300000000, 0.0046129900000000 ] - [ 0.0002474000000000, 0.0000002100000000, 0.0000924600000000 ] - [ 0.0001300900000000, 0.0039854800000000, 0.0018763100000000 ] - [ 0.0003423600000000, 0.0003256900000000, 0.0001649500000000 ] - [ 0.0000451000000000, -0.0118206900000000, -0.0024526200000000 ] - [ 0.0002903100000000, -0.0002122800000000, 0.0001369000000000 ] - [ 0.0006119900000000, -0.0005066900000000, -0.0000094300000000 ] - [ 0.0035077800000000, -0.0077100500000000, -0.0012744100000000 ] - [ -0.0008264700000000, 0.0004548000000000, -0.0001747200000000 ] - [ 0.0070551300000000, 0.0073904900000000, -0.0012369500000000 ]- atom: 33 displacement: [ -0.0004367987813524, 0.0000000000000000, 0.0099904557866300 ] forces: - [ 0.0002229500000000, -0.0001181900000000, -0.0010840400000000 ] - [ 0.0010673400000000, -0.0006885800000000, -0.0015608900000000 ] - [ 0.0002479300000000, -0.0000046800000000, -0.0008211000000000 ] - [ 0.0005248900000000, -0.0002382400000000, -0.0009721500000000 ] - [ 0.0086290800000000, 0.0064643400000000, -0.0108989600000000 ] - [ -0.0002122200000000, -0.0002124300000000, 0.0003784500000000 ] - [ -0.0003762500000000, -0.0013318000000000, 0.0003928900000000 ] - [ -0.0000816100000000, -0.0003620600000000, 0.0003296100000000 ] - [ -0.0000239600000000, -0.0035257100000000, -0.0011093300000000 ] - [ 0.0001061800000000, 0.0001143000000000, 0.0000360400000000 ] - [ -0.0006182900000000, 0.0013851800000000, 0.0004572700000000 ] - [ 0.0000598900000000, 0.0002238100000000, -0.0000124000000000 ] - [ 0.0001172700000000, 0.0001858500000000, -0.0000190800000000 ] - [ -0.0002790000000000, -0.0004963100000000, 0.0000715600000000 ] - [ 0.0006668600000000, 0.0015721600000000, 0.0013953600000000 ] - [ -0.0013076500000000, -0.0000524100000000, 0.0022175300000000 ] - [ -0.0000425600000000, 0.0005055400000000, 0.0001233500000000 ] - [ 0.0017427500000000, -0.0034741700000000, -0.0023188300000000 ] - [ 0.0000918700000000, 0.0006117000000000, -0.0000009500000000 ] - [ 0.0003655900000000, 0.0022637700000000, -0.0010784400000000 ] - [ -0.0010248800000000, -0.0001613700000000, 0.0009428900000000 ] - [ -0.0000955000000000, 0.0004708400000000, -0.0000084200000000 ] - [ -0.0165847300000000, 0.0940234700000000, 0.1060748500000000 ] - [ -0.0000884600000000, 0.0006218000000000, 0.0000897000000000 ] - [ 0.0006832300000000, -0.0003318100000000, -0.0019847000000000 ] - [ 0.0000449900000000, -0.0005029600000000, -0.0004204100000000 ] - [ 0.0012047700000000, -0.0003390400000000, -0.0026516800000000 ] - [ 0.0000448400000000, -0.0005397300000000, -0.0003959400000000 ] - [ 0.0005632100000000, -0.0003299000000000, -0.0000589100000000 ] - [ -0.0019696600000000, -0.0011465300000000, -0.0004040600000000 ] - [ 0.0001585600000000, -0.0005285600000000, 0.0001668800000000 ] - [ -0.0002549600000000, -0.0007528000000000, 0.0008438300000000 ] - [ 0.0396855100000000, -0.1263244100000000, -0.1293258300000000 ] - [ 0.0000325900000000, -0.0006125200000000, -0.0005393400000000 ] - [ 0.0006499800000000, 0.0000935900000000, -0.0008015300000000 ] - [ 0.0000472800000000, -0.0004583800000000, -0.0004582000000000 ] - [ -0.0000168900000000, -0.0005069100000000, 0.0002589700000000 ] - [ -0.0006802200000000, 0.0014697000000000, 0.0003502100000000 ] - [ 0.0000388300000000, -0.0007178800000000, 0.0002618400000000 ] - [ -0.0024173500000000, -0.0028323000000000, 0.0002729400000000 ] - [ -0.0005288500000000, 0.0003288000000000, 0.0004264500000000 ] - [ 0.0002842600000000, 0.0002786000000000, 0.0003425100000000 ] - [ -0.0006978300000000, 0.0004547000000000, 0.0004619500000000 ] - [ 0.0011198400000000, 0.0008522000000000, 0.0010618200000000 ] - [ 0.0002048600000000, 0.0001235400000000, 0.0011873900000000 ] - [ 0.0000487900000000, 0.0004519300000000, -0.0001414600000000 ] - [ -0.0001649400000000, 0.0002729800000000, 0.0011322400000000 ] - [ 0.0000569100000000, 0.0005083300000000, -0.0001702700000000 ] - [ 0.0000187300000000, 0.0004901800000000, -0.0003454600000000 ] - [ -0.0055893400000000, 0.0033987000000000, 0.0033644500000000 ] - [ -0.0000761900000000, 0.0004719200000000, -0.0003408400000000 ] - [ -0.0000735300000000, -0.0001419700000000, -0.0004042400000000 ] - [ 0.0008118200000000, 0.0019582500000000, -0.0025765000000000 ] - [ 0.0000328200000000, 0.0004670400000000, 0.0000909400000000 ] - [ 0.0008617100000000, 0.0015101600000000, -0.0198500700000000 ] - [ -0.0000196900000000, 0.0004034500000000, 0.0000515000000000 ] - [ -0.0000328300000000, -0.0002753400000000, 0.0013287900000000 ] - [ 0.0000163600000000, -0.0003675000000000, 0.0004335100000000 ] - [ 0.0001095100000000, -0.0001856000000000, 0.0022397400000000 ] - [ 0.0000054100000000, -0.0003587500000000, 0.0004519100000000 ] - [ -0.0005131500000000, -0.0005505300000000, -0.0000616800000000 ] - [ 0.0015567600000000, -0.0006226000000000, 0.0011825000000000 ] - [ -0.0004543900000000, -0.0003127800000000, -0.0001377900000000 ] - [ 0.0006145100000000, 0.0003090500000000, -0.0002810500000000 ] - [ 0.0009638800000000, -0.0008399300000000, -0.0017245100000000 ] - [ -0.0001698300000000, -0.0007044000000000, -0.0013815600000000 ] - [ -0.0001478300000000, 0.0001721600000000, -0.0002502700000000 ] - [ 0.0000137100000000, 0.0001414100000000, -0.0000490500000000 ] - [ 0.0012173800000000, 0.0017194800000000, -0.0006924600000000 ] - [ -0.0003455100000000, -0.0001019800000000, -0.0003014100000000 ] - [ 0.0009635000000000, -0.0015918700000000, -0.0009577400000000 ] - [ -0.0004074900000000, -0.0003269000000000, -0.0003271800000000 ] - [ -0.0000546000000000, 0.0000811900000000, 0.0002314400000000 ] - [ 0.0000548800000000, 0.0000152000000000, -0.0001885300000000 ] - [ -0.0036107900000000, 0.0007262500000000, 0.0065563700000000 ] - [ 0.0002116200000000, 0.0000203300000000, -0.0001443800000000 ] - [ -0.0001724600000000, -0.0001614600000000, 0.0013074700000000 ] - [ -0.0002482300000000, -0.0001738900000000, 0.0012864800000000 ] - [ -0.0001138100000000, 0.0001219600000000, 0.0010107000000000 ] - [ -0.0001247800000000, -0.0000214300000000, 0.0008590500000000 ] - [ -0.0001550400000000, 0.0004084300000000, -0.0002353100000000 ] - [ -0.0009873400000000, 0.0011438800000000, -0.0008016000000000 ] - [ -0.0014655500000000, -0.0000976200000000, -0.0009332500000000 ] - [ 0.0000892100000000, 0.0004841000000000, -0.0005922500000000 ] - [ 0.0026990100000000, 0.0022049100000000, 0.0037110000000000 ] - [ 0.0000087700000000, 0.0003205800000000, 0.0000695900000000 ] - [ 0.0005415300000000, -0.0004621300000000, 0.0001576000000000 ] - [ 0.0001478600000000, 0.0002566000000000, 0.0000614700000000 ] - [ -0.0038353200000000, -0.0050180600000000, 0.0030545400000000 ] - [ 0.0004315900000000, -0.0003015300000000, -0.0001599800000000 ] - [ 0.0001302000000000, 0.0013480200000000, -0.0001046400000000 ] - [ 0.0003781800000000, -0.0001173500000000, -0.0001501800000000 ] - [ -0.0002319600000000, -0.0003011400000000, 0.0004648200000000 ] - [ -0.0005937000000000, 0.0001388800000000, 0.0005060500000000 ] - [ -0.0002182500000000, -0.0003885500000000, 0.0006691200000000 ] - [ -0.0004578000000000, -0.0002710100000000, 0.0006306900000000 ] - [ -0.0003740100000000, -0.0001930300000000, -0.0009389500000000 ] - [ 0.0023847700000000, 0.0001382200000000, -0.0015149500000000 ] - [ -0.0001307800000000, 0.0000237100000000, -0.0005551900000000 ] - [ 0.0004061400000000, 0.0001782200000000, -0.0010248300000000 ] - [ -0.0008848700000000, 0.0007991600000000, 0.0019071700000000 ] - [ -0.0001716600000000, -0.0000291200000000, 0.0006315600000000 ] - [ 0.0008998100000000, -0.0019644000000000, 0.0031175400000000 ] - [ -0.0001567300000000, -0.0000585700000000, 0.0006109800000000 ] - [ 0.0006549600000000, 0.0003180800000000, -0.0007479500000000 ] - [ -0.0000238400000000, 0.0001668700000000, 0.0002061700000000 ] - [ -0.0198245800000000, 0.0304202600000000, 0.0289810100000000 ] - [ 0.0000240600000000, 0.0001181100000000, 0.0001519400000000 ] - [ 0.0001180700000000, 0.0002319600000000, 0.0001048100000000 ] - [ -0.0014524000000000, 0.0010744500000000, 0.0022699500000000 ] - [ -0.0000618200000000, 0.0001501500000000, -0.0000228600000000 ] - [ -0.0004302400000000, -0.0000779300000000, 0.0006376600000000 ] - [ -0.0000842200000000, 0.0003174900000000, -0.0037927600000000 ] - [ 0.0004386900000000, -0.0001560700000000, -0.0005793000000000 ] - [ 0.0001070100000000, -0.0002766000000000, -0.0012218500000000 ] - [ 0.0004483500000000, -0.0002729400000000, -0.0004327500000000 ] - [ 0.0012911000000000, 0.0008026000000000, -0.0003026300000000 ] - [ -0.0010200100000000, 0.0003208300000000, 0.0001346400000000 ] - [ 0.0015960000000000, -0.0015243800000000, -0.0004337200000000 ] - [ -0.0009474200000000, -0.0006805800000000, 0.0000264500000000 ] - [ -0.0009733600000000, -0.0001470600000000, 0.0003303100000000 ] - [ 0.0004030100000000, -0.0000979200000000, 0.0001493900000000 ] - [ -0.0026169200000000, 0.0009143500000000, -0.0000562100000000 ] - [ 0.0016186300000000, 0.0008129400000000, 0.0000547500000000 ] - [ -0.0029681900000000, -0.0015206400000000, 0.0064987900000000 ] - [ 0.0006684200000000, 0.0003228200000000, 0.0002546500000000 ] - [ 0.0010764800000000, -0.0015079100000000, 0.0026875100000000 ] - [ 0.0003936600000000, 0.0001852300000000, 0.0002061000000000 ] - [ -0.0001219900000000, 0.0000169600000000, -0.0006715800000000 ] - [ -0.0005405700000000, 0.0000985900000000, -0.0023532000000000 ] - [ -0.0002396700000000, -0.0001056700000000, -0.0004718400000000 ] - [ -0.0005295600000000, -0.0001585000000000, -0.0009311900000000 ] - [ -0.0004952600000000, 0.0023848200000000, -0.0021709000000000 ] - [ 0.0005901800000000, 0.0000257700000000, -0.0000120800000000 ] - [ -0.0018460400000000, -0.0033566100000000, -0.0033521600000000 ] - [ 0.0005959000000000, -0.0001257900000000, -0.0000238500000000 ] - [ 0.0001883800000000, -0.0011846200000000, 0.0003413900000000 ] - [ 0.0004614600000000, -0.0000105100000000, 0.0002265700000000 ] - [ -0.0001359700000000, 0.0026790000000000, 0.0045392500000000 ] - [ 0.0004778600000000, 0.0001006300000000, 0.0002612200000000 ] - [ -0.0001996400000000, 0.0001190400000000, 0.0004103000000000 ] - [ -0.0004994900000000, -0.0000269000000000, 0.0064430800000000 ] - [ 0.0000311300000000, -0.0000955200000000, 0.0004005100000000 ] - [ -0.0011696300000000, -0.0004542300000000, 0.0012596100000000 ]- atom: 33 displacement: [ 0.0004367987813524, 0.0000000000000000, -0.0099904557866300 ] forces: - [ 0.0000107100000000, -0.0003630800000000, 0.0005730900000000 ] - [ -0.0008258200000000, 0.0002053400000000, 0.0010443400000000 ] - [ -0.0000139200000000, -0.0004702400000000, 0.0003102100000000 ] - [ -0.0002858900000000, -0.0002382200000000, 0.0004577300000000 ] - [ -0.0088707200000000, -0.0069644200000000, 0.0114263300000000 ] - [ -0.0000229500000000, -0.0002666000000000, 0.0001321000000000 ] - [ 0.0001474200000000, 0.0008540000000000, 0.0001089400000000 ] - [ -0.0001530900000000, -0.0001176500000000, 0.0001807500000000 ] - [ -0.0002187400000000, 0.0039637000000000, 0.0016180700000000 ] - [ -0.0003420100000000, 0.0003629300000000, 0.0004764300000000 ] - [ 0.0003679900000000, -0.0008900400000000, 0.0000705700000000 ] - [ -0.0002959500000000, 0.0002553700000000, 0.0005238800000000 ] - [ 0.0001196400000000, 0.0003074000000000, -0.0004935600000000 ] - [ 0.0005122600000000, 0.0009741600000000, -0.0005828600000000 ] - [ -0.0004285000000000, -0.0010999400000000, -0.0019208700000000 ] - [ 0.0015342900000000, 0.0005380500000000, -0.0027244900000000 ] - [ 0.0002588700000000, 0.0005359800000000, 0.0001140700000000 ] - [ -0.0015144900000000, 0.0044845800000000, 0.0025411600000000 ] - [ 0.0001257400000000, 0.0004317400000000, 0.0002363100000000 ] - [ -0.0001467900000000, -0.0012027800000000, 0.0013086700000000 ] - [ 0.0008100700000000, 0.0012019500000000, -0.0011940100000000 ] - [ -0.0001237500000000, 0.0005719900000000, -0.0002246200000000 ] - [ 0.0167876500000000, -0.0965738200000000, -0.1066023100000000 ] - [ -0.0001312800000000, 0.0004204000000000, -0.0003223900000000 ] - [ -0.0008991800000000, -0.0007161000000000, 0.0017458100000000 ] - [ -0.0002642300000000, -0.0005401500000000, 0.0001876000000000 ] - [ -0.0014143900000000, -0.0006951500000000, 0.0024011500000000 ] - [ -0.0002642100000000, -0.0005025700000000, 0.0001630700000000 ] - [ -0.0003419900000000, -0.0007136500000000, 0.0002874500000000 ] - [ 0.0022046300000000, 0.0001086000000000, 0.0006285700000000 ] - [ 0.0000643700000000, -0.0005138100000000, 0.0000604100000000 ] - [ 0.0004761300000000, -0.0002924300000000, -0.0006176200000000 ] - [ -0.0400391200000000, 0.1294479000000000, 0.1285797600000000 ] - [ 0.0003000000000000, -0.0004116200000000, -0.0001450400000000 ] - [ -0.0003227300000000, -0.0011022600000000, 0.0001170400000000 ] - [ 0.0002860800000000, -0.0005664400000000, -0.0002262200000000 ] - [ -0.0003153200000000, -0.0005170600000000, 0.0004225600000000 ] - [ 0.0003444900000000, -0.0024785400000000, 0.0003246700000000 ] - [ -0.0003696800000000, -0.0003077300000000, 0.0004206300000000 ] - [ 0.0020601800000000, 0.0017843100000000, 0.0003982500000000 ] - [ 0.0001952200000000, 0.0006968100000000, 0.0002608700000000 ] - [ -0.0006184300000000, 0.0007486500000000, 0.0003460500000000 ] - [ 0.0003649200000000, 0.0005707600000000, 0.0002249200000000 ] - [ -0.0014556100000000, 0.0001708100000000, -0.0003703300000000 ] - [ 0.0001267200000000, 0.0009041600000000, -0.0018666100000000 ] - [ 0.0002844100000000, 0.0005730800000000, -0.0005421500000000 ] - [ 0.0004942900000000, 0.0007427000000000, -0.0018093000000000 ] - [ 0.0002761900000000, 0.0005161500000000, -0.0005133100000000 ] - [ -0.0002864400000000, 0.0003616200000000, -0.0001381300000000 ] - [ 0.0052621100000000, -0.0025186700000000, -0.0038199200000000 ] - [ -0.0001922500000000, 0.0003789500000000, -0.0001415200000000 ] - [ -0.0001932600000000, 0.0009873000000000, -0.0000862300000000 ] - [ -0.0005417700000000, -0.0011216100000000, 0.0030376800000000 ] - [ 0.0002348700000000, 0.0003841400000000, 0.0003879900000000 ] - [ -0.0005552200000000, -0.0001892300000000, 0.0203772300000000 ] - [ 0.0002886600000000, 0.0004480600000000, 0.0004274100000000 ] - [ 0.0002998600000000, -0.0005724800000000, -0.0008442400000000 ] - [ 0.0002531700000000, -0.0004842000000000, 0.0000477000000000 ] - [ 0.0001567800000000, -0.0006671400000000, -0.0017489600000000 ] - [ 0.0002641300000000, -0.0004934400000000, 0.0000293300000000 ] - [ 0.0002438600000000, -0.0003015500000000, -0.0004149600000000 ] - [ -0.0018338200000000, -0.0002303600000000, -0.0016611100000000 ] - [ 0.0001846600000000, -0.0005406400000000, -0.0003386700000000 ] - [ -0.0008844100000000, -0.0011611000000000, -0.0001910200000000 ] - [ -0.0009905700000000, 0.0006807800000000, 0.0022529600000000 ] - [ 0.0001640500000000, 0.0005330100000000, 0.0019072300000000 ] - [ 0.0001337300000000, -0.0003407000000000, 0.0007776700000000 ] - [ -0.0000171100000000, -0.0003067300000000, 0.0005798300000000 ] - [ -0.0011955900000000, -0.0018710100000000, 0.0001406700000000 ] - [ 0.0003535200000000, -0.0000664600000000, -0.0002333100000000 ] - [ -0.0009455700000000, 0.0014105800000000, 0.0004059500000000 ] - [ 0.0004146700000000, 0.0001563800000000, -0.0002078600000000 ] - [ 0.0000617800000000, 0.0000899600000000, -0.0007563600000000 ] - [ -0.0000463100000000, 0.0001545500000000, -0.0003418100000000 ] - [ 0.0036226100000000, -0.0005570800000000, -0.0071004200000000 ] - [ -0.0002025100000000, 0.0001485700000000, -0.0003859300000000 ] - [ 0.0001676400000000, 0.0003333800000000, -0.0007718700000000 ] - [ 0.0002361100000000, 0.0003429800000000, -0.0007490800000000 ] - [ 0.0001070600000000, 0.0000454500000000, -0.0004751200000000 ] - [ 0.0001144800000000, 0.0001891200000000, -0.0003224000000000 ] - [ -0.0005532600000000, 0.0000473300000000, 0.0003478900000000 ] - [ 0.0003037800000000, -0.0006723700000000, 0.0009037000000000 ] - [ 0.0007784300000000, 0.0005684400000000, 0.0010395200000000 ] - [ -0.0007661700000000, -0.0000185000000000, 0.0006945400000000 ] - [ -0.0019874800000000, -0.0017113800000000, -0.0037824500000000 ] - [ 0.0006753800000000, 0.0001506100000000, -0.0001705400000000 ] - [ 0.0001465600000000, 0.0009223400000000, -0.0002626600000000 ] - [ 0.0005375900000000, 0.0002130800000000, -0.0001622900000000 ] - [ 0.0045552800000000, 0.0045607700000000, -0.0031731000000000 ] - [ 0.0002553200000000, -0.0001686600000000, 0.0000607600000000 ] - [ 0.0005540700000000, -0.0018226200000000, 0.0000122600000000 ] - [ 0.0003088700000000, -0.0003526800000000, 0.0000509400000000 ] - [ -0.0004522600000000, -0.0001673900000000, -0.0003641000000000 ] - [ -0.0000944000000000, -0.0006057500000000, -0.0004044600000000 ] - [ -0.0004634800000000, -0.0000843200000000, -0.0005675200000000 ] - [ -0.0002311100000000, -0.0002012400000000, -0.0005283400000000 ] - [ 0.0003144300000000, -0.0000403700000000, 0.0002790900000000 ] - [ -0.0024436800000000, -0.0003719300000000, 0.0008590800000000 ] - [ 0.0000698400000000, -0.0002620700000000, -0.0001056300000000 ] - [ -0.0004614200000000, -0.0004079500000000, 0.0003637100000000 ] - [ 0.0009381500000000, -0.0010226300000000, -0.0012362200000000 ] - [ 0.0002286600000000, -0.0002028300000000, 0.0000357900000000 ] - [ -0.0008218300000000, 0.0017023800000000, -0.0024267300000000 ] - [ 0.0002135000000000, -0.0001743500000000, 0.0000563400000000 ] - [ -0.0006013700000000, -0.0000878600000000, 0.0014281400000000 ] - [ 0.0000808800000000, 0.0000652100000000, 0.0004619700000000 ] - [ 0.0202431800000000, -0.0307408200000000, -0.0286483100000000 ] - [ 0.0000334000000000, 0.0001139400000000, 0.0005160700000000 ] - [ -0.0001709100000000, 0.0000013200000000, -0.0007736900000000 ] - [ 0.0013875100000000, -0.0008343600000000, -0.0029243800000000 ] - [ 0.0000070300000000, 0.0000809000000000, -0.0006461200000000 ] - [ 0.0003721000000000, 0.0003081200000000, -0.0013026200000000 ] - [ 0.0006234800000000, -0.0007869600000000, 0.0034765800000000 ] - [ 0.0001092500000000, -0.0003124200000000, 0.0002741300000000 ] - [ 0.0004359300000000, -0.0001905400000000, 0.0009137100000000 ] - [ 0.0000988300000000, -0.0001961800000000, 0.0001281900000000 ] - [ -0.0018398700000000, -0.0012764500000000, 0.0005975300000000 ] - [ 0.0004741800000000, -0.0007907300000000, 0.0001637600000000 ] - [ -0.0021466400000000, 0.0010597400000000, 0.0007332600000000 ] - [ 0.0003996400000000, 0.0002115700000000, 0.0002704900000000 ] - [ 0.0004235000000000, 0.0006144700000000, -0.0000189600000000 ] - [ -0.0009468800000000, 0.0005643300000000, 0.0001591000000000 ] - [ 0.0020526200000000, -0.0004422700000000, 0.0003676400000000 ] - [ -0.0021521700000000, -0.0003412100000000, 0.0002538400000000 ] - [ 0.0034369700000000, 0.0019159100000000, -0.0067598300000000 ] - [ -0.0001237000000000, 0.0001456100000000, -0.0005561700000000 ] - [ -0.0004884600000000, 0.0019645400000000, -0.0029924600000000 ] - [ 0.0001487000000000, 0.0002838300000000, -0.0005073700000000 ] - [ -0.0005337700000000, -0.0001234700000000, 0.0004706300000000 ] - [ -0.0001052800000000, -0.0002057800000000, 0.0021454100000000 ] - [ -0.0004142700000000, -0.0000005700000000, 0.0002704500000000 ] - [ -0.0001195500000000, 0.0000524700000000, 0.0007280600000000 ] - [ 0.0011480900000000, -0.0025004900000000, 0.0023647800000000 ] - [ 0.0000620400000000, -0.0001326400000000, 0.0002094800000000 ] - [ 0.0025058000000000, 0.0032576100000000, 0.0035354300000000 ] - [ 0.0000558300000000, 0.0000196400000000, 0.0002215300000000 ] - [ 0.0004654400000000, 0.0012800900000000, -0.0001271900000000 ] - [ 0.0001909800000000, 0.0001167200000000, -0.0000247000000000 ] - [ 0.0007301800000000, -0.0028559800000000, -0.0037745200000000 ] - [ 0.0001747900000000, 0.0000054900000000, -0.0000594200000000 ] - [ -0.0004453600000000, -0.0000139700000000, -0.0006056800000000 ] - [ -0.0001216600000000, 0.0001101600000000, -0.0066298800000000 ] - [ -0.0006803200000000, 0.0002031300000000, -0.0005968500000000 ] - [ 0.0004726700000000, 0.0005303200000000, -0.0014401500000000 ]- atom: 49 displacement: [ 0.0099996587985401, 0.0000000000000000, -0.0000826069777877 ] forces: - [ -0.0079411000000000, 0.0047484100000000, 0.0048174300000000 ] - [ -0.0004908500000000, -0.0003882000000000, -0.0001865400000000 ] - [ 0.0008265300000000, -0.0022758000000000, -0.0003958500000000 ] - [ -0.0003589000000000, 0.0003074900000000, -0.0002390400000000 ] - [ -0.0004015900000000, -0.0003749900000000, 0.0002647000000000 ] - [ -0.0007118400000000, -0.0007861400000000, 0.0011277900000000 ] - [ -0.0003179500000000, -0.0001635700000000, 0.0005404700000000 ] - [ -0.0001082400000000, -0.0000852400000000, 0.0003593300000000 ] - [ -0.0013954500000000, 0.0018587400000000, 0.0007056600000000 ] - [ -0.0021159400000000, -0.0045724700000000, 0.0002093000000000 ] - [ -0.0009807000000000, -0.0006849200000000, 0.0022204200000000 ] - [ 0.0000512700000000, 0.0027432500000000, -0.0008482100000000 ] - [ 0.0004954500000000, 0.0004544000000000, -0.0007612600000000 ] - [ -0.0003317500000000, 0.0000564500000000, 0.0002293900000000 ] - [ 0.0029973700000000, -0.0018135300000000, -0.0036254000000000 ] - [ -0.0006195200000000, 0.0003683900000000, 0.0005738900000000 ] - [ 0.0774325200000000, -0.0597367400000000, -0.0289508100000000 ] - [ -0.0006444500000000, 0.0005534000000000, 0.0006893800000000 ] - [ 0.0008456400000000, 0.0015860900000000, -0.0010069200000000 ] - [ -0.0004834400000000, 0.0007442400000000, 0.0004767300000000 ] - [ -0.0002727600000000, 0.0005725900000000, -0.0000554700000000 ] - [ -0.0001765900000000, 0.0002901600000000, 0.0000520800000000 ] - [ -0.0005093000000000, 0.0002982000000000, -0.0000539600000000 ] - [ -0.0008678400000000, 0.0028710900000000, 0.0022941500000000 ] - [ -0.0010467200000000, -0.0003286900000000, 0.0008055700000000 ] - [ 0.0017244700000000, -0.0021693400000000, -0.0027229500000000 ] - [ -0.0007528100000000, -0.0006098000000000, 0.0006585600000000 ] - [ 0.0010991800000000, 0.0004259100000000, -0.0021145500000000 ] - [ 0.0008759400000000, -0.0007283900000000, -0.0003390500000000 ] - [ -0.0003925900000000, -0.0005773700000000, 0.0005671100000000 ] - [ 0.0004232800000000, -0.0002131000000000, -0.0000345300000000 ] - [ -0.0002534100000000, -0.0005410200000000, 0.0004692600000000 ] - [ 0.0009630200000000, -0.0004970700000000, -0.0001544400000000 ] - [ 0.0013810300000000, -0.0016127300000000, -0.0057701700000000 ] - [ 0.0006640400000000, -0.0005310800000000, -0.0002619900000000 ] - [ -0.0002406400000000, -0.0006825400000000, -0.0002966100000000 ] - [ -0.0198543000000000, -0.0110214200000000, 0.0003649200000000 ] - [ 0.0007121100000000, -0.0004261000000000, 0.0002275600000000 ] - [ -0.0056249900000000, -0.0016988900000000, 0.0008096100000000 ] - [ 0.0009818900000000, -0.0006300700000000, 0.0002928000000000 ] - [ -0.0008916700000000, 0.0003287200000000, 0.0001348700000000 ] - [ 0.0003761300000000, 0.0004806800000000, 0.0002455500000000 ] - [ -0.0010176800000000, 0.0008511100000000, 0.0002630700000000 ] - [ 0.0004190200000000, 0.0004564700000000, 0.0002361600000000 ] - [ 0.0011052500000000, 0.0005740000000000, -0.0006814800000000 ] - [ -0.0008427100000000, 0.0010644500000000, 0.0013014700000000 ] - [ 0.0008373200000000, 0.0006183900000000, -0.0006329900000000 ] - [ -0.0007468900000000, -0.0005307600000000, 0.0003712200000000 ] - [ -0.1103543900000000, 0.1008042200000000, 0.0657739500000000 ] - [ 0.0010532500000000, 0.0002642100000000, -0.0003608000000000 ] - [ -0.0009953100000000, -0.0004345100000000, 0.0001815800000000 ] - [ 0.0007490100000000, 0.0001572000000000, -0.0003608600000000 ] - [ 0.0008412700000000, 0.0004230300000000, 0.0003592200000000 ] - [ -0.0007976600000000, 0.0010890300000000, -0.0001088800000000 ] - [ 0.0008405400000000, 0.0006703200000000, 0.0003789800000000 ] - [ -0.0008100100000000, -0.0016666200000000, -0.0025374400000000 ] - [ 0.0009737500000000, -0.0008134300000000, -0.0001301700000000 ] - [ -0.0015536900000000, 0.0006686500000000, 0.0007822100000000 ] - [ 0.0010013000000000, -0.0005596100000000, -0.0000695400000000 ] - [ -0.0009548600000000, -0.0004670300000000, 0.0016058400000000 ] - [ -0.0012070900000000, -0.0005552700000000, -0.0004290900000000 ] - [ 0.0005199700000000, -0.0002352800000000, -0.0003621800000000 ] - [ -0.0008798500000000, -0.0007705500000000, -0.0003262400000000 ] - [ 0.0004323300000000, -0.0003010100000000, -0.0003399800000000 ] - [ 0.0007087300000000, 0.0013879500000000, 0.0066932300000000 ] - [ 0.0010308300000000, -0.0002363100000000, -0.0003231000000000 ] - [ -0.0004330800000000, -0.0001987800000000, 0.0007893300000000 ] - [ 0.0005611200000000, -0.0002382500000000, -0.0000364200000000 ] - [ 0.0010380400000000, -0.0010691400000000, 0.0001390500000000 ] - [ 0.0009704700000000, 0.0018793800000000, -0.0011035800000000 ] - [ 0.0027861600000000, 0.0031445700000000, -0.0001240500000000 ] - [ 0.0026572300000000, -0.0027004900000000, 0.0002802200000000 ] - [ 0.0001999100000000, -0.0000371300000000, -0.0006683200000000 ] - [ 0.0000787400000000, -0.0000439300000000, -0.0002526500000000 ] - [ 0.0001236500000000, 0.0003225600000000, -0.0005758300000000 ] - [ 0.0004193300000000, -0.0001717400000000, -0.0004056100000000 ] - [ 0.0027110500000000, 0.0008506600000000, -0.0035491300000000 ] - [ 0.0006694600000000, 0.0002920700000000, 0.0004792700000000 ] - [ -0.0001911000000000, 0.0006701400000000, -0.0001435200000000 ] - [ 0.0003940000000000, -0.0001040700000000, 0.0004084300000000 ] - [ -0.0010581200000000, 0.0002617900000000, 0.0000912600000000 ] - [ 0.0002577200000000, 0.0004124300000000, -0.0001135900000000 ] - [ -0.0013466700000000, 0.0019034100000000, 0.0007106000000000 ] - [ 0.0002676500000000, 0.0000812200000000, -0.0001440900000000 ] - [ 0.0027073100000000, -0.0008568100000000, -0.0003037100000000 ] - [ 0.0049983000000000, 0.0023570200000000, 0.0016447000000000 ] - [ 0.0005830400000000, 0.0010340900000000, -0.0004778200000000 ] - [ 0.0001073700000000, -0.0014285000000000, 0.0001450600000000 ] - [ 0.0006338400000000, -0.0002444300000000, 0.0001104100000000 ] - [ 0.0005718400000000, 0.0002384500000000, -0.0005587600000000 ] - [ 0.0004693800000000, -0.0002633600000000, 0.0000183100000000 ] - [ 0.0003895800000000, -0.0004452800000000, -0.0003054000000000 ] - [ 0.0012643200000000, -0.0046521800000000, -0.0010268900000000 ] - [ 0.0002237300000000, -0.0000748800000000, 0.0002594300000000 ] - [ -0.0011164800000000, 0.0016900500000000, -0.0018033700000000 ] - [ 0.0004512700000000, -0.0005842000000000, 0.0004420000000000 ] - [ -0.0017958800000000, -0.0004933800000000, 0.0010722700000000 ] - [ 0.0006786700000000, 0.0000583200000000, -0.0009464900000000 ] - [ -0.0005627400000000, -0.0003440100000000, -0.0000815900000000 ] - [ 0.0004843200000000, 0.0000339600000000, -0.0007582000000000 ] - [ 0.0011652900000000, -0.0007782200000000, -0.0006103600000000 ] - [ -0.0003679100000000, 0.0017068100000000, 0.0023458300000000 ] - [ 0.0009589100000000, -0.0001510500000000, -0.0005953200000000 ] - [ 0.0001192900000000, -0.0016912400000000, 0.0026860200000000 ] - [ 0.0002755700000000, 0.0001077300000000, 0.0001876800000000 ] - [ -0.0000092900000000, 0.0001973500000000, 0.0001316200000000 ] - [ 0.0004385400000000, 0.0002433200000000, 0.0002854400000000 ] - [ 0.0011068100000000, -0.0003473300000000, -0.0017183900000000 ] - [ 0.0090137300000000, -0.0207287200000000, -0.0360731700000000 ] - [ 0.0008772800000000, 0.0001519100000000, -0.0005804200000000 ] - [ -0.0010907900000000, 0.0002662900000000, 0.0006264300000000 ] - [ 0.0006218700000000, -0.0000898900000000, -0.0005862400000000 ] - [ -0.0012122700000000, -0.0009947400000000, 0.0009990000000000 ] - [ -0.0006557600000000, 0.0001028000000000, -0.0021644200000000 ] - [ -0.0005758300000000, 0.0002939100000000, 0.0003527400000000 ] - [ 0.0001367100000000, -0.0002800300000000, -0.0007475600000000 ] - [ 0.0003005400000000, 0.0001498500000000, 0.0012271700000000 ] - [ -0.0009814000000000, -0.0004116000000000, 0.0001227100000000 ] - [ 0.0002921200000000, -0.0004079100000000, 0.0002977000000000 ] - [ -0.0010076400000000, -0.0000556800000000, 0.0001698500000000 ] - [ -0.0006194500000000, 0.0022716900000000, -0.0008118000000000 ] - [ -0.0015870300000000, 0.0000197200000000, 0.0001417100000000 ] - [ 0.0135982000000000, 0.0025691500000000, -0.0013864300000000 ] - [ -0.0031350200000000, 0.0004620600000000, 0.0001752900000000 ] - [ -0.0008495800000000, 0.0010462700000000, -0.0012939800000000 ] - [ -0.0012492300000000, -0.0009375300000000, 0.0012190300000000 ] - [ -0.0000587000000000, -0.0003594500000000, -0.0009195800000000 ] - [ -0.0004824600000000, 0.0012811600000000, 0.0007909200000000 ] - [ 0.0041568900000000, -0.0018195100000000, 0.0007476700000000 ] - [ -0.0016986400000000, -0.0000377300000000, -0.0002743600000000 ] - [ 0.0016487500000000, 0.0007453300000000, 0.0005996400000000 ] - [ -0.0014678400000000, 0.0000174900000000, -0.0002340000000000 ] - [ -0.0006010300000000, 0.0000080900000000, 0.0002355500000000 ] - [ 0.0014496500000000, -0.0003205500000000, 0.0002252000000000 ] - [ -0.0004798400000000, -0.0001571300000000, 0.0001365400000000 ] - [ 0.0013441900000000, 0.0003218400000000, 0.0003566400000000 ] - [ -0.0011343100000000, 0.0003107700000000, -0.0001983900000000 ] - [ 0.0030400900000000, -0.0010957600000000, 0.0000400800000000 ] - [ -0.0019463500000000, -0.0000723100000000, -0.0002420700000000 ] - [ 0.0189961600000000, -0.0102991900000000, -0.0016313400000000 ] - [ 0.0083056100000000, -0.0014698300000000, 0.0002986300000000 ] - [ -0.0016583500000000, -0.0000300500000000, -0.0001497900000000 ] - [ 0.0019516100000000, 0.0009341500000000, 0.0001307400000000 ] - [ -0.0015394700000000, 0.0000505100000000, -0.0001264400000000 ]- atom: 49 displacement: [ -0.0099996587985401, 0.0000000000000000, 0.0000826069777877 ] forces: - [ 0.0081602300000000, -0.0051836200000000, -0.0052354200000000 ] - [ 0.0007256800000000, -0.0000935700000000, -0.0003271600000000 ] - [ -0.0005925600000000, 0.0018044900000000, -0.0001144500000000 ] - [ 0.0005942000000000, -0.0007820500000000, -0.0002747000000000 ] - [ 0.0001643300000000, -0.0001072900000000, 0.0002510100000000 ] - [ 0.0004747100000000, 0.0003025100000000, -0.0006120100000000 ] - [ 0.0000793900000000, -0.0003121900000000, -0.0000262000000000 ] - [ -0.0001232100000000, -0.0003892500000000, 0.0001497000000000 ] - [ 0.0011532100000000, -0.0013981600000000, -0.0001900000000000 ] - [ 0.0018619400000000, 0.0049990200000000, 0.0002921100000000 ] - [ 0.0007488200000000, 0.0011872500000000, -0.0017287000000000 ] - [ -0.0002868300000000, -0.0022363100000000, 0.0013471100000000 ] - [ -0.0002566600000000, 0.0000373600000000, 0.0002414300000000 ] - [ 0.0005656500000000, 0.0004222400000000, -0.0007390000000000 ] - [ -0.0027744100000000, 0.0022955200000000, 0.0031289700000000 ] - [ 0.0008514400000000, 0.0001117300000000, -0.0010811000000000 ] - [ -0.0765594800000000, 0.0617021500000000, 0.0296452500000000 ] - [ 0.0008615100000000, 0.0004865000000000, -0.0004550500000000 ] - [ -0.0006326900000000, -0.0005196400000000, 0.0012527500000000 ] - [ 0.0007009500000000, 0.0003020600000000, -0.0002442700000000 ] - [ 0.0000498200000000, 0.0004707900000000, -0.0001741800000000 ] - [ -0.0000373100000000, 0.0007628300000000, -0.0002925600000000 ] - [ 0.0002884300000000, 0.0007435900000000, -0.0001759800000000 ] - [ 0.0006412900000000, -0.0018317900000000, -0.0025159800000000 ] - [ 0.0008236600000000, -0.0007147300000000, -0.0010365100000000 ] - [ -0.0019290400000000, 0.0011198700000000, 0.0024757000000000 ] - [ 0.0005339600000000, -0.0004305700000000, -0.0008949100000000 ] - [ -0.0013058900000000, -0.0014654700000000, 0.0018619200000000 ] - [ -0.0006558600000000, -0.0003194100000000, 0.0005751800000000 ] - [ 0.0006102400000000, -0.0004657400000000, -0.0003318300000000 ] - [ -0.0002010400000000, -0.0008245600000000, 0.0002634000000000 ] - [ 0.0004717400000000, -0.0005009000000000, -0.0002351300000000 ] - [ -0.0006281900000000, -0.0005260100000000, -0.0005312700000000 ] - [ -0.0010543600000000, 0.0005918300000000, 0.0050442300000000 ] - [ -0.0003281100000000, -0.0004960800000000, -0.0004232600000000 ] - [ 0.0005686400000000, -0.0003522400000000, -0.0003836600000000 ] - [ 0.0196665600000000, 0.0095733200000000, 0.0003418600000000 ] - [ -0.0010420700000000, -0.0005964200000000, 0.0004561200000000 ] - [ 0.0052945700000000, 0.0006877000000000, -0.0001144000000000 ] - [ -0.0013112500000000, -0.0003975500000000, 0.0003921100000000 ] - [ 0.0005551000000000, 0.0006940000000000, 0.0005490500000000 ] - [ -0.0007073500000000, 0.0005433400000000, 0.0004380200000000 ] - [ 0.0006819700000000, 0.0001780100000000, 0.0004176000000000 ] - [ -0.0007505900000000, 0.0005678000000000, 0.0004473100000000 ] - [ -0.0007684000000000, 0.0004521800000000, -0.0000027400000000 ] - [ 0.0011642800000000, -0.0000383200000000, -0.0019808300000000 ] - [ -0.0005011800000000, 0.0004033200000000, -0.0000501700000000 ] - [ 0.0010721200000000, 0.0015485500000000, -0.0010502200000000 ] - [ 0.1091121300000000, -0.0993121000000000, -0.0669115100000000 ] - [ -0.0013196200000000, 0.0005897000000000, -0.0001197200000000 ] - [ 0.0007205400000000, 0.0012594300000000, -0.0006646200000000 ] - [ -0.0010151000000000, 0.0006919900000000, -0.0001198300000000 ] - [ -0.0005690100000000, 0.0004299000000000, 0.0001197200000000 ] - [ 0.0010439900000000, -0.0002413900000000, 0.0005956200000000 ] - [ -0.0005701100000000, 0.0001821400000000, 0.0000980100000000 ] - [ 0.0010715500000000, 0.0025105900000000, 0.0029902200000000 ] - [ -0.0007007500000000, -0.0000386600000000, 0.0006101500000000 ] - [ 0.0018107200000000, -0.0015157100000000, -0.0003024900000000 ] - [ -0.0007298300000000, -0.0002919700000000, 0.0005511900000000 ] - [ 0.0012118500000000, -0.0003794000000000, -0.0011193600000000 ] - [ 0.0009347800000000, -0.0002931900000000, -0.0000546600000000 ] - [ -0.0007867900000000, -0.0006149400000000, -0.0001178700000000 ] - [ 0.0006069800000000, -0.0000866900000000, -0.0001528400000000 ] - [ -0.0006996700000000, -0.0005507500000000, -0.0001397300000000 ] - [ -0.0007240700000000, -0.0015620700000000, -0.0062100800000000 ] - [ -0.0010359200000000, 0.0000676900000000, 0.0008507400000000 ] - [ 0.0004290700000000, 0.0000184100000000, -0.0002473100000000 ] - [ -0.0005693400000000, 0.0000674000000000, 0.0005669500000000 ] - [ -0.0010155300000000, 0.0009160300000000, -0.0006725600000000 ] - [ -0.0009591200000000, -0.0020294900000000, 0.0005643800000000 ] - [ -0.0028094500000000, -0.0033550400000000, -0.0004110200000000 ] - [ -0.0026249900000000, 0.0025052800000000, -0.0008070500000000 ] - [ -0.0001868500000000, 0.0002037500000000, 0.0001334600000000 ] - [ -0.0000730700000000, 0.0002125800000000, -0.0002785200000000 ] - [ -0.0001127500000000, -0.0001523200000000, 0.0000417700000000 ] - [ -0.0004105300000000, 0.0003403800000000, -0.0001269400000000 ] - [ -0.0027116400000000, -0.0006768400000000, 0.0040495900000000 ] - [ -0.0006771700000000, -0.0001216000000000, 0.0000563700000000 ] - [ 0.0001828400000000, -0.0005046300000000, 0.0006746500000000 ] - [ -0.0004031600000000, 0.0002705600000000, 0.0001264100000000 ] - [ 0.0003844400000000, 0.0001993200000000, 0.0000190100000000 ] - [ -0.0009434000000000, 0.0000581700000000, 0.0002125500000000 ] - [ 0.0006628100000000, -0.0014402300000000, -0.0006150400000000 ] - [ -0.0009525200000000, 0.0003873900000000, 0.0002426500000000 ] - [ -0.0020271400000000, 0.0013451900000000, 0.0002095300000000 ] - [ -0.0042665600000000, -0.0018677300000000, -0.0017250800000000 ] - [ 0.0001165500000000, -0.0005865400000000, 0.0003809900000000 ] - [ 0.0005706200000000, 0.0018790400000000, -0.0002459100000000 ] - [ 0.0000553900000000, -0.0002217100000000, -0.0002123300000000 ] - [ 0.0001133700000000, -0.0007041300000000, 0.0004557100000000 ] - [ 0.0002190800000000, -0.0002093400000000, -0.0001196100000000 ] - [ 0.0002947500000000, -0.0000286400000000, 0.0002038200000000 ] - [ -0.0019413100000000, 0.0041623100000000, 0.0011017900000000 ] - [ -0.0009091400000000, -0.0003931600000000, -0.0001573200000000 ] - [ 0.0004419600000000, -0.0021593500000000, 0.0019173700000000 ] - [ -0.0011342400000000, 0.0001117300000000, -0.0003376600000000 ] - [ 0.0017478100000000, 0.0002710200000000, -0.0017433700000000 ] - [ -0.0007332400000000, -0.0002895000000000, 0.0002760300000000 ] - [ 0.0005008600000000, 0.0001063400000000, -0.0005798100000000 ] - [ -0.0005400800000000, -0.0002660100000000, 0.0000894300000000 ] - [ -0.0011042000000000, 0.0005497200000000, 0.0012773700000000 ] - [ 0.0004148200000000, -0.0019192100000000, -0.0016614400000000 ] - [ -0.0009035900000000, -0.0000847400000000, 0.0012682600000000 ] - [ -0.0000637200000000, 0.0014455800000000, -0.0019956600000000 ] - [ -0.0002146500000000, 0.0001244400000000, 0.0004769000000000 ] - [ 0.0000601600000000, 0.0000319200000000, 0.0005418900000000 ] - [ -0.0003795200000000, -0.0000096400000000, 0.0003777400000000 ] - [ -0.0010434900000000, 0.0005796700000000, 0.0023749600000000 ] - [ -0.0088596900000000, 0.0210919100000000, 0.0356456600000000 ] - [ -0.0009308800000000, 0.0000825900000000, -0.0000854700000000 ] - [ 0.0010374600000000, -0.0000419700000000, -0.0012985800000000 ] - [ -0.0006772400000000, 0.0003211900000000, -0.0000801700000000 ] - [ 0.0017489400000000, 0.0005182600000000, -0.0013079000000000 ] - [ 0.0012023100000000, -0.0005712300000000, 0.0018439000000000 ] - [ 0.0011095700000000, -0.0007559600000000, -0.0006542300000000 ] - [ 0.0004136800000000, -0.0001867700000000, 0.0004412000000000 ] - [ -0.0008493800000000, -0.0006201900000000, -0.0009208100000000 ] - [ 0.0004355300000000, -0.0000589300000000, 0.0001804900000000 ] - [ -0.0008393600000000, -0.0000583300000000, 0.0000076500000000 ] - [ 0.0004609300000000, -0.0004115100000000, 0.0001337600000000 ] - [ 0.0000167400000000, -0.0017627600000000, 0.0011167100000000 ] - [ 0.0010387500000000, 0.0004482200000000, 0.0001620400000000 ] - [ -0.0148535800000000, -0.0026112900000000, 0.0017191200000000 ] - [ 0.0025700400000000, 0.0000080300000000, 0.0001287000000000 ] - [ 0.0013902400000000, -0.0005888900000000, 0.0009931800000000 ] - [ 0.0017940400000000, 0.0013960100000000, -0.0015111800000000 ] - [ 0.0006001200000000, 0.0008376100000000, 0.0006216700000000 ] - [ 0.0010271500000000, -0.0008015900000000, -0.0010854400000000 ] - [ -0.0047972700000000, 0.0016982400000000, -0.0009126600000000 ] - [ 0.0010415400000000, -0.0000692200000000, 0.0000727300000000 ] - [ -0.0022918800000000, -0.0008409100000000, -0.0007883400000000 ] - [ 0.0008115400000000, -0.0001228500000000, 0.0000331700000000 ] - [ 0.0012478300000000, -0.0001157100000000, -0.0000360900000000 ] - [ -0.0007900600000000, 0.0002121600000000, -0.0000250800000000 ] - [ 0.0011279400000000, 0.0000519700000000, 0.0000624600000000 ] - [ -0.0006863200000000, -0.0004253300000000, -0.0001543500000000 ] - [ 0.0017784300000000, -0.0002027900000000, 0.0003969600000000 ] - [ -0.0023210800000000, 0.0012188400000000, 0.0001582800000000 ] - [ 0.0026024300000000, 0.0001765500000000, 0.0004415200000000 ] - [ -0.0176750200000000, 0.0096703200000000, 0.0017090800000000 ] - [ -0.0089396800000000, 0.0015135900000000, -0.0005093200000000 ] - [ 0.0010020800000000, 0.0001342100000000, -0.0000481600000000 ] - [ -0.0025935700000000, -0.0008084500000000, -0.0003344600000000 ] - [ 0.0008839900000000, 0.0000579300000000, -0.0000710900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0063911000000000, -0.0057317500000000, -0.0084814500000000 ] - [ 0.0000883800000000, 0.0000217000000000, -0.0002554600000000 ] - [ -0.0004002600000000, -0.0021146200000000, 0.0008778500000000 ] - [ 0.0003007600000000, -0.0005700800000000, -0.0000794900000000 ] - [ -0.0000466500000000, 0.0002709200000000, -0.0001400300000000 ] - [ 0.0003948500000000, 0.0006495000000000, -0.0003913400000000 ] - [ 0.0001707600000000, -0.0008035900000000, -0.0000027300000000 ] - [ -0.0004979200000000, -0.0010506200000000, 0.0005439600000000 ] - [ 0.0011606400000000, 0.0027814100000000, -0.0009379500000000 ] - [ -0.0016959100000000, 0.0045302600000000, 0.0006186100000000 ] - [ -0.0009145300000000, -0.0024471100000000, 0.0022046800000000 ] - [ 0.0001740400000000, -0.0034929500000000, 0.0012171300000000 ] - [ -0.0002418900000000, -0.0011644100000000, 0.0008780600000000 ] - [ 0.0001630600000000, 0.0001700100000000, -0.0004084500000000 ] - [ 0.0011734900000000, -0.0004583700000000, -0.0033131700000000 ] - [ 0.0003866100000000, 0.0002988000000000, -0.0005532500000000 ] - [ -0.0641683800000000, 0.2253803100000000, 0.0810612800000000 ] - [ 0.0001676600000000, 0.0008704200000000, 0.0001099700000000 ] - [ 0.0000435600000000, -0.0094880500000000, 0.0032150800000000 ] - [ 0.0003263400000000, 0.0000978100000000, 0.0000913200000000 ] - [ 0.0001353800000000, 0.0003456800000000, -0.0003238500000000 ] - [ -0.0009755100000000, -0.0014145500000000, 0.0008058700000000 ] - [ -0.0001962200000000, 0.0006475200000000, -0.0002387800000000 ] - [ 0.0012653700000000, 0.0012107600000000, -0.0024350500000000 ] - [ 0.0004218600000000, -0.0003982600000000, -0.0005430300000000 ] - [ -0.0011160000000000, 0.0008516900000000, -0.0014624400000000 ] - [ -0.0003186100000000, -0.0007542300000000, 0.0003024800000000 ] - [ -0.0006622200000000, -0.0021134200000000, 0.0018095600000000 ] - [ 0.0003075800000000, 0.0003423400000000, -0.0006144000000000 ] - [ 0.0002751500000000, -0.0003741900000000, -0.0001107200000000 ] - [ -0.0001080600000000, -0.0014377400000000, 0.0004426200000000 ] - [ 0.0001829200000000, -0.0006561700000000, 0.0000241600000000 ] - [ 0.0001717600000000, -0.0008022000000000, -0.0002777900000000 ] - [ -0.0007476900000000, -0.0030628600000000, 0.0025964100000000 ] - [ 0.0000049900000000, -0.0001734700000000, -0.0003033500000000 ] - [ 0.0003108800000000, 0.0013517700000000, -0.0009061500000000 ] - [ -0.0112441800000000, 0.0764950400000000, -0.0009663300000000 ] - [ -0.0003498500000000, -0.0007007300000000, 0.0003564200000000 ] - [ 0.0026157500000000, 0.0144474700000000, -0.0010785400000000 ] - [ -0.0004409500000000, -0.0002799700000000, 0.0002883600000000 ] - [ 0.0000900400000000, 0.0010088500000000, 0.0005022100000000 ] - [ -0.0003037900000000, 0.0005918000000000, 0.0003942000000000 ] - [ -0.0000047000000000, 0.0000551600000000, 0.0005923900000000 ] - [ -0.0003018500000000, 0.0004831000000000, 0.0004036000000000 ] - [ -0.0002049800000000, 0.0001805000000000, -0.0002333900000000 ] - [ 0.0006629600000000, -0.0009765300000000, -0.0001286700000000 ] - [ -0.0000529800000000, 0.0009279500000000, -0.0004650000000000 ] - [ 0.0007460100000000, 0.0020928900000000, -0.0010491600000000 ] - [ 0.1018733800000000, -0.3387879600000000, -0.1091769000000000 ] - [ -0.0002979400000000, 0.0000979700000000, -0.0003048000000000 ] - [ -0.0009759400000000, 0.0095434100000000, 0.0000222700000000 ] - [ -0.0004017500000000, 0.0008044600000000, -0.0001951500000000 ] - [ -0.0001097400000000, 0.0003779100000000, 0.0001474500000000 ] - [ 0.0022001400000000, 0.0013015800000000, -0.0016436600000000 ] - [ 0.0001396100000000, 0.0003801600000000, 0.0004039000000000 ] - [ -0.0005016400000000, 0.0013274500000000, 0.0033313200000000 ] - [ -0.0002516100000000, -0.0003198900000000, 0.0003844200000000 ] - [ 0.0012378200000000, -0.0004582600000000, 0.0012205800000000 ] - [ -0.0000004400000000, -0.0004872600000000, 0.0001282600000000 ] - [ 0.0000762100000000, -0.0002373600000000, -0.0013842200000000 ] - [ -0.0000009300000000, -0.0013813500000000, 0.0001529600000000 ] - [ -0.0003232300000000, -0.0006277900000000, -0.0001341700000000 ] - [ 0.0002070100000000, 0.0004558200000000, -0.0002880600000000 ] - [ -0.0002590000000000, -0.0003328600000000, -0.0002209700000000 ] - [ 0.0021428000000000, -0.0014423700000000, 0.0045920600000000 ] - [ -0.0003335200000000, -0.0003085800000000, 0.0005052400000000 ] - [ -0.0003457300000000, 0.0015020700000000, -0.0009898100000000 ] - [ -0.0001018600000000, 0.0002398400000000, 0.0003602200000000 ] - [ -0.0023984300000000, -0.0016326800000000, -0.0001551300000000 ] - [ 0.0008880700000000, -0.0014323500000000, -0.0000008400000000 ] - [ 0.0025831300000000, 0.0032363300000000, -0.0005447100000000 ] - [ -0.0026779800000000, 0.0028921900000000, -0.0008688100000000 ] - [ -0.0004044500000000, 0.0004798000000000, 0.0000728000000000 ] - [ 0.0002689400000000, 0.0002836900000000, -0.0002758200000000 ] - [ -0.0000034400000000, -0.0001802400000000, -0.0000890300000000 ] - [ -0.0002742400000000, 0.0000054200000000, -0.0001329800000000 ] - [ -0.0029453900000000, -0.0015637300000000, 0.0051031300000000 ] - [ -0.0000509000000000, -0.0001609800000000, 0.0002505800000000 ] - [ 0.0004402700000000, 0.0013996600000000, -0.0004511300000000 ] - [ -0.0000715100000000, 0.0003765200000000, 0.0001313900000000 ] - [ -0.0012188900000000, 0.0008786600000000, -0.0011247800000000 ] - [ -0.0003773900000000, 0.0002226200000000, 0.0001269500000000 ] - [ -0.0001257400000000, 0.0009568100000000, 0.0010475800000000 ] - [ -0.0005767600000000, 0.0002497700000000, 0.0001706600000000 ] - [ 0.0010864800000000, -0.0026840600000000, -0.0006368300000000 ] - [ -0.0013894800000000, -0.0035545000000000, -0.0010896800000000 ] - [ -0.0010456100000000, 0.0028812800000000, -0.0002321200000000 ] - [ 0.0012306400000000, 0.0033293700000000, 0.0002143400000000 ] - [ 0.0001706700000000, -0.0007867200000000, 0.0001895200000000 ] - [ 0.0003109800000000, -0.0010212800000000, 0.0002078700000000 ] - [ 0.0002899600000000, 0.0002968100000000, 0.0000705600000000 ] - [ 0.0004099800000000, 0.0004918800000000, 0.0000446500000000 ] - [ -0.0021945400000000, 0.0030642500000000, 0.0025742200000000 ] - [ -0.0002526300000000, -0.0002896700000000, 0.0000733200000000 ] - [ 0.0003715000000000, 0.0005059900000000, -0.0023828800000000 ] - [ -0.0006746900000000, -0.0001474000000000, -0.0002356200000000 ] - [ -0.0011206300000000, -0.0013837100000000, 0.0005989200000000 ] - [ -0.0002519600000000, -0.0002510200000000, -0.0000494900000000 ] - [ 0.0005860100000000, 0.0007483100000000, -0.0008003700000000 ] - [ -0.0001154700000000, -0.0000720500000000, -0.0002225100000000 ] - [ -0.0006143900000000, -0.0005780600000000, 0.0007076400000000 ] - [ 0.0021539900000000, -0.0014858400000000, 0.0006053000000000 ] - [ 0.0003878300000000, 0.0003041500000000, -0.0002132700000000 ] - [ -0.0008187000000000, 0.0017282100000000, -0.0017106200000000 ] - [ -0.0002679300000000, 0.0002022000000000, 0.0005015100000000 ] - [ 0.0008188200000000, 0.0006610800000000, -0.0005678000000000 ] - [ 0.0000333000000000, -0.0000481000000000, 0.0006536800000000 ] - [ -0.0009418900000000, -0.0001794500000000, 0.0019377500000000 ] - [ -0.0185730400000000, 0.0029143800000000, 0.0282186500000000 ] - [ -0.0001530700000000, -0.0000566300000000, -0.0004064600000000 ] - [ 0.0007199000000000, 0.0025125700000000, -0.0017144700000000 ] - [ -0.0002230300000000, 0.0002992600000000, -0.0003598700000000 ] - [ 0.0007620400000000, 0.0013401100000000, 0.0002983300000000 ] - [ 0.0007517500000000, 0.0006271900000000, 0.0007813400000000 ] - [ 0.0013641200000000, -0.0014616000000000, -0.0005700100000000 ] - [ -0.0001448800000000, -0.0011587400000000, -0.0001572000000000 ] - [ -0.0001393900000000, 0.0000515300000000, -0.0007220600000000 ] - [ -0.0002592800000000, -0.0000204800000000, 0.0000743000000000 ] - [ -0.0003759700000000, -0.0007059300000000, -0.0000003300000000 ] - [ -0.0000600300000000, -0.0004509600000000, 0.0001238500000000 ] - [ 0.0066296600000000, -0.0065381700000000, -0.0000486000000000 ] - [ -0.0004117400000000, -0.0002223100000000, 0.0001800600000000 ] - [ 0.0000599900000000, 0.0076127700000000, 0.0013131400000000 ] - [ 0.0011253300000000, 0.0007438000000000, 0.0002876100000000 ] - [ 0.0007527700000000, 0.0018872800000000, 0.0003687000000000 ] - [ 0.0000857500000000, 0.0016642900000000, -0.0000859400000000 ] - [ 0.0001207700000000, -0.0010281100000000, -0.0006715500000000 ] - [ 0.0007457300000000, -0.0011527200000000, -0.0009963000000000 ] - [ -0.0022259300000000, 0.0039413800000000, 0.0018306200000000 ] - [ 0.0000234400000000, 0.0001685600000000, -0.0000248000000000 ] - [ -0.0010788400000000, -0.0025549300000000, -0.0012586000000000 ] - [ -0.0000275400000000, -0.0002946200000000, -0.0000538300000000 ] - [ 0.0007708800000000, 0.0000918600000000, -0.0000519100000000 ] - [ -0.0002462700000000, 0.0004148900000000, -0.0002551200000000 ] - [ 0.0004731800000000, -0.0001938600000000, 0.0000366900000000 ] - [ 0.0000259100000000, -0.0006121200000000, 0.0000911900000000 ] - [ 0.0012257600000000, -0.0003575900000000, 0.0002755600000000 ] - [ -0.0074559900000000, -0.0058983200000000, 0.0006186700000000 ] - [ -0.0002123600000000, 0.0004291600000000, 0.0001867600000000 ] - [ -0.0096378900000000, 0.0134943200000000, 0.0016245100000000 ] - [ -0.0017021300000000, 0.0131621600000000, -0.0011599000000000 ] - [ -0.0000724300000000, 0.0003444600000000, -0.0000690700000000 ] - [ -0.0008989100000000, -0.0038028300000000, -0.0015556100000000 ] - [ -0.0000682100000000, -0.0002179700000000, -0.0001935300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0062049400000000, 0.0052987600000000, 0.0080222000000000 ] - [ 0.0001493600000000, -0.0004984900000000, -0.0002565100000000 ] - [ 0.0006485100000000, 0.0016258600000000, -0.0014053900000000 ] - [ -0.0000655200000000, 0.0000890300000000, -0.0004336300000000 ] - [ -0.0001900500000000, -0.0007533000000000, 0.0006501900000000 ] - [ -0.0006265800000000, -0.0011305100000000, 0.0008990800000000 ] - [ -0.0004060900000000, 0.0003260300000000, 0.0005159000000000 ] - [ 0.0002637700000000, 0.0005741400000000, -0.0000329200000000 ] - [ -0.0014000400000000, -0.0022998200000000, 0.0014466400000000 ] - [ 0.0014807000000000, -0.0040354000000000, -0.0001038300000000 ] - [ 0.0006809200000000, 0.0029176100000000, -0.0016928800000000 ] - [ -0.0004121300000000, 0.0039794500000000, -0.0007107000000000 ] - [ 0.0004763800000000, 0.0016656300000000, -0.0013719600000000 ] - [ 0.0000714100000000, 0.0003121000000000, -0.0001015000000000 ] - [ -0.0009223200000000, 0.0009049100000000, 0.0027848100000000 ] - [ -0.0001511400000000, 0.0001770200000000, 0.0000408900000000 ] - [ 0.0588073100000000, -0.2120718700000000, -0.0735549300000000 ] - [ 0.0000532000000000, 0.0001719800000000, 0.0001213200000000 ] - [ 0.0001859300000000, 0.0105375200000000, -0.0030132900000000 ] - [ -0.0001081100000000, 0.0009441700000000, 0.0001418900000000 ] - [ -0.0003548700000000, 0.0006992500000000, 0.0000924400000000 ] - [ 0.0007573200000000, 0.0024783000000000, -0.0010381000000000 ] - [ -0.0000260100000000, 0.0003917900000000, 0.0000076300000000 ] - [ -0.0014908200000000, -0.0002193400000000, 0.0022035100000000 ] - [ -0.0006416400000000, -0.0006428800000000, 0.0003091000000000 ] - [ 0.0008938900000000, -0.0018726200000000, 0.0012348100000000 ] - [ 0.0001019100000000, -0.0002897600000000, -0.0005395800000000 ] - [ 0.0004471600000000, 0.0010677900000000, -0.0020581600000000 ] - [ -0.0000833200000000, -0.0013930400000000, 0.0008364300000000 ] - [ -0.0000556700000000, -0.0006694400000000, 0.0003434300000000 ] - [ 0.0003267200000000, 0.0004001600000000, -0.0002070200000000 ] - [ 0.0000364600000000, -0.0003857200000000, 0.0002092200000000 ] - [ 0.0001640100000000, -0.0002214800000000, -0.0004069000000000 ] - [ 0.0010512500000000, 0.0020857400000000, -0.0032474900000000 ] - [ 0.0003274000000000, -0.0008528700000000, -0.0003824400000000 ] - [ 0.0000257700000000, -0.0023879500000000, 0.0002115800000000 ] - [ 0.0106148800000000, -0.0759382300000000, 0.0016893200000000 ] - [ 0.0000161600000000, -0.0003254000000000, 0.0003280700000000 ] - [ -0.0029829000000000, -0.0156197100000000, 0.0017600500000000 ] - [ 0.0001085000000000, -0.0007436600000000, 0.0003955900000000 ] - [ -0.0004229800000000, 0.0000092600000000, 0.0001821800000000 ] - [ -0.0000291000000000, 0.0004308600000000, 0.0002894100000000 ] - [ -0.0003305700000000, 0.0009769600000000, 0.0000960100000000 ] - [ -0.0000312600000000, 0.0005416100000000, 0.0002805300000000 ] - [ 0.0005388100000000, 0.0008429700000000, -0.0004499100000000 ] - [ -0.0003369600000000, 0.0019933800000000, -0.0005647700000000 ] - [ 0.0003853100000000, 0.0000957600000000, -0.0002174900000000 ] - [ -0.0004130700000000, -0.0010700900000000, 0.0003719000000000 ] - [ -0.0966416000000000, 0.3268205400000000, 0.1016043200000000 ] - [ 0.0000286000000000, 0.0007541800000000, -0.0001754600000000 ] - [ 0.0007139100000000, -0.0086869000000000, -0.0005027200000000 ] - [ 0.0001322500000000, 0.0000464000000000, -0.0002855500000000 ] - [ 0.0003796500000000, 0.0004712800000000, 0.0003311400000000 ] - [ -0.0019464100000000, -0.0004818200000000, 0.0021162100000000 ] - [ 0.0001298200000000, 0.0004736300000000, 0.0000738700000000 ] - [ 0.0007772500000000, -0.0004559600000000, -0.0028708700000000 ] - [ 0.0005207800000000, -0.0005334700000000, 0.0000964900000000 ] - [ -0.0009628600000000, -0.0004053000000000, -0.0007366100000000 ] - [ 0.0002690000000000, -0.0003625000000000, 0.0003540200000000 ] - [ 0.0001906500000000, -0.0006056900000000, 0.0018730800000000 ] - [ -0.0002696600000000, 0.0005302900000000, -0.0006277900000000 ] - [ 0.0000543400000000, -0.0002238000000000, -0.0003452800000000 ] - [ -0.0004764200000000, -0.0013086700000000, -0.0001904600000000 ] - [ -0.0000098700000000, -0.0005191700000000, -0.0002584100000000 ] - [ -0.0021333300000000, 0.0013104400000000, -0.0040230000000000 ] - [ 0.0003227200000000, 0.0001418200000000, 0.0000266400000000 ] - [ 0.0003337400000000, -0.0016764200000000, 0.0015015600000000 ] - [ 0.0000945800000000, -0.0004123500000000, 0.0001702600000000 ] - [ 0.0024034100000000, 0.0014503700000000, -0.0003790700000000 ] - [ -0.0008827300000000, 0.0012519200000000, -0.0005315500000000 ] - [ -0.0025738800000000, -0.0034032400000000, 0.0000077700000000 ] - [ 0.0027102700000000, -0.0030796500000000, 0.0003352300000000 ] - [ 0.0004146400000000, -0.0003135400000000, -0.0006051200000000 ] - [ -0.0002609500000000, -0.0001164900000000, -0.0002553800000000 ] - [ 0.0000128900000000, 0.0003514900000000, -0.0004416600000000 ] - [ 0.0002812700000000, 0.0001660600000000, -0.0003971000000000 ] - [ 0.0029489500000000, 0.0017316400000000, -0.0045850800000000 ] - [ 0.0000401800000000, 0.0003288400000000, 0.0002824800000000 ] - [ -0.0004538700000000, -0.0012320600000000, 0.0009930800000000 ] - [ 0.0000638600000000, -0.0002074200000000, 0.0004029100000000 ] - [ 0.0005482200000000, -0.0004386900000000, 0.0012221300000000 ] - [ -0.0003106600000000, 0.0002436600000000, -0.0000268400000000 ] - [ -0.0005668100000000, -0.0004626900000000, -0.0009470300000000 ] - [ -0.0001091600000000, 0.0002222100000000, -0.0000712000000000 ] - [ -0.0003981200000000, 0.0031585500000000, 0.0005387200000000 ] - [ 0.0020543600000000, 0.0040370200000000, 0.0009866900000000 ] - [ 0.0017178100000000, -0.0024039600000000, 0.0001369000000000 ] - [ -0.0005380200000000, -0.0028637400000000, -0.0003086000000000 ] - [ 0.0005186100000000, 0.0003175400000000, -0.0002884200000000 ] - [ 0.0003727900000000, 0.0005516500000000, -0.0003062800000000 ] - [ 0.0003963600000000, -0.0007673200000000, -0.0001719100000000 ] - [ 0.0002763500000000, -0.0009637600000000, -0.0001461300000000 ] - [ 0.0015170900000000, -0.0035821200000000, -0.0024710100000000 ] - [ -0.0004337100000000, -0.0001833500000000, 0.0000274600000000 ] - [ -0.0010622600000000, -0.0009655500000000, 0.0024903000000000 ] - [ -0.0000109800000000, -0.0003201300000000, 0.0003374400000000 ] - [ 0.0010614000000000, 0.0011577900000000, -0.0012512900000000 ] - [ 0.0001948400000000, 0.0000189700000000, -0.0006175200000000 ] - [ -0.0006428400000000, -0.0009861800000000, 0.0001280700000000 ] - [ 0.0000586400000000, -0.0001615800000000, -0.0004452000000000 ] - [ 0.0006715300000000, 0.0003444600000000, -0.0000386300000000 ] - [ -0.0021007200000000, 0.0012408400000000, 0.0000582700000000 ] - [ -0.0003339200000000, -0.0005339300000000, 0.0008845800000000 ] - [ 0.0008762200000000, -0.0019636300000000, 0.0023918900000000 ] - [ 0.0003256800000000, 0.0000287900000000, 0.0001644800000000 ] - [ -0.0007631900000000, -0.0004338100000000, 0.0012354100000000 ] - [ 0.0000260600000000, 0.0002818500000000, 0.0000127400000000 ] - [ 0.0009961000000000, 0.0004232100000000, -0.0012642400000000 ] - [ 0.0185948800000000, -0.0029365700000000, -0.0289813200000000 ] - [ 0.0000943900000000, 0.0002886700000000, -0.0002600700000000 ] - [ -0.0007903800000000, -0.0022784300000000, 0.0010724200000000 ] - [ 0.0001671500000000, -0.0000661300000000, -0.0003063900000000 ] - [ -0.0002189500000000, -0.0018162800000000, -0.0006054900000000 ] - [ -0.0002036300000000, -0.0011058800000000, -0.0010844800000000 ] - [ -0.0008173800000000, 0.0009977700000000, 0.0002605500000000 ] - [ 0.0006886100000000, 0.0006958200000000, -0.0001507000000000 ] - [ -0.0004099000000000, -0.0005151900000000, 0.0010243100000000 ] - [ -0.0002848500000000, -0.0004473500000000, 0.0002289800000000 ] - [ -0.0001704700000000, 0.0002322500000000, 0.0003000200000000 ] - [ -0.0004855200000000, -0.0000195600000000, 0.0001788800000000 ] - [ -0.0071247900000000, 0.0069978900000000, 0.0003382500000000 ] - [ -0.0001368600000000, 0.0006969500000000, 0.0001236200000000 ] - [ -0.0009099500000000, -0.0073267100000000, -0.0009734900000000 ] - [ -0.0016754900000000, -0.0002842700000000, 0.0000147200000000 ] - [ -0.0002184400000000, -0.0014090400000000, -0.0006714800000000 ] - [ 0.0004737300000000, -0.0011898200000000, -0.0002220000000000 ] - [ 0.0004272100000000, 0.0014911200000000, 0.0003740900000000 ] - [ -0.0002032900000000, 0.0016219100000000, 0.0007023600000000 ] - [ 0.0015743400000000, -0.0040755400000000, -0.0020113500000000 ] - [ -0.0006752300000000, -0.0002768600000000, -0.0001754300000000 ] - [ 0.0004278100000000, 0.0024531900000000, 0.0010436000000000 ] - [ -0.0006247200000000, 0.0001893200000000, -0.0001466500000000 ] - [ -0.0001203600000000, -0.0001973400000000, 0.0002506800000000 ] - [ 0.0009011700000000, -0.0005156500000000, 0.0004532700000000 ] - [ 0.0001779800000000, 0.0000859200000000, 0.0001609800000000 ] - [ 0.0006266000000000, 0.0005012400000000, 0.0001052000000000 ] - [ -0.0005694200000000, 0.0004669300000000, -0.0000748300000000 ] - [ 0.0080516500000000, 0.0060110700000000, -0.0004081200000000 ] - [ 0.0008671600000000, -0.0003260100000000, 0.0000146900000000 ] - [ 0.0109700100000000, -0.0138854900000000, -0.0015035500000000 ] - [ 0.0010334800000000, -0.0129696100000000, 0.0007870000000000 ] - [ -0.0005792600000000, -0.0002379000000000, -0.0001294800000000 ] - [ 0.0002473900000000, 0.0039095700000000, 0.0013817900000000 ] - [ -0.0005844300000000, 0.0003230300000000, -0.0000040500000000 ]- atom: 49 displacement: [ -0.0004367987813524, 0.0000000000000000, 0.0099904557866300 ] forces: - [ 0.0082858400000000, -0.0090392000000000, -0.0117357400000000 ] - [ 0.0000620700000000, -0.0002562100000000, -0.0001200300000000 ] - [ -0.0002505400000000, 0.0014939200000000, -0.0001451800000000 ] - [ 0.0001561800000000, -0.0001691000000000, -0.0001863800000000 ] - [ -0.0000595700000000, -0.0003848700000000, -0.0006265800000000 ] - [ 0.0008041100000000, 0.0001125800000000, -0.0011684400000000 ] - [ 0.0000767700000000, -0.0004813200000000, -0.0004198600000000 ] - [ 0.0003908600000000, -0.0001416100000000, -0.0005457200000000 ] - [ 0.0006243000000000, -0.0002132400000000, 0.0011545000000000 ] - [ -0.0012556000000000, 0.0005939600000000, 0.0021228800000000 ] - [ -0.0002473200000000, -0.0001966200000000, 0.0006861700000000 ] - [ -0.0005458900000000, -0.0002391200000000, 0.0011888800000000 ] - [ 0.0003290800000000, 0.0027200600000000, 0.0002457500000000 ] - [ 0.0002822000000000, 0.0004331500000000, -0.0004361200000000 ] - [ 0.0011871000000000, -0.0029087800000000, -0.0034269700000000 ] - [ 0.0004057100000000, 0.0001909300000000, -0.0006290000000000 ] - [ -0.0324966300000000, 0.0804809500000000, 0.0936673600000000 ] - [ 0.0001325100000000, 0.0005275300000000, 0.0003089000000000 ] - [ -0.0005783200000000, -0.0000411800000000, 0.0013588600000000 ] - [ 0.0001540700000000, 0.0004503800000000, 0.0002383000000000 ] - [ -0.0001200200000000, 0.0005722000000000, -0.0001673900000000 ] - [ 0.0006587000000000, 0.0024704900000000, -0.0015234900000000 ] - [ -0.0003858800000000, 0.0003291400000000, -0.0001404500000000 ] - [ 0.0007207300000000, -0.0034511800000000, -0.0027401900000000 ] - [ 0.0004164200000000, -0.0006874600000000, -0.0004093500000000 ] - [ -0.0015183500000000, -0.0025811900000000, 0.0003413900000000 ] - [ -0.0000200000000000, -0.0005179500000000, -0.0001147900000000 ] - [ -0.0009774500000000, 0.0006062000000000, 0.0011749100000000 ] - [ 0.0017060300000000, -0.0007339800000000, -0.0032951900000000 ] - [ 0.0002985800000000, -0.0004875200000000, -0.0002394000000000 ] - [ 0.0005472900000000, -0.0007793600000000, -0.0009869400000000 ] - [ 0.0002623100000000, -0.0005556000000000, -0.0001629300000000 ] - [ 0.0005203900000000, -0.0004216200000000, -0.0004351700000000 ] - [ -0.0046348700000000, 0.0023541400000000, 0.0032655000000000 ] - [ 0.0002208500000000, -0.0004368800000000, -0.0004399500000000 ] - [ 0.0000403300000000, -0.0013606200000000, -0.0005038200000000 ] - [ 0.0009656900000000, -0.0030634600000000, -0.0197524500000000 ] - [ -0.0003275600000000, -0.0004967000000000, 0.0001545200000000 ] - [ 0.0004777400000000, 0.0009620000000000, -0.0024576600000000 ] - [ -0.0003212300000000, -0.0004867700000000, 0.0001919500000000 ] - [ -0.0000308600000000, 0.0008137000000000, 0.0014395100000000 ] - [ -0.0002998200000000, 0.0005581400000000, 0.0005339300000000 ] - [ -0.0005143900000000, 0.0008232500000000, 0.0023184700000000 ] - [ -0.0002814100000000, 0.0005366800000000, 0.0005535600000000 ] - [ -0.0004122700000000, 0.0005243500000000, -0.0001753600000000 ] - [ 0.0022502500000000, 0.0015789900000000, 0.0010953500000000 ] - [ -0.0001651600000000, 0.0006799800000000, -0.0002436500000000 ] - [ 0.0005941100000000, 0.0002816800000000, -0.0004030600000000 ] - [ 0.0706404600000000, -0.1108731300000000, -0.1349842500000000 ] - [ -0.0003080000000000, 0.0003682100000000, -0.0004590900000000 ] - [ 0.0003190900000000, 0.0007187400000000, -0.0008873900000000 ] - [ -0.0002940300000000, 0.0004826100000000, -0.0003806400000000 ] - [ 0.0002422600000000, 0.0002619000000000, 0.0000976300000000 ] - [ -0.0025698600000000, -0.0026833200000000, 0.0003329600000000 ] - [ 0.0002220000000000, 0.0005058300000000, 0.0000971600000000 ] - [ -0.0001752700000000, 0.0023867700000000, 0.0004359400000000 ] - [ -0.0002695400000000, -0.0002652000000000, 0.0004678400000000 ] - [ 0.0007528900000000, 0.0005052300000000, 0.0006340700000000 ] - [ -0.0002116300000000, -0.0005334900000000, 0.0003701800000000 ] - [ 0.0015491100000000, -0.0020528900000000, 0.0007519300000000 ] - [ -0.0002503500000000, -0.0008102600000000, 0.0025146800000000 ] - [ -0.0002830200000000, -0.0005395900000000, 0.0000115700000000 ] - [ -0.0001819600000000, -0.0003610400000000, 0.0005084400000000 ] - [ -0.0002575600000000, -0.0004498600000000, -0.0000549400000000 ] - [ 0.0047572000000000, 0.0025507100000000, 0.0044020200000000 ] - [ -0.0006011100000000, 0.0000967100000000, 0.0002371700000000 ] - [ 0.0002548000000000, -0.0006390500000000, -0.0008555000000000 ] - [ -0.0002821800000000, 0.0000023900000000, 0.0002021900000000 ] - [ -0.0003016000000000, -0.0000659200000000, -0.0016250700000000 ] - [ -0.0000072700000000, -0.0000285600000000, -0.0015441000000000 ] - [ 0.0000153300000000, -0.0000019000000000, -0.0007897700000000 ] - [ -0.0005806900000000, 0.0006645200000000, -0.0009729100000000 ] - [ -0.0002197100000000, 0.0003453300000000, 0.0006062400000000 ] - [ -0.0001062100000000, 0.0002791700000000, 0.0004193400000000 ] - [ -0.0000993300000000, 0.0000539900000000, 0.0006370100000000 ] - [ -0.0002702600000000, 0.0002557300000000, 0.0007558600000000 ] - [ -0.0039701100000000, -0.0007671900000000, 0.0071669100000000 ] - [ 0.0002224800000000, 0.0001706800000000, 0.0003830800000000 ] - [ -0.0000228100000000, -0.0001875400000000, 0.0009390300000000 ] - [ 0.0000452500000000, 0.0001632900000000, 0.0003596300000000 ] - [ 0.0021021500000000, -0.0027800800000000, 0.0013253300000000 ] - [ -0.0006932400000000, 0.0000449400000000, 0.0001957800000000 ] - [ -0.0003212500000000, 0.0025312300000000, 0.0009170300000000 ] - [ -0.0006036900000000, 0.0002998200000000, 0.0001748800000000 ] - [ -0.0005710500000000, -0.0001006400000000, -0.0010202300000000 ] - [ 0.0007805500000000, -0.0003348600000000, -0.0012667000000000 ] - [ 0.0000735000000000, 0.0006246000000000, -0.0004146000000000 ] - [ 0.0004748600000000, 0.0005995600000000, -0.0004168700000000 ] - [ 0.0005247000000000, -0.0003309800000000, 0.0007107200000000 ] - [ 0.0000687100000000, -0.0005329600000000, 0.0007686700000000 ] - [ 0.0004115100000000, 0.0000042400000000, 0.0002947000000000 ] - [ 0.0002234000000000, -0.0002633300000000, 0.0003446000000000 ] - [ -0.0024325400000000, 0.0071490500000000, 0.0018189100000000 ] - [ -0.0002890800000000, -0.0001934700000000, -0.0000466400000000 ] - [ -0.0013597800000000, -0.0023277300000000, -0.0001197500000000 ] - [ -0.0002994800000000, -0.0003479700000000, -0.0000974400000000 ] - [ -0.0005576800000000, 0.0007473000000000, 0.0031348300000000 ] - [ -0.0002714400000000, -0.0001969500000000, 0.0000330300000000 ] - [ -0.0004388900000000, -0.0005373500000000, 0.0005062400000000 ] - [ -0.0002175500000000, -0.0002019700000000, -0.0000615100000000 ] - [ -0.0004562500000000, -0.0000841900000000, 0.0001341800000000 ] - [ 0.0012805200000000, 0.0000658800000000, -0.0008155500000000 ] - [ -0.0000981500000000, -0.0001416700000000, 0.0001191500000000 ] - [ 0.0004376800000000, -0.0000472800000000, -0.0011862900000000 ] - [ 0.0000490700000000, 0.0000176300000000, 0.0007087200000000 ] - [ -0.0005904100000000, -0.0002680700000000, 0.0016594600000000 ] - [ 0.0001813500000000, 0.0000918100000000, 0.0007694500000000 ] - [ -0.0010480100000000, 0.0007644300000000, 0.0026652100000000 ] - [ -0.0380622800000000, 0.0345619200000000, 0.0432250700000000 ] - [ -0.0000415000000000, 0.0000858700000000, -0.0005116800000000 ] - [ 0.0006686300000000, 0.0000469800000000, -0.0014782900000000 ] - [ -0.0000789700000000, 0.0001049500000000, -0.0004595500000000 ] - [ 0.0022076700000000, 0.0010301300000000, -0.0007149900000000 ] - [ -0.0010464700000000, 0.0002955900000000, -0.0004083900000000 ] - [ 0.0015572200000000, -0.0010948200000000, -0.0005615700000000 ] - [ -0.0002414800000000, -0.0005729500000000, -0.0002225600000000 ] - [ -0.0006973800000000, -0.0003983200000000, -0.0031897800000000 ] - [ -0.0001063700000000, -0.0002033900000000, -0.0002959100000000 ] - [ -0.0004173200000000, -0.0005212400000000, -0.0012010900000000 ] - [ -0.0000807100000000, -0.0003089600000000, -0.0001775100000000 ] - [ -0.0001699600000000, -0.0013211000000000, 0.0024335200000000 ] - [ -0.0000778900000000, 0.0001575700000000, 0.0005129500000000 ] - [ -0.0025773500000000, 0.0000683700000000, 0.0077823400000000 ] - [ 0.0001329700000000, 0.0003475100000000, 0.0006543700000000 ] - [ -0.0017016200000000, 0.0012030900000000, 0.0000962900000000 ] - [ 0.0023516800000000, 0.0009827300000000, -0.0003223300000000 ] - [ -0.0004228500000000, -0.0002259000000000, 0.0000761100000000 ] - [ 0.0010416500000000, -0.0001843200000000, -0.0002336000000000 ] - [ -0.0014075500000000, 0.0034124600000000, -0.0082572300000000 ] - [ -0.0000351300000000, 0.0000367500000000, -0.0002450200000000 ] - [ -0.0012536200000000, -0.0013459700000000, -0.0010179800000000 ] - [ -0.0000457000000000, -0.0001483500000000, -0.0002164500000000 ] - [ 0.0005640500000000, -0.0000197500000000, -0.0004709600000000 ] - [ 0.0001178100000000, -0.0001394900000000, -0.0019413800000000 ] - [ 0.0004063300000000, -0.0001056200000000, -0.0003166800000000 ] - [ 0.0000717200000000, -0.0001161800000000, -0.0011558400000000 ] - [ 0.0007158400000000, -0.0000984700000000, 0.0005981900000000 ] - [ -0.0000574400000000, 0.0001578400000000, 0.0017956700000000 ] - [ 0.0005684400000000, 0.0001916700000000, 0.0007055200000000 ] - [ -0.0017324700000000, 0.0015704300000000, 0.0061260800000000 ] - [ -0.0004480200000000, -0.0002975500000000, 0.0100094900000000 ] - [ -0.0001312700000000, 0.0001439000000000, 0.0000973000000000 ] - [ -0.0006681000000000, -0.0010528100000000, 0.0002225700000000 ] - [ -0.0001475200000000, -0.0000092600000000, 0.0000414100000000 ]- atom: 49 displacement: [ 0.0004367987813524, 0.0000000000000000, -0.0099904557866300 ] forces: - [ -0.0080949200000000, 0.0085718700000000, 0.0112387800000000 ] - [ 0.0001743000000000, -0.0002234000000000, -0.0003892700000000 ] - [ 0.0004806300000000, -0.0019727200000000, -0.0003544600000000 ] - [ 0.0000797800000000, -0.0003093800000000, -0.0003232200000000 ] - [ -0.0001724000000000, -0.0000898800000000, 0.0011404100000000 ] - [ -0.0010445700000000, -0.0005909800000000, 0.0016871600000000 ] - [ -0.0003101600000000, 0.0000006400000000, 0.0009313600000000 ] - [ -0.0006291800000000, -0.0003391200000000, 0.0010617900000000 ] - [ -0.0008605100000000, 0.0006964700000000, -0.0006339100000000 ] - [ 0.0010261300000000, -0.0001134600000000, -0.0016173300000000 ] - [ 0.0000055600000000, 0.0006760100000000, -0.0001620300000000 ] - [ 0.0003103500000000, 0.0007238000000000, -0.0006793200000000 ] - [ -0.0000930600000000, -0.0022751300000000, -0.0007748400000000 ] - [ -0.0000472400000000, 0.0000438500000000, -0.0000766900000000 ] - [ -0.0009430400000000, 0.0034138200000000, 0.0029169300000000 ] - [ -0.0001716800000000, 0.0002890500000000, 0.0001178500000000 ] - [ 0.0317384700000000, -0.0766342500000000, -0.0933912300000000 ] - [ 0.0000872400000000, 0.0005150600000000, -0.0000755700000000 ] - [ 0.0007906900000000, 0.0010793800000000, -0.0011009500000000 ] - [ 0.0000649200000000, 0.0005926200000000, -0.0000048700000000 ] - [ -0.0000974200000000, 0.0004684900000000, -0.0000689200000000 ] - [ -0.0008818000000000, -0.0014509800000000, 0.0012958300000000 ] - [ 0.0001703000000000, 0.0007159800000000, -0.0000958500000000 ] - [ -0.0009430000000000, 0.0045262500000000, 0.0025185100000000 ] - [ -0.0006374200000000, -0.0003557200000000, 0.0001809400000000 ] - [ 0.0012939800000000, 0.0015280300000000, -0.0005606400000000 ] - [ -0.0002032700000000, -0.0005243600000000, -0.0001113800000000 ] - [ 0.0007567500000000, -0.0016457100000000, -0.0014008600000000 ] - [ -0.0014943200000000, -0.0002975300000000, 0.0035466900000000 ] - [ -0.0000795900000000, -0.0005543700000000, 0.0004735300000000 ] - [ -0.0003288800000000, -0.0002687800000000, 0.0012217100000000 ] - [ -0.0000431400000000, -0.0004871000000000, 0.0003965200000000 ] - [ -0.0001899200000000, -0.0006037600000000, -0.0002459600000000 ] - [ 0.0050204100000000, -0.0034066700000000, -0.0039716300000000 ] - [ 0.0001125400000000, -0.0005861800000000, -0.0002407600000000 ] - [ 0.0002908700000000, 0.0003474800000000, -0.0001701000000000 ] - [ -0.0012314200000000, 0.0015567800000000, 0.0204403000000000 ] - [ -0.0000048400000000, -0.0005269000000000, 0.0005307300000000 ] - [ -0.0008064000000000, -0.0019587400000000, 0.0031591800000000 ] - [ -0.0000107800000000, -0.0005374100000000, 0.0004933600000000 ] - [ -0.0003017100000000, 0.0002164300000000, -0.0007602800000000 ] - [ -0.0000327500000000, 0.0004667400000000, 0.0001491700000000 ] - [ 0.0001837900000000, 0.0001911900000000, -0.0016420600000000 ] - [ -0.0000511900000000, 0.0004874400000000, 0.0001293900000000 ] - [ 0.0007452200000000, 0.0005006800000000, -0.0005115100000000 ] - [ -0.0019107000000000, -0.0005467800000000, -0.0017823600000000 ] - [ 0.0004993600000000, 0.0003460600000000, -0.0004438200000000 ] - [ -0.0002613300000000, 0.0007414000000000, -0.0002852400000000 ] - [ -0.0692969300000000, 0.1082373100000000, 0.1348174000000000 ] - [ 0.0000402100000000, 0.0004829500000000, -0.0000200300000000 ] - [ -0.0005904800000000, 0.0001198400000000, 0.0004077100000000 ] - [ 0.0000263400000000, 0.0003687200000000, -0.0000986800000000 ] - [ 0.0000255400000000, 0.0005910400000000, 0.0003849700000000 ] - [ 0.0028692600000000, 0.0035689600000000, 0.0001620900000000 ] - [ 0.0000468000000000, 0.0003436600000000, 0.0003862700000000 ] - [ 0.0004449500000000, -0.0015509100000000, 0.0000544700000000 ] - [ 0.0005393700000000, -0.0005864300000000, 0.0000100900000000 ] - [ -0.0004844800000000, -0.0013537300000000, -0.0001627600000000 ] - [ 0.0004818900000000, -0.0003196200000000, 0.0001070100000000 ] - [ -0.0012768000000000, 0.0011963200000000, -0.0002756800000000 ] - [ -0.0000153400000000, -0.0000417900000000, -0.0030054700000000 ] - [ 0.0000140800000000, -0.0003118700000000, -0.0004920100000000 ] - [ -0.0000860300000000, -0.0004881700000000, -0.0009911600000000 ] - [ -0.0000109600000000, -0.0004012700000000, -0.0004254000000000 ] - [ -0.0048249600000000, -0.0027415700000000, -0.0038798900000000 ] - [ 0.0005956400000000, -0.0002669000000000, 0.0002978000000000 ] - [ -0.0002647200000000, 0.0004802800000000, 0.0014122000000000 ] - [ 0.0002739600000000, -0.0001711200000000, 0.0003332100000000 ] - [ 0.0003206400000000, -0.0000986000000000, 0.0010942000000000 ] - [ 0.0000126300000000, -0.0001388300000000, 0.0010189100000000 ] - [ 0.0000129900000000, -0.0001480400000000, 0.0002625600000000 ] - [ 0.0005893500000000, -0.0008353400000000, 0.0004418800000000 ] - [ 0.0002252600000000, -0.0001729800000000, -0.0011411500000000 ] - [ 0.0001167900000000, -0.0001093600000000, -0.0009555600000000 ] - [ 0.0001058000000000, 0.0001136100000000, -0.0011730000000000 ] - [ 0.0002819500000000, -0.0000881300000000, -0.0012934500000000 ] - [ 0.0039559300000000, 0.0009332900000000, -0.0066205700000000 ] - [ -0.0002310900000000, -0.0000010000000000, 0.0001475900000000 ] - [ 0.0000165500000000, 0.0003595200000000, -0.0004147200000000 ] - [ -0.0000540500000000, 0.0000057000000000, 0.0001713900000000 ] - [ -0.0028223000000000, 0.0032912200000000, -0.0012260800000000 ] - [ 0.0000092700000000, 0.0004266200000000, -0.0000949400000000 ] - [ -0.0003668200000000, -0.0020798600000000, -0.0008144600000000 ] - [ -0.0000812800000000, 0.0001690700000000, -0.0000738500000000 ] - [ 0.0012643300000000, 0.0005632000000000, 0.0009139200000000 ] - [ -0.0001019900000000, 0.0008055700000000, 0.0011653800000000 ] - [ 0.0006218700000000, -0.0001550800000000, 0.0003074300000000 ] - [ 0.0002055800000000, -0.0001351400000000, 0.0003135400000000 ] - [ 0.0001568900000000, -0.0001397900000000, -0.0008125300000000 ] - [ 0.0006217000000000, 0.0000637500000000, -0.0008715200000000 ] - [ 0.0002736300000000, -0.0004725500000000, -0.0003938900000000 ] - [ 0.0004645600000000, -0.0002054100000000, -0.0004452600000000 ] - [ 0.0017465700000000, -0.0075797800000000, -0.0017209900000000 ] - [ -0.0003976200000000, -0.0002755900000000, 0.0001462800000000 ] - [ 0.0006711900000000, 0.0018560300000000, 0.0002068600000000 ] - [ -0.0003864800000000, -0.0001217800000000, 0.0001971800000000 ] - [ 0.0004931400000000, -0.0009978700000000, -0.0038148800000000 ] - [ 0.0002156300000000, -0.0000355700000000, -0.0007003000000000 ] - [ 0.0003833500000000, 0.0003117900000000, -0.0011719700000000 ] - [ 0.0001614100000000, -0.0000300000000000, -0.0006052700000000 ] - [ 0.0005157200000000, -0.0001513100000000, 0.0005272400000000 ] - [ -0.0012281400000000, -0.0002944200000000, 0.0014749200000000 ] - [ 0.0001606400000000, -0.0000944200000000, 0.0005407400000000 ] - [ -0.0003817600000000, -0.0001865000000000, 0.0018502100000000 ] - [ 0.0000049100000000, 0.0002163100000000, -0.0000397800000000 ] - [ 0.0006511500000000, 0.0005054200000000, -0.0009971600000000 ] - [ -0.0001281600000000, 0.0001393000000000, -0.0001006300000000 ] - [ 0.0011100400000000, -0.0005373600000000, -0.0020077700000000 ] - [ 0.0373372000000000, -0.0337543600000000, -0.0433707900000000 ] - [ -0.0000156300000000, 0.0001473600000000, -0.0001563600000000 ] - [ -0.0007199000000000, 0.0001838000000000, 0.0007968200000000 ] - [ 0.0000222700000000, 0.0001282400000000, -0.0002086400000000 ] - [ -0.0016594600000000, -0.0014940900000000, 0.0004200000000000 ] - [ 0.0015906200000000, -0.0007645700000000, 0.0001106500000000 ] - [ -0.0010109100000000, 0.0006229500000000, 0.0002650300000000 ] - [ 0.0007892700000000, 0.0001047300000000, -0.0000752300000000 ] - [ 0.0001615600000000, -0.0000751200000000, 0.0035065900000000 ] - [ -0.0004419000000000, -0.0002658800000000, 0.0006016700000000 ] - [ -0.0001250100000000, 0.0000569000000000, 0.0015110600000000 ] - [ -0.0004671300000000, -0.0001588100000000, 0.0004828000000000 ] - [ -0.0004233000000000, 0.0018131300000000, -0.0021258100000000 ] - [ -0.0004654100000000, 0.0003112300000000, -0.0002109000000000 ] - [ 0.0020625200000000, 0.0004175200000000, -0.0075321800000000 ] - [ -0.0006777100000000, 0.0001214400000000, -0.0003530900000000 ] - [ 0.0022612900000000, -0.0007387300000000, -0.0004097300000000 ] - [ -0.0018204500000000, -0.0005184200000000, 0.0000145400000000 ] - [ 0.0009712200000000, 0.0006969300000000, -0.0003892700000000 ] - [ -0.0004980100000000, 0.0006553000000000, -0.0000740600000000 ] - [ 0.0007566900000000, -0.0035036400000000, 0.0080400600000000 ] - [ -0.0006173200000000, -0.0001426500000000, 0.0000478800000000 ] - [ 0.0006002900000000, 0.0012381100000000, 0.0008327400000000 ] - [ -0.0006068100000000, 0.0000416700000000, 0.0000192900000000 ] - [ 0.0000909700000000, -0.0000873300000000, 0.0006727500000000 ] - [ 0.0005268900000000, 0.0000278300000000, 0.0021511600000000 ] - [ 0.0002468200000000, 0.0000004900000000, 0.0005182500000000 ] - [ 0.0005781200000000, 0.0000135900000000, 0.0013598100000000 ] - [ -0.0000687500000000, 0.0002037300000000, -0.0004014700000000 ] - [ 0.0007600700000000, -0.0000317500000000, -0.0016143900000000 ] - [ 0.0000772100000000, -0.0000828900000000, -0.0005098000000000 ] - [ 0.0023601300000000, -0.0014309700000000, -0.0059114300000000 ] - [ -0.0002173900000000, 0.0007907900000000, -0.0110939800000000 ] - [ -0.0005216300000000, -0.0000377200000000, -0.0002987600000000 ] - [ 0.0000176200000000, 0.0011674800000000, -0.0004400900000000 ] - [ -0.0005057600000000, 0.0001161400000000, -0.0002428600000000 ]- atom: 65 displacement: [ 0.0099996587985401, 0.0000000000000000, -0.0000826069777877 ] forces: - [ 0.0009120500000000, -0.0008723700000000, -0.0006377400000000 ] - [ -0.0004121400000000, -0.0000567700000000, 0.0001704300000000 ] - [ 0.0005508800000000, -0.0005600600000000, -0.0002617300000000 ] - [ -0.0003186400000000, -0.0001297000000000, 0.0000965800000000 ] - [ 0.0018278000000000, -0.0017874700000000, -0.0044291200000000 ] - [ -0.0011284300000000, -0.0004657100000000, 0.0010819800000000 ] - [ 0.0009070100000000, 0.0006836100000000, -0.0008928800000000 ] - [ -0.0006964500000000, -0.0004280700000000, 0.0007913400000000 ] - [ -0.0011068600000000, 0.0009644200000000, 0.0021367500000000 ] - [ -0.0005223700000000, 0.0001572800000000, 0.0003893100000000 ] - [ -0.0005743700000000, -0.0003997500000000, 0.0012928800000000 ] - [ -0.0004112600000000, 0.0004614600000000, 0.0004028400000000 ] - [ 0.0008157800000000, 0.0007443300000000, -0.0009811000000000 ] - [ -0.0004230700000000, 0.0003046600000000, 0.0000945200000000 ] - [ 0.0883994100000000, -0.0474049100000000, -0.0653260200000000 ] - [ -0.0007479100000000, -0.0000176100000000, 0.0002833400000000 ] - [ 0.0023767800000000, -0.0019187700000000, -0.0016587800000000 ] - [ -0.0005296200000000, 0.0008247100000000, 0.0008806500000000 ] - [ 0.0006755300000000, 0.0013412600000000, -0.0004985700000000 ] - [ -0.0003063000000000, 0.0003460200000000, 0.0007326300000000 ] - [ 0.0005541800000000, 0.0027722500000000, -0.0010230000000000 ] - [ -0.0005365600000000, -0.0008778500000000, 0.0009418600000000 ] - [ -0.0028263100000000, -0.0038143400000000, -0.0017690800000000 ] - [ -0.0014376500000000, 0.0016473200000000, 0.0009383700000000 ] - [ -0.0004763100000000, -0.0003710500000000, 0.0006505100000000 ] - [ -0.0002906900000000, -0.0008853500000000, -0.0000077600000000 ] - [ -0.0002815800000000, -0.0007403400000000, 0.0003203200000000 ] - [ -0.0003233600000000, -0.0001473200000000, 0.0000630700000000 ] - [ -0.0077530300000000, 0.0013532400000000, 0.0087342500000000 ] - [ -0.0004481400000000, -0.0006934100000000, -0.0000135500000000 ] - [ 0.0004946000000000, -0.0004087800000000, -0.0002772400000000 ] - [ -0.0001798600000000, -0.0004475200000000, 0.0002165000000000 ] - [ 0.0055935200000000, 0.0007236800000000, 0.0008851000000000 ] - [ 0.0025551300000000, -0.0012444100000000, -0.0003937100000000 ] - [ -0.0001202800000000, -0.0016058500000000, -0.0004907400000000 ] - [ 0.0004976700000000, 0.0001509400000000, -0.0003086500000000 ] - [ -0.0011211300000000, 0.0010901300000000, 0.0012632400000000 ] - [ 0.0005091800000000, -0.0006807000000000, -0.0000379400000000 ] - [ -0.0008897800000000, -0.0014678400000000, 0.0015207500000000 ] - [ 0.0006611300000000, -0.0002178300000000, 0.0000298800000000 ] - [ -0.0006531200000000, 0.0007055400000000, 0.0002598100000000 ] - [ 0.0003839100000000, 0.0004189500000000, 0.0004154500000000 ] - [ 0.0015324200000000, -0.0027973200000000, -0.0032508900000000 ] - [ 0.0004275500000000, 0.0007051100000000, 0.0005729200000000 ] - [ 0.0003083600000000, 0.0006272500000000, -0.0005146200000000 ] - [ 0.0006178800000000, 0.0007126400000000, -0.0005722900000000 ] - [ 0.0001521900000000, 0.0007846300000000, -0.0004596900000000 ] - [ 0.0003086100000000, 0.0002379000000000, -0.0004599200000000 ] - [ 0.0005692700000000, 0.0025335300000000, 0.0045675200000000 ] - [ 0.0008971900000000, 0.0000964400000000, -0.0007916200000000 ] - [ -0.0005685400000000, 0.0000993100000000, 0.0000077500000000 ] - [ 0.0004307500000000, 0.0003270400000000, -0.0004924000000000 ] - [ 0.0029245000000000, -0.0021479200000000, 0.0003677300000000 ] - [ 0.0027786400000000, 0.0031268500000000, -0.0002272300000000 ] - [ 0.0011544000000000, 0.0028184400000000, -0.0000154700000000 ] - [ 0.0011023700000000, -0.0004624600000000, 0.0002809700000000 ] - [ 0.0003298300000000, -0.0008373300000000, 0.0000189400000000 ] - [ 0.0002081400000000, -0.0001601500000000, 0.0001268000000000 ] - [ 0.0002553100000000, -0.0004358300000000, 0.0001351000000000 ] - [ 0.0005465200000000, -0.0007044000000000, -0.0000256300000000 ] - [ 0.0025780900000000, 0.0025561800000000, -0.0041376600000000 ] - [ 0.0005384900000000, -0.0003799000000000, 0.0000143500000000 ] - [ -0.0003213500000000, -0.0008757200000000, -0.0002709000000000 ] - [ 0.0002636100000000, -0.0003587900000000, -0.0001740100000000 ] - [ -0.1059572900000000, 0.0665714500000000, 0.1106366200000000 ] - [ 0.0010955500000000, -0.0001892900000000, 0.0001374100000000 ] - [ -0.0011561900000000, -0.0002397600000000, 0.0006671100000000 ] - [ 0.0007728400000000, -0.0002388400000000, 0.0001662600000000 ] - [ -0.0001933500000000, -0.0018586700000000, -0.0029796000000000 ] - [ 0.0006953600000000, 0.0001103500000000, -0.0001429500000000 ] - [ -0.0001811200000000, 0.0015948100000000, -0.0019430100000000 ] - [ 0.0006949700000000, -0.0001075600000000, -0.0001493100000000 ] - [ -0.0009264600000000, 0.0001820200000000, 0.0001881100000000 ] - [ 0.0006990800000000, -0.0000007800000000, -0.0005298500000000 ] - [ -0.0023552400000000, 0.0015963000000000, 0.0009989100000000 ] - [ 0.0008349300000000, -0.0001367400000000, -0.0006666500000000 ] - [ -0.0010952500000000, 0.0000551100000000, 0.0001017800000000 ] - [ 0.0006191800000000, 0.0002006600000000, 0.0001349500000000 ] - [ -0.0006527400000000, -0.0000905000000000, -0.0002576300000000 ] - [ 0.0005149200000000, 0.0001811800000000, 0.0001421500000000 ] - [ -0.0037899100000000, 0.0002333100000000, 0.0002720500000000 ] - [ 0.0006117500000000, 0.0001299800000000, 0.0001926000000000 ] - [ -0.0159181400000000, -0.0115650600000000, -0.0060620900000000 ] - [ 0.0004778200000000, 0.0003913300000000, 0.0000979500000000 ] - [ 0.0002157700000000, 0.0000957600000000, -0.0024259000000000 ] - [ 0.0010404500000000, 0.0002756700000000, 0.0001033200000000 ] - [ -0.0000123000000000, 0.0008595200000000, -0.0005740300000000 ] - [ 0.0007983100000000, 0.0001286700000000, 0.0000118500000000 ] - [ -0.0000528800000000, -0.0003502700000000, 0.0037455100000000 ] - [ 0.0012043500000000, -0.0000324600000000, -0.0002175000000000 ] - [ -0.0007338100000000, -0.0008705900000000, 0.0002571800000000 ] - [ 0.0009475400000000, -0.0002070800000000, -0.0001027000000000 ] - [ -0.0010617100000000, 0.0001497200000000, -0.0000750800000000 ] - [ 0.0001461200000000, -0.0003454000000000, -0.0000008900000000 ] - [ -0.0010583400000000, -0.0000898200000000, -0.0005194400000000 ] - [ 0.0001772100000000, -0.0002828800000000, 0.0000129900000000 ] - [ 0.0149405500000000, -0.0002033700000000, -0.0464111800000000 ] - [ 0.0009048300000000, 0.0001316000000000, -0.0004271400000000 ] - [ -0.0006574300000000, -0.0007239600000000, 0.0002426700000000 ] - [ 0.0004892400000000, -0.0000323200000000, -0.0004806300000000 ] - [ 0.0007940700000000, -0.0006567400000000, -0.0009144400000000 ] - [ 0.0004050500000000, -0.0000693200000000, 0.0002268800000000 ] - [ 0.0001517400000000, 0.0000792800000000, -0.0003772000000000 ] - [ 0.0004347100000000, -0.0003677900000000, 0.0002095900000000 ] - [ -0.0005185900000000, -0.0011016900000000, 0.0017864900000000 ] - [ 0.0007624700000000, 0.0005268100000000, -0.0005360100000000 ] - [ 0.0007709000000000, 0.0011298600000000, 0.0035439600000000 ] - [ 0.0010902700000000, 0.0000848400000000, -0.0006602600000000 ] - [ -0.0018056400000000, 0.0006241700000000, 0.0009733600000000 ] - [ 0.0006642200000000, -0.0000571600000000, -0.0010016800000000 ] - [ -0.0006694200000000, 0.0000110700000000, 0.0001155300000000 ] - [ 0.0004958600000000, 0.0000492600000000, -0.0008526000000000 ] - [ 0.0013989900000000, -0.0004578300000000, 0.0004424000000000 ] - [ -0.0006924500000000, -0.0002198200000000, -0.0001165400000000 ] - [ 0.0011912500000000, -0.0000610600000000, 0.0002062900000000 ] - [ -0.0004854200000000, -0.0002784300000000, -0.0001337500000000 ] - [ 0.0031893700000000, -0.0017538000000000, 0.0004463800000000 ] - [ -0.0014895400000000, -0.0001944800000000, 0.0000477900000000 ] - [ 0.0018405600000000, 0.0011171900000000, 0.0016305900000000 ] - [ -0.0014024700000000, -0.0002548200000000, 0.0000630200000000 ] - [ 0.0019522700000000, 0.0005898600000000, 0.0004010200000000 ] - [ -0.0014139700000000, 0.0002452900000000, 0.0001731300000000 ] - [ 0.0063466100000000, -0.0006364200000000, 0.0020555600000000 ] - [ -0.0016126200000000, 0.0001827500000000, 0.0001922300000000 ] - [ 0.0068327100000000, -0.0015485600000000, 0.0006136400000000 ] - [ -0.0017384500000000, 0.0000206700000000, -0.0001959700000000 ] - [ 0.0027848200000000, -0.0023967100000000, -0.0015805700000000 ] - [ -0.0011258200000000, 0.0004789400000000, -0.0002370900000000 ] - [ 0.0002210600000000, 0.0000195200000000, 0.0011621500000000 ] - [ -0.0010054800000000, -0.0001104700000000, -0.0002205300000000 ] - [ 0.0001051900000000, -0.0000416800000000, 0.0001560700000000 ] - [ -0.0008892700000000, 0.0000313300000000, -0.0001473700000000 ] - [ -0.0002204300000000, 0.0005618800000000, -0.0008659500000000 ] - [ -0.0007339200000000, -0.0010278500000000, 0.0005814300000000 ] - [ 0.0002432200000000, -0.0007348500000000, -0.0006690100000000 ] - [ -0.0006991300000000, 0.0007529000000000, 0.0004620900000000 ] - [ -0.0002786300000000, 0.0007975700000000, 0.0008223600000000 ] - [ -0.0001479900000000, -0.0004582100000000, -0.0005193900000000 ] - [ -0.0021535700000000, -0.0011290600000000, 0.0024139200000000 ] - [ -0.0013716300000000, 0.0009740700000000, -0.0012044000000000 ] - [ 0.0017447800000000, -0.0049475200000000, -0.0020913200000000 ] - [ -0.0029621900000000, 0.0005231200000000, -0.0000630200000000 ] - [ -0.0005859600000000, 0.0022911100000000, -0.0006252800000000 ] - [ -0.0017297100000000, -0.0004208100000000, -0.0001417800000000 ]- atom: 65 displacement: [ -0.0099996587985401, 0.0000000000000000, 0.0000826069777877 ] forces: - [ -0.0006760900000000, 0.0003929400000000, 0.0001233700000000 ] - [ 0.0006498700000000, -0.0004232800000000, -0.0006837000000000 ] - [ -0.0003127300000000, 0.0000771800000000, -0.0002540600000000 ] - [ 0.0005559800000000, -0.0003491000000000, -0.0006092800000000 ] - [ -0.0020787300000000, 0.0013118400000000, 0.0049704900000000 ] - [ 0.0008956500000000, -0.0000112200000000, -0.0005707600000000 ] - [ -0.0011502900000000, -0.0011757900000000, 0.0014116000000000 ] - [ 0.0004619400000000, -0.0000529300000000, -0.0002795100000000 ] - [ 0.0008747700000000, -0.0004859600000000, -0.0016336500000000 ] - [ 0.0002874700000000, 0.0003215900000000, 0.0001193500000000 ] - [ 0.0003359900000000, 0.0008761100000000, -0.0007789800000000 ] - [ 0.0001770900000000, 0.0000168000000000, 0.0001064400000000 ] - [ -0.0005855500000000, -0.0002734100000000, 0.0004760100000000 ] - [ 0.0006590200000000, 0.0001718800000000, -0.0006070900000000 ] - [ -0.0885154200000000, 0.0465934500000000, 0.0631174300000000 ] - [ 0.0009859400000000, 0.0004994200000000, -0.0007960600000000 ] - [ -0.0021526800000000, 0.0029580200000000, 0.0018881100000000 ] - [ 0.0007512600000000, 0.0002159700000000, -0.0006517800000000 ] - [ -0.0004566100000000, -0.0003018500000000, 0.0007328500000000 ] - [ 0.0005265300000000, 0.0006982200000000, -0.0005027400000000 ] - [ -0.0007754800000000, -0.0017465300000000, 0.0007935800000000 ] - [ 0.0003173800000000, 0.0019053100000000, -0.0011717700000000 ] - [ 0.0026308300000000, 0.0048940700000000, 0.0015577900000000 ] - [ 0.0012195900000000, -0.0005919700000000, -0.0011661000000000 ] - [ 0.0002572700000000, -0.0006719300000000, -0.0008858100000000 ] - [ 0.0000727400000000, -0.0001570000000000, -0.0002286100000000 ] - [ 0.0000605100000000, -0.0003011200000000, -0.0005529600000000 ] - [ 0.0001063600000000, -0.0008958300000000, -0.0002986100000000 ] - [ 0.0079684100000000, -0.0023793900000000, -0.0085869100000000 ] - [ 0.0006689700000000, -0.0003478700000000, 0.0002503600000000 ] - [ -0.0002720100000000, -0.0006421900000000, 0.0005043000000000 ] - [ 0.0003990700000000, -0.0005958600000000, 0.0000174600000000 ] - [ -0.0053150400000000, -0.0017509500000000, -0.0015810600000000 ] - [ -0.0022151800000000, 0.0002118800000000, -0.0002950700000000 ] - [ 0.0004599200000000, 0.0005904900000000, -0.0001919800000000 ] - [ -0.0001738200000000, -0.0011634800000000, -0.0003739900000000 ] - [ 0.0007862600000000, -0.0021100200000000, -0.0005753800000000 ] - [ -0.0008438700000000, -0.0003420400000000, 0.0007247500000000 ] - [ 0.0005491900000000, 0.0004403300000000, -0.0008383400000000 ] - [ -0.0009968700000000, -0.0008089100000000, 0.0006564100000000 ] - [ 0.0003182500000000, 0.0003248600000000, 0.0004269700000000 ] - [ -0.0007180900000000, 0.0006061700000000, 0.0002672200000000 ] - [ -0.0018684700000000, 0.0038169400000000, 0.0039533400000000 ] - [ -0.0007620400000000, 0.0003174800000000, 0.0001083700000000 ] - [ 0.0000256100000000, 0.0003964400000000, -0.0001693300000000 ] - [ -0.0002877600000000, 0.0003109700000000, -0.0001102600000000 ] - [ 0.0001828100000000, 0.0002395600000000, -0.0002249500000000 ] - [ 0.0000214400000000, 0.0007872000000000, -0.0002232300000000 ] - [ -0.0008362700000000, -0.0016713600000000, -0.0050164300000000 ] - [ -0.0011702100000000, 0.0007568400000000, 0.0003152800000000 ] - [ 0.0002978800000000, 0.0007582800000000, -0.0004930700000000 ] - [ -0.0007006100000000, 0.0005250400000000, 0.0000135300000000 ] - [ -0.0026704700000000, 0.0030135800000000, 0.0001121800000000 ] - [ -0.0024870600000000, -0.0022515700000000, 0.0007023000000000 ] - [ -0.0008882700000000, -0.0019851300000000, 0.0004956600000000 ] - [ -0.0008417100000000, 0.0013038300000000, 0.0001948600000000 ] - [ -0.0000599000000000, -0.0000127900000000, 0.0004618400000000 ] - [ 0.0000583600000000, -0.0006901400000000, 0.0003549000000000 ] - [ 0.0000155600000000, -0.0004166100000000, 0.0003450400000000 ] - [ -0.0002812800000000, -0.0001466400000000, 0.0005079100000000 ] - [ -0.0028429700000000, -0.0034180400000000, 0.0036725500000000 ] - [ -0.0008090100000000, -0.0004711700000000, -0.0004966600000000 ] - [ 0.0000462900000000, 0.0000299700000000, -0.0002042400000000 ] - [ -0.0005325100000000, -0.0004923300000000, -0.0003066300000000 ] - [ 0.1066396000000000, -0.0663557200000000, -0.1078783900000000 ] - [ -0.0011067900000000, 0.0000191200000000, 0.0003954500000000 ] - [ 0.0011535700000000, 0.0000789000000000, -0.0001395800000000 ] - [ -0.0007841400000000, 0.0000710300000000, 0.0003670400000000 ] - [ 0.0002057500000000, 0.0016966300000000, 0.0024601200000000 ] - [ -0.0006878600000000, -0.0002794600000000, -0.0003876300000000 ] - [ 0.0002007000000000, -0.0017676200000000, 0.0014130100000000 ] - [ -0.0006881500000000, -0.0000624100000000, -0.0003830000000000 ] - [ 0.0009398500000000, -0.0000099600000000, -0.0007223400000000 ] - [ -0.0006926400000000, 0.0001708700000000, -0.0000031400000000 ] - [ 0.0023793300000000, -0.0014381800000000, -0.0015372200000000 ] - [ -0.0008293200000000, 0.0003053900000000, 0.0001337400000000 ] - [ 0.0010886300000000, 0.0001135300000000, 0.0004338300000000 ] - [ -0.0006301700000000, -0.0000320500000000, 0.0003981500000000 ] - [ 0.0006463100000000, 0.0002652400000000, 0.0007997500000000 ] - [ -0.0005256200000000, -0.0000126100000000, 0.0003907900000000 ] - [ 0.0031089400000000, 0.0002242600000000, -0.0001729200000000 ] - [ -0.0013010900000000, 0.0003420700000000, -0.0000939100000000 ] - [ 0.0150671000000000, 0.0123119500000000, 0.0062973600000000 ] - [ -0.0011671700000000, 0.0000763400000000, 0.0000016900000000 ] - [ 0.0004761000000000, 0.0003709200000000, 0.0023362300000000 ] - [ -0.0003558600000000, 0.0001939600000000, -0.0002028700000000 ] - [ 0.0007005600000000, -0.0003885500000000, 0.0004744900000000 ] - [ -0.0001142300000000, 0.0003419500000000, -0.0001118600000000 ] - [ 0.0007477700000000, -0.0001168400000000, -0.0038642800000000 ] - [ -0.0005206800000000, -0.0004382900000000, 0.0001155000000000 ] - [ 0.0014317600000000, 0.0004116700000000, -0.0003562000000000 ] - [ -0.0002641400000000, -0.0002608200000000, 0.0000013800000000 ] - [ 0.0003769400000000, -0.0006176500000000, 0.0001772200000000 ] - [ -0.0008337100000000, -0.0001232400000000, 0.0001020800000000 ] - [ 0.0003726100000000, -0.0003745100000000, 0.0006102500000000 ] - [ -0.0008649100000000, -0.0001869500000000, 0.0000880600000000 ] - [ -0.0151082000000000, -0.0000195200000000, 0.0453035700000000 ] - [ -0.0009658000000000, -0.0003649700000000, -0.0002419600000000 ] - [ 0.0005982000000000, 0.0005009500000000, -0.0009090100000000 ] - [ -0.0005470300000000, -0.0001993200000000, -0.0001873800000000 ] - [ -0.0007390500000000, 0.0004253300000000, 0.0015852900000000 ] - [ -0.0003501000000000, -0.0001622700000000, 0.0004432000000000 ] - [ -0.0000913100000000, -0.0003134700000000, 0.0010440200000000 ] - [ -0.0003806700000000, 0.0001355700000000, 0.0004604900000000 ] - [ 0.0005790400000000, 0.0013453400000000, -0.0011303900000000 ] - [ -0.0007057300000000, -0.0002916800000000, 0.0011992300000000 ] - [ -0.0007228200000000, -0.0009102300000000, -0.0029113100000000 ] - [ -0.0010365200000000, 0.0001445500000000, 0.0013252100000000 ] - [ 0.0017445000000000, -0.0003927600000000, -0.0016349500000000 ] - [ -0.0007238500000000, 0.0002907700000000, 0.0003378200000000 ] - [ 0.0006110400000000, 0.0002232400000000, -0.0007807100000000 ] - [ -0.0005544800000000, 0.0001837000000000, 0.0001874900000000 ] - [ -0.0008605600000000, -0.0000067100000000, -0.0007479500000000 ] - [ 0.0012418900000000, -0.0002479500000000, -0.0001878200000000 ] - [ -0.0006511400000000, -0.0004108900000000, -0.0005121800000000 ] - [ 0.0010346900000000, -0.0001910400000000, -0.0001700900000000 ] - [ -0.0037447200000000, 0.0012878600000000, -0.0001511300000000 ] - [ 0.0009469300000000, -0.0002748400000000, 0.0002572400000000 ] - [ -0.0023986400000000, -0.0015988800000000, -0.0013694200000000 ] - [ 0.0008599100000000, -0.0002131400000000, 0.0002416400000000 ] - [ -0.0025037100000000, -0.0001281200000000, -0.0000961700000000 ] - [ 0.0008708500000000, 0.0002223000000000, 0.0001292800000000 ] - [ -0.0069042200000000, 0.0011288200000000, -0.0018167000000000 ] - [ 0.0010702700000000, 0.0002873800000000, 0.0001095800000000 ] - [ -0.0065628000000000, 0.0023840500000000, -0.0009974200000000 ] - [ 0.0022842100000000, 0.0004484900000000, -0.0001062100000000 ] - [ -0.0022863600000000, 0.0028633600000000, 0.0012889700000000 ] - [ 0.0016770800000000, -0.0000100800000000, -0.0000658700000000 ] - [ -0.0008707900000000, -0.0001212600000000, -0.0013671600000000 ] - [ 0.0003532400000000, 0.0000048900000000, 0.0000215600000000 ] - [ -0.0007554400000000, -0.0000682800000000, -0.0003583700000000 ] - [ 0.0002366800000000, -0.0001384300000000, -0.0000519000000000 ] - [ 0.0008717400000000, -0.0006710100000000, 0.0010711100000000 ] - [ 0.0013926600000000, 0.0009236200000000, -0.0003806900000000 ] - [ 0.0004034000000000, 0.0006328000000000, 0.0008718900000000 ] - [ 0.0013627100000000, -0.0008605200000000, -0.0002646800000000 ] - [ 0.0009300600000000, -0.0006961400000000, -0.0006276400000000 ] - [ 0.0008025200000000, 0.0005585700000000, 0.0007161800000000 ] - [ 0.0028159900000000, 0.0012456300000000, -0.0022338300000000 ] - [ 0.0020188000000000, -0.0008599700000000, 0.0013968700000000 ] - [ -0.0021299000000000, 0.0052517700000000, 0.0018879400000000 ] - [ 0.0023224300000000, -0.0004218300000000, -0.0001372700000000 ] - [ -0.0000321700000000, -0.0022037400000000, 0.0004514300000000 ] - [ 0.0010809000000000, 0.0005308400000000, -0.0000578100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003461800000000, -0.0006314700000000, -0.0009819800000000 ] - [ 0.0002490600000000, -0.0003143800000000, -0.0004271400000000 ] - [ 0.0003412400000000, 0.0000050800000000, -0.0005802400000000 ] - [ 0.0001741600000000, -0.0002238500000000, -0.0003250500000000 ] - [ -0.0005046300000000, 0.0044876000000000, 0.0008656800000000 ] - [ 0.0001482800000000, 0.0001448400000000, 0.0001454800000000 ] - [ -0.0008343500000000, -0.0031471900000000, 0.0010276900000000 ] - [ -0.0001770500000000, -0.0006520600000000, 0.0003685300000000 ] - [ 0.0015259300000000, 0.0018854200000000, -0.0027775400000000 ] - [ -0.0001707300000000, 0.0003857800000000, 0.0000830000000000 ] - [ -0.0010390200000000, -0.0013181000000000, 0.0019177600000000 ] - [ 0.0001061200000000, -0.0000178800000000, 0.0001571000000000 ] - [ -0.0005878000000000, -0.0065393400000000, -0.0010194500000000 ] - [ 0.0002436700000000, -0.0000935200000000, -0.0003168500000000 ] - [ -0.0462338900000000, 0.1223076100000000, 0.0877171200000000 ] - [ 0.0001956600000000, 0.0005609000000000, -0.0001880500000000 ] - [ 0.0003989100000000, 0.0004398400000000, -0.0019808800000000 ] - [ 0.0003176400000000, 0.0006817500000000, -0.0001397800000000 ] - [ 0.0000023200000000, -0.0012338300000000, 0.0006199500000000 ] - [ 0.0001249900000000, 0.0003564900000000, -0.0000323700000000 ] - [ -0.0006463100000000, -0.0028870600000000, 0.0003878800000000 ] - [ -0.0004482500000000, -0.0018061500000000, 0.0004729500000000 ] - [ -0.0012595600000000, 0.0039566600000000, 0.0015404100000000 ] - [ 0.0006584900000000, 0.0029477900000000, 0.0000105500000000 ] - [ 0.0003618300000000, -0.0005190400000000, -0.0009609100000000 ] - [ -0.0000493900000000, -0.0005312100000000, -0.0005551500000000 ] - [ -0.0004396900000000, -0.0004957600000000, 0.0002506700000000 ] - [ 0.0001257400000000, -0.0005523600000000, -0.0002043900000000 ] - [ 0.0023064600000000, 0.0000975000000000, -0.0018879000000000 ] - [ 0.0001187100000000, -0.0000855800000000, 0.0002536300000000 ] - [ -0.0000221500000000, -0.0021300600000000, 0.0002215700000000 ] - [ 0.0000940100000000, -0.0009107400000000, 0.0002477500000000 ] - [ -0.0019441600000000, -0.0036919000000000, -0.0011957700000000 ] - [ 0.0012501700000000, -0.0027137200000000, -0.0009167600000000 ] - [ 0.0013431500000000, 0.0020511700000000, -0.0000321700000000 ] - [ -0.0008846400000000, 0.0014049300000000, -0.0001638400000000 ] - [ 0.0004530000000000, 0.0002079400000000, 0.0018780000000000 ] - [ -0.0004647200000000, -0.0005714500000000, 0.0005720800000000 ] - [ -0.0013448400000000, 0.0002645700000000, -0.0015065000000000 ] - [ -0.0001481100000000, -0.0005085400000000, 0.0003607700000000 ] - [ 0.0000128200000000, 0.0015224800000000, 0.0003418500000000 ] - [ -0.0003578900000000, 0.0007454000000000, 0.0002632400000000 ] - [ -0.0011172900000000, -0.0009600000000000, 0.0009636000000000 ] - [ -0.0000142600000000, 0.0002149300000000, 0.0002846500000000 ] - [ 0.0000628400000000, 0.0001816100000000, -0.0000976300000000 ] - [ 0.0000567200000000, 0.0003665900000000, -0.0000861100000000 ] - [ 0.0004081600000000, 0.0007085800000000, -0.0003702400000000 ] - [ -0.0000613900000000, 0.0006085900000000, -0.0002465900000000 ] - [ 0.0013634700000000, -0.0009667100000000, 0.0024719700000000 ] - [ -0.0002854800000000, 0.0001997300000000, -0.0000644000000000 ] - [ -0.0002477000000000, 0.0020197400000000, -0.0008019700000000 ] - [ -0.0002885400000000, 0.0007543100000000, -0.0001592400000000 ] - [ -0.0031348000000000, 0.0037578200000000, 0.0000256100000000 ] - [ 0.0027385800000000, 0.0034171500000000, -0.0003988300000000 ] - [ 0.0011292100000000, -0.0011141000000000, 0.0002655100000000 ] - [ -0.0018222300000000, -0.0009128600000000, 0.0000983600000000 ] - [ 0.0000153600000000, -0.0000286200000000, 0.0004952300000000 ] - [ 0.0000079500000000, -0.0002268200000000, 0.0004300600000000 ] - [ 0.0003722400000000, -0.0006909100000000, 0.0002210400000000 ] - [ -0.0001227900000000, -0.0005039000000000, 0.0004025900000000 ] - [ -0.0009073400000000, -0.0020934400000000, 0.0006038800000000 ] - [ -0.0003425800000000, -0.0006715200000000, -0.0003348200000000 ] - [ -0.0007165200000000, 0.0008922000000000, 0.0000044200000000 ] - [ 0.0000519400000000, -0.0001325500000000, -0.0003109700000000 ] - [ 0.0644445900000000, -0.1700184000000000, -0.1117916700000000 ] - [ -0.0001099900000000, -0.0003228200000000, 0.0002029200000000 ] - [ -0.0001598200000000, 0.0038148100000000, 0.0008299100000000 ] - [ -0.0001597400000000, 0.0001528000000000, 0.0003039800000000 ] - [ -0.0016554900000000, 0.0012813500000000, 0.0034663600000000 ] - [ 0.0000280600000000, -0.0001175800000000, -0.0000971900000000 ] - [ 0.0017633400000000, 0.0012817100000000, -0.0027677900000000 ] - [ -0.0001915500000000, -0.0001163600000000, -0.0003271800000000 ] - [ 0.0001006800000000, 0.0010867500000000, -0.0004736000000000 ] - [ -0.0000827600000000, 0.0001920400000000, -0.0003218600000000 ] - [ 0.0015252700000000, -0.0020602500000000, -0.0000798000000000 ] - [ -0.0002178900000000, -0.0000359800000000, -0.0002272400000000 ] - [ 0.0000282900000000, -0.0001881900000000, 0.0005133100000000 ] - [ -0.0001212200000000, 0.0000131900000000, 0.0003339300000000 ] - [ 0.0001870400000000, 0.0007005700000000, 0.0016856900000000 ] - [ -0.0001017300000000, 0.0000866300000000, 0.0003046100000000 ] - [ 0.0007850300000000, 0.0076548700000000, -0.0017869100000000 ] - [ -0.0005535800000000, 0.0004526200000000, -0.0000577400000000 ] - [ -0.0129911100000000, 0.0476352100000000, 0.0356956700000000 ] - [ -0.0004428400000000, 0.0000383400000000, 0.0000051400000000 ] - [ 0.0003070500000000, -0.0016795400000000, 0.0014383200000000 ] - [ 0.0003363100000000, 0.0000002200000000, 0.0000147400000000 ] - [ 0.0006118000000000, 0.0018072600000000, -0.0002785500000000 ] - [ 0.0002520700000000, 0.0005211600000000, 0.0000197800000000 ] - [ -0.0006057700000000, -0.0027570300000000, -0.0031256500000000 ] - [ 0.0001913400000000, -0.0005298200000000, -0.0001701200000000 ] - [ 0.0017596900000000, 0.0021825500000000, 0.0006173600000000 ] - [ 0.0001395300000000, 0.0001023500000000, -0.0001125900000000 ] - [ -0.0002519500000000, 0.0003031100000000, 0.0004718400000000 ] - [ -0.0004259100000000, -0.0001348000000000, 0.0001274600000000 ] - [ -0.0003656400000000, -0.0002197400000000, -0.0003829200000000 ] - [ -0.0004126500000000, -0.0002939700000000, 0.0000840400000000 ] - [ 0.0015170400000000, -0.0141976100000000, -0.0019693700000000 ] - [ -0.0001774100000000, -0.0003097100000000, -0.0004577700000000 ] - [ 0.0007552100000000, 0.0032616500000000, -0.0010610500000000 ] - [ -0.0000677400000000, 0.0000489800000000, -0.0004228700000000 ] - [ -0.0009553700000000, 0.0000878600000000, 0.0019222200000000 ] - [ 0.0000522200000000, -0.0000971500000000, 0.0006436200000000 ] - [ 0.0007351900000000, -0.0002265800000000, -0.0004636400000000 ] - [ -0.0002660000000000, -0.0000693500000000, 0.0004909000000000 ] - [ 0.0002985500000000, 0.0019119000000000, -0.0010716400000000 ] - [ 0.0002585600000000, 0.0006033700000000, -0.0001770800000000 ] - [ 0.0013937700000000, -0.0015701800000000, 0.0003241500000000 ] - [ -0.0003590900000000, -0.0004081300000000, 0.0004099200000000 ] - [ -0.0005674400000000, -0.0000697800000000, 0.0008052700000000 ] - [ -0.0002001900000000, 0.0001087500000000, -0.0000788000000000 ] - [ 0.0000059200000000, 0.0005644500000000, -0.0004957200000000 ] - [ -0.0000854200000000, 0.0001739300000000, -0.0002179800000000 ] - [ -0.0002248100000000, 0.0007589600000000, -0.0006030300000000 ] - [ 0.0004846500000000, -0.0000162400000000, -0.0002830300000000 ] - [ -0.0001372400000000, -0.0011258000000000, -0.0003660800000000 ] - [ 0.0004868100000000, -0.0004330300000000, -0.0002059400000000 ] - [ -0.0014021700000000, -0.0000173700000000, 0.0022831000000000 ] - [ -0.0000437900000000, -0.0002002300000000, 0.0002594500000000 ] - [ -0.0007347100000000, -0.0021995100000000, -0.0059183700000000 ] - [ -0.0001047400000000, -0.0002686300000000, 0.0001925400000000 ] - [ -0.0007579900000000, -0.0022693300000000, -0.0004880900000000 ] - [ -0.0000844500000000, 0.0000110300000000, 0.0000747000000000 ] - [ -0.0006553900000000, 0.0070593200000000, -0.0057633100000000 ] - [ -0.0000999900000000, 0.0004682300000000, 0.0000997300000000 ] - [ -0.0000540700000000, 0.0077731700000000, -0.0008564500000000 ] - [ -0.0000662600000000, 0.0004635700000000, 0.0000354300000000 ] - [ -0.0064229700000000, -0.0054085000000000, 0.0007496500000000 ] - [ 0.0008478000000000, 0.0000098600000000, -0.0001172600000000 ] - [ -0.0001559100000000, 0.0007912300000000, -0.0008660800000000 ] - [ -0.0003006000000000, 0.0002412500000000, -0.0001445700000000 ] - [ -0.0001219200000000, -0.0008423800000000, -0.0003330900000000 ] - [ -0.0003323500000000, -0.0003337400000000, -0.0001203500000000 ] - [ 0.0007249200000000, -0.0002951800000000, 0.0008120300000000 ] - [ 0.0005986400000000, 0.0001455200000000, 0.0003126100000000 ] - [ -0.0005412600000000, -0.0000602000000000, -0.0002169400000000 ] - [ 0.0014244000000000, -0.0001774300000000, -0.0002482200000000 ] - [ 0.0008493000000000, -0.0013199700000000, -0.0004854000000000 ] - [ 0.0001276300000000, -0.0011755500000000, -0.0002088400000000 ] - [ -0.0000159800000000, 0.0015643800000000, -0.0000876400000000 ] - [ 0.0006987800000000, 0.0015714600000000, 0.0004545600000000 ] - [ -0.0055473200000000, 0.0018175300000000, 0.0003400000000000 ] - [ 0.0008338700000000, 0.0004618500000000, -0.0001122000000000 ] - [ 0.0047483300000000, -0.0051064900000000, 0.0026718200000000 ] - [ -0.0004563600000000, -0.0002316600000000, -0.0000621800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001095700000000, 0.0001595100000000, 0.0004643300000000 ] - [ -0.0000112400000000, -0.0001638600000000, -0.0000861500000000 ] - [ -0.0001057200000000, -0.0005043400000000, 0.0000695900000000 ] - [ 0.0000630800000000, -0.0002559400000000, -0.0001871800000000 ] - [ 0.0002631900000000, -0.0049560200000000, -0.0003721200000000 ] - [ -0.0003790900000000, -0.0006225800000000, 0.0003646600000000 ] - [ 0.0005931300000000, 0.0026633400000000, -0.0005034400000000 ] - [ -0.0000597800000000, 0.0001715700000000, 0.0001456600000000 ] - [ -0.0017467800000000, -0.0013846600000000, 0.0032589000000000 ] - [ -0.0000647500000000, 0.0000958000000000, 0.0004262900000000 ] - [ 0.0007990600000000, 0.0017884900000000, -0.0014007300000000 ] - [ -0.0003412200000000, 0.0004942100000000, 0.0003530400000000 ] - [ 0.0008193300000000, 0.0069908600000000, 0.0005022100000000 ] - [ -0.0000067800000000, 0.0005725500000000, -0.0001952300000000 ] - [ 0.0489728200000000, -0.1236853200000000, -0.0930623900000000 ] - [ 0.0000396000000000, -0.0000813200000000, -0.0003231600000000 ] - [ -0.0001920200000000, 0.0006264400000000, 0.0022011800000000 ] - [ -0.0000966900000000, 0.0003643400000000, 0.0003704300000000 ] - [ 0.0002184000000000, 0.0022632300000000, -0.0003894300000000 ] - [ 0.0000954500000000, 0.0006832700000000, 0.0002636900000000 ] - [ 0.0004270700000000, 0.0039087300000000, -0.0006190700000000 ] - [ 0.0002249400000000, 0.0028468100000000, -0.0007007200000000 ] - [ 0.0010164500000000, -0.0029130000000000, -0.0017628700000000 ] - [ -0.0008700600000000, -0.0019075300000000, -0.0002383900000000 ] - [ -0.0005781800000000, -0.0005202500000000, 0.0007215100000000 ] - [ -0.0001690400000000, -0.0005058400000000, 0.0003179400000000 ] - [ 0.0002194100000000, -0.0005487500000000, -0.0004824800000000 ] - [ -0.0003430400000000, -0.0004949200000000, -0.0000310400000000 ] - [ -0.0020114400000000, -0.0011750800000000, 0.0019782800000000 ] - [ 0.0001001900000000, -0.0009545000000000, -0.0000209300000000 ] - [ 0.0002315200000000, 0.0010921300000000, 0.0000293600000000 ] - [ 0.0001265200000000, -0.0001329700000000, -0.0000131300000000 ] - [ 0.0022853400000000, 0.0026432300000000, 0.0005111900000000 ] - [ -0.0009201500000000, 0.0016807500000000, 0.0002268500000000 ] - [ -0.0010106300000000, -0.0030625600000000, -0.0006486500000000 ] - [ 0.0012211200000000, -0.0024265400000000, -0.0005204300000000 ] - [ -0.0007766300000000, -0.0012410000000000, -0.0011809000000000 ] - [ 0.0001280200000000, -0.0004549500000000, 0.0001144200000000 ] - [ 0.0010075400000000, -0.0012738000000000, 0.0021902900000000 ] - [ -0.0001849500000000, -0.0005137200000000, 0.0003238200000000 ] - [ -0.0003421500000000, -0.0005064500000000, 0.0003350400000000 ] - [ 0.0000225900000000, 0.0002792300000000, 0.0004192600000000 ] - [ 0.0007687600000000, 0.0020337800000000, -0.0002384700000000 ] - [ -0.0003184500000000, 0.0008091400000000, 0.0003996900000000 ] - [ 0.0002700900000000, 0.0008388500000000, -0.0005835700000000 ] - [ 0.0002718500000000, 0.0006539900000000, -0.0005937900000000 ] - [ -0.0000753400000000, 0.0003186400000000, -0.0003144700000000 ] - [ 0.0003940700000000, 0.0004195800000000, -0.0004370700000000 ] - [ -0.0016310900000000, 0.0017856700000000, -0.0029563100000000 ] - [ 0.0000157800000000, 0.0006495900000000, -0.0004152900000000 ] - [ -0.0000209400000000, -0.0011593000000000, 0.0003281300000000 ] - [ 0.0000161900000000, 0.0001015500000000, -0.0003194200000000 ] - [ 0.0033680600000000, -0.0028824600000000, 0.0004563400000000 ] - [ -0.0024569400000000, -0.0025550400000000, 0.0008754800000000 ] - [ -0.0008567500000000, 0.0019681100000000, 0.0002116000000000 ] - [ 0.0020886900000000, 0.0017708400000000, 0.0003799000000000 ] - [ 0.0002519700000000, -0.0008218600000000, -0.0000130000000000 ] - [ 0.0002613500000000, -0.0006269700000000, 0.0000524400000000 ] - [ -0.0001023900000000, -0.0001592600000000, 0.0002601600000000 ] - [ 0.0003866800000000, -0.0003433000000000, 0.0000808900000000 ] - [ 0.0006064100000000, 0.0012016300000000, -0.0010317200000000 ] - [ 0.0000724900000000, -0.0001817700000000, -0.0001447000000000 ] - [ 0.0004539700000000, -0.0017396400000000, -0.0004919500000000 ] - [ -0.0003216200000000, -0.0007165000000000, -0.0001695800000000 ] - [ -0.0666282900000000, 0.1716391100000000, 0.1174317800000000 ] - [ 0.0000995700000000, 0.0001530100000000, 0.0003292900000000 ] - [ 0.0001497400000000, -0.0039701800000000, -0.0002890000000000 ] - [ 0.0001495700000000, -0.0003205400000000, 0.0002292600000000 ] - [ 0.0016456400000000, -0.0014390800000000, -0.0039639900000000 ] - [ -0.0000199500000000, -0.0000527600000000, -0.0004335500000000 ] - [ -0.0017508600000000, -0.0014387500000000, 0.0022352000000000 ] - [ 0.0001990200000000, -0.0000516300000000, -0.0002053500000000 ] - [ -0.0000879700000000, -0.0009211700000000, -0.0000664800000000 ] - [ 0.0000897200000000, -0.0000233200000000, -0.0002116300000000 ] - [ -0.0015123800000000, 0.0022318100000000, -0.0004494900000000 ] - [ 0.0002235400000000, 0.0002062800000000, -0.0003042600000000 ] - [ -0.0000341500000000, 0.0003519700000000, 0.0000253100000000 ] - [ 0.0001103300000000, 0.0001549200000000, 0.0002000200000000 ] - [ -0.0001922700000000, -0.0005234700000000, -0.0011632400000000 ] - [ 0.0000914500000000, 0.0000831300000000, 0.0002286600000000 ] - [ -0.0014576100000000, -0.0071339800000000, 0.0018639600000000 ] - [ -0.0001352600000000, 0.0000166800000000, 0.0001574600000000 ] - [ 0.0125504100000000, -0.0478268700000000, -0.0362754100000000 ] - [ -0.0002447500000000, 0.0004325700000000, 0.0000947000000000 ] - [ 0.0003793200000000, 0.0021262100000000, -0.0015297700000000 ] - [ 0.0003481300000000, 0.0004681700000000, -0.0001145700000000 ] - [ 0.0000748900000000, -0.0013279200000000, 0.0001787100000000 ] - [ 0.0004336600000000, -0.0000487600000000, -0.0001189900000000 ] - [ 0.0013001500000000, 0.0022641400000000, 0.0030191800000000 ] - [ 0.0004909400000000, 0.0000585600000000, 0.0000688500000000 ] - [ -0.0010750200000000, -0.0026466200000000, -0.0007222200000000 ] - [ 0.0005457100000000, -0.0005691600000000, 0.0000107700000000 ] - [ -0.0004325200000000, -0.0007764400000000, -0.0003665600000000 ] - [ -0.0002615400000000, -0.0003349300000000, -0.0000261200000000 ] - [ -0.0003201800000000, -0.0002310000000000, 0.0004622500000000 ] - [ -0.0002747500000000, -0.0001747400000000, 0.0000170300000000 ] - [ -0.0018993700000000, 0.0139732400000000, 0.0018056800000000 ] - [ 0.0001199200000000, 0.0000766600000000, -0.0002094100000000 ] - [ -0.0007996000000000, -0.0034871100000000, 0.0003810100000000 ] - [ 0.0000090900000000, -0.0002806900000000, -0.0002447300000000 ] - [ 0.0010050000000000, -0.0003219300000000, -0.0012412100000000 ] - [ 0.0000039300000000, -0.0001366400000000, 0.0000272300000000 ] - [ -0.0006771200000000, -0.0000041600000000, 0.0011304900000000 ] - [ 0.0003203700000000, -0.0001611400000000, 0.0001790400000000 ] - [ -0.0002432400000000, -0.0016688600000000, 0.0017268200000000 ] - [ -0.0001995400000000, -0.0003702700000000, 0.0008385100000000 ] - [ -0.0013216600000000, 0.0018038700000000, 0.0003494900000000 ] - [ 0.0004119400000000, 0.0006409800000000, 0.0002556700000000 ] - [ 0.0005130700000000, 0.0002966400000000, -0.0014683100000000 ] - [ 0.0001414000000000, 0.0001240200000000, -0.0005860700000000 ] - [ -0.0000641200000000, -0.0003248400000000, -0.0001695600000000 ] - [ 0.0000269300000000, 0.0000607900000000, -0.0004475400000000 ] - [ 0.0007631700000000, -0.0012232500000000, 0.0002958000000000 ] - [ 0.0000650100000000, -0.0004518300000000, -0.0000220200000000 ] - [ 0.0006812100000000, 0.0006547500000000, 0.0000628800000000 ] - [ 0.0000609500000000, -0.0000358100000000, -0.0000979700000000 ] - [ 0.0008372800000000, -0.0004196500000000, -0.0019685800000000 ] - [ -0.0004989700000000, -0.0002663700000000, 0.0000449500000000 ] - [ 0.0001785500000000, 0.0017094800000000, 0.0062347300000000 ] - [ -0.0004389800000000, -0.0002017500000000, 0.0001115000000000 ] - [ 0.0002057900000000, 0.0027254700000000, 0.0007782300000000 ] - [ -0.0004592600000000, 0.0004574400000000, 0.0002279300000000 ] - [ 0.0000994200000000, -0.0065216300000000, 0.0061312100000000 ] - [ -0.0004440400000000, 0.0000014500000000, 0.0002038100000000 ] - [ 0.0002276200000000, -0.0068763200000000, 0.0004691400000000 ] - [ 0.0006122800000000, 0.0000099500000000, -0.0003367200000000 ] - [ 0.0069832500000000, 0.0058667400000000, -0.0010596500000000 ] - [ -0.0003009600000000, 0.0004556600000000, -0.0001850600000000 ] - [ -0.0004942400000000, -0.0008945100000000, 0.0006529900000000 ] - [ -0.0003507400000000, -0.0003460900000000, -0.0000555100000000 ] - [ -0.0005322300000000, 0.0007350100000000, 0.0001343500000000 ] - [ -0.0003182800000000, 0.0002262200000000, -0.0000785600000000 ] - [ -0.0000712500000000, 0.0001945200000000, -0.0006062700000000 ] - [ 0.0000628000000000, -0.0002376300000000, -0.0001127300000000 ] - [ 0.0011931400000000, -0.0000529200000000, 0.0004154400000000 ] - [ -0.0007663500000000, 0.0000598400000000, 0.0004491500000000 ] - [ -0.0001897500000000, 0.0014186500000000, 0.0006773300000000 ] - [ 0.0005202100000000, 0.0012801100000000, 0.0004040400000000 ] - [ 0.0006589100000000, -0.0014542000000000, 0.0002925100000000 ] - [ -0.0000398600000000, -0.0014652300000000, -0.0002518500000000 ] - [ 0.0050428300000000, -0.0015400500000000, -0.0005266300000000 ] - [ -0.0014778600000000, -0.0003465500000000, -0.0000864700000000 ] - [ -0.0054151500000000, 0.0052056000000000, -0.0028850700000000 ] - [ -0.0001934700000000, 0.0003332400000000, -0.0001365700000000 ]- atom: 65 displacement: [ -0.0004367987813524, 0.0000000000000000, 0.0099904557866300 ] forces: - [ 0.0016746900000000, -0.0010379000000000, -0.0031405500000000 ] - [ 0.0003461900000000, -0.0002745400000000, -0.0006261600000000 ] - [ 0.0005231900000000, 0.0036481100000000, -0.0017998100000000 ] - [ 0.0003162000000000, -0.0002293900000000, -0.0005697700000000 ] - [ -0.0020563700000000, -0.0014279700000000, -0.0007894400000000 ] - [ 0.0005840200000000, -0.0001534600000000, -0.0001779300000000 ] - [ -0.0004489800000000, -0.0012744800000000, 0.0004988700000000 ] - [ 0.0000364000000000, -0.0003998500000000, 0.0001325000000000 ] - [ 0.0013255400000000, -0.0029236500000000, -0.0014613200000000 ] - [ -0.0004192900000000, -0.0000718600000000, 0.0003418300000000 ] - [ 0.0010020500000000, 0.0015612100000000, -0.0018263300000000 ] - [ -0.0002394400000000, 0.0002514800000000, 0.0003107300000000 ] - [ -0.0005020700000000, -0.0001054300000000, 0.0006977900000000 ] - [ 0.0001105900000000, 0.0002248300000000, -0.0001189800000000 ] - [ -0.0641487300000000, 0.0887060500000000, 0.1717966200000000 ] - [ 0.0001659200000000, 0.0003442500000000, -0.0000619500000000 ] - [ 0.0010766400000000, -0.0048385100000000, -0.0023617000000000 ] - [ 0.0004198000000000, 0.0003192900000000, -0.0001973700000000 ] - [ -0.0000499800000000, 0.0035764800000000, -0.0004988000000000 ] - [ 0.0002990600000000, 0.0006344000000000, -0.0001639600000000 ] - [ -0.0004676700000000, 0.0000794100000000, 0.0005427500000000 ] - [ -0.0002199000000000, 0.0000205200000000, 0.0002774200000000 ] - [ -0.0016175000000000, 0.0017321700000000, 0.0031960000000000 ] - [ 0.0008532400000000, 0.0008480700000000, 0.0009262400000000 ] - [ 0.0008342700000000, -0.0005164000000000, -0.0017244800000000 ] - [ -0.0000244400000000, -0.0004255000000000, -0.0010269800000000 ] - [ 0.0006888100000000, -0.0003836400000000, -0.0014756500000000 ] - [ 0.0000406300000000, -0.0005732000000000, -0.0008688700000000 ] - [ 0.0082096100000000, -0.0020092000000000, -0.0172819900000000 ] - [ -0.0000081900000000, -0.0004728400000000, 0.0002769700000000 ] - [ 0.0001882300000000, -0.0008772900000000, 0.0000639700000000 ] - [ 0.0000984100000000, -0.0005576400000000, 0.0001969300000000 ] - [ -0.0006888400000000, -0.0012321800000000, -0.0024145900000000 ] - [ -0.0001627200000000, -0.0011114900000000, -0.0019900800000000 ] - [ 0.0006994500000000, -0.0000466000000000, -0.0008287800000000 ] - [ -0.0004063200000000, 0.0000827400000000, -0.0006831200000000 ] - [ 0.0004149200000000, 0.0020689500000000, -0.0003658400000000 ] - [ -0.0004798600000000, -0.0004444700000000, 0.0002852300000000 ] - [ 0.0027680600000000, -0.0045101200000000, -0.0000080200000000 ] - [ -0.0006059500000000, -0.0007493400000000, 0.0003032900000000 ] - [ -0.0003372000000000, 0.0002012600000000, 0.0008348200000000 ] - [ -0.0001098600000000, 0.0004386100000000, 0.0004197700000000 ] - [ -0.0026722500000000, 0.0050558200000000, 0.0072091000000000 ] - [ -0.0000271300000000, 0.0004445600000000, 0.0004608200000000 ] - [ -0.0001956800000000, 0.0003378900000000, 0.0006913700000000 ] - [ 0.0000397300000000, 0.0003343600000000, 0.0006799900000000 ] - [ -0.0000675300000000, 0.0002929100000000, 0.0003974900000000 ] - [ 0.0001469800000000, 0.0005537100000000, 0.0002532100000000 ] - [ 0.0063439600000000, 0.0046466800000000, 0.0039700400000000 ] - [ -0.0007675500000000, 0.0006800400000000, -0.0002737900000000 ] - [ 0.0003946600000000, -0.0008103200000000, -0.0013666500000000 ] - [ -0.0004615600000000, 0.0005248200000000, -0.0003090900000000 ] - [ 0.0001627100000000, 0.0008059100000000, -0.0002876100000000 ] - [ 0.0005414400000000, 0.0008946400000000, -0.0004210600000000 ] - [ 0.0004862400000000, 0.0002127800000000, -0.0010947200000000 ] - [ -0.0007539100000000, 0.0002006300000000, -0.0010802500000000 ] - [ -0.0002687200000000, -0.0000683700000000, 0.0011077100000000 ] - [ 0.0001506600000000, -0.0004468200000000, 0.0009329600000000 ] - [ -0.0001739800000000, -0.0002493500000000, 0.0011383600000000 ] - [ -0.0000107300000000, -0.0002836400000000, 0.0012702200000000 ] - [ -0.0039876000000000, -0.0053773200000000, 0.0066418600000000 ] - [ 0.0000488600000000, -0.0004119300000000, -0.0001229300000000 ] - [ -0.0005318800000000, 0.0003135600000000, 0.0004244400000000 ] - [ -0.0000099300000000, -0.0002933400000000, -0.0001416700000000 ] - [ 0.1085893600000000, -0.1135018400000000, -0.2645019600000000 ] - [ -0.0001837800000000, -0.0001425500000000, -0.0000438800000000 ] - [ 0.0004364100000000, 0.0004771400000000, -0.0012815300000000 ] - [ -0.0001406600000000, -0.0000407300000000, 0.0000300100000000 ] - [ -0.0016663100000000, 0.0025014800000000, -0.0002355800000000 ] - [ 0.0000888200000000, -0.0000314300000000, -0.0005439000000000 ] - [ -0.0027146200000000, -0.0038801400000000, -0.0002782900000000 ] - [ 0.0000949800000000, -0.0002518200000000, -0.0005429400000000 ] - [ 0.0005034800000000, -0.0001216800000000, 0.0003465100000000 ] - [ -0.0002874100000000, 0.0000338700000000, -0.0000390000000000 ] - [ 0.0013867000000000, 0.0002043800000000, 0.0016023500000000 ] - [ -0.0004277700000000, 0.0001329400000000, 0.0001492200000000 ] - [ -0.0001017900000000, -0.0001554400000000, 0.0030152900000000 ] - [ -0.0001599100000000, 0.0000128600000000, 0.0006065200000000 ] - [ -0.0004856500000000, -0.0013399700000000, 0.0030310600000000 ] - [ -0.0001486100000000, 0.0000423400000000, 0.0005634500000000 ] - [ -0.0000439400000000, -0.0005048500000000, -0.0015145400000000 ] - [ -0.0005041800000000, 0.0002555000000000, -0.0001051600000000 ] - [ -0.0063713700000000, 0.0351794900000000, 0.0016632500000000 ] - [ -0.0005197400000000, 0.0001907100000000, -0.0001068500000000 ] - [ -0.0028353100000000, 0.0025326200000000, 0.0025069800000000 ] - [ 0.0007442700000000, 0.0003898800000000, 0.0001290600000000 ] - [ 0.0000809800000000, -0.0008455100000000, 0.0006502000000000 ] - [ 0.0004233400000000, 0.0002883800000000, 0.0000413300000000 ] - [ 0.0028452200000000, -0.0011723600000000, 0.0011793100000000 ] - [ -0.0002216600000000, -0.0003687100000000, -0.0001446600000000 ] - [ 0.0012972300000000, 0.0008009100000000, 0.0000760100000000 ] - [ -0.0000062400000000, -0.0000006000000000, -0.0001757700000000 ] - [ -0.0004942600000000, 0.0003444700000000, 0.0010108500000000 ] - [ -0.0004472900000000, -0.0001974200000000, 0.0001983300000000 ] - [ 0.0006663400000000, -0.0035848100000000, 0.0068313700000000 ] - [ -0.0004476900000000, -0.0002469200000000, 0.0002102800000000 ] - [ -0.0455141300000000, -0.0002693600000000, 0.0556459900000000 ] - [ -0.0001150100000000, -0.0001503200000000, -0.0005435200000000 ] - [ 0.0000672900000000, 0.0007464100000000, -0.0007632100000000 ] - [ -0.0000530700000000, -0.0001003100000000, -0.0004656600000000 ] - [ -0.0013732600000000, 0.0011126700000000, 0.0023156400000000 ] - [ 0.0001135700000000, -0.0000534100000000, 0.0008912600000000 ] - [ -0.0010066800000000, -0.0001959700000000, 0.0017166600000000 ] - [ 0.0000720000000000, -0.0001862000000000, 0.0008819500000000 ] - [ 0.0004938800000000, 0.0005489700000000, -0.0003776800000000 ] - [ -0.0000465500000000, 0.0001435200000000, 0.0000624500000000 ] - [ 0.0023170100000000, 0.0003444300000000, -0.0007572000000000 ] - [ -0.0005813800000000, -0.0000305700000000, 0.0000279100000000 ] - [ -0.0008468600000000, 0.0017999700000000, 0.0028627700000000 ] - [ -0.0002634500000000, 0.0002019300000000, 0.0000440900000000 ] - [ 0.0000857700000000, -0.0009228100000000, 0.0004048800000000 ] - [ -0.0002195100000000, 0.0001427100000000, -0.0000268900000000 ] - [ 0.0009707600000000, -0.0001385900000000, -0.0036828500000000 ] - [ 0.0004260900000000, -0.0001426900000000, -0.0008050600000000 ] - [ 0.0002896900000000, -0.0002458900000000, -0.0014549100000000 ] - [ 0.0003922300000000, -0.0002546100000000, -0.0005718000000000 ] - [ -0.0019043000000000, 0.0033514700000000, -0.0025169400000000 ] - [ 0.0000258900000000, -0.0001778400000000, 0.0000415400000000 ] - [ -0.0016918800000000, -0.0034711300000000, -0.0049345300000000 ] - [ 0.0000201900000000, -0.0003189700000000, 0.0000399900000000 ] - [ -0.0005577100000000, -0.0009634200000000, 0.0007093100000000 ] - [ -0.0000964900000000, 0.0001635900000000, 0.0002649000000000 ] - [ -0.0005095000000000, -0.0017799400000000, 0.0189690600000000 ] - [ -0.0000837600000000, 0.0002990800000000, 0.0002895100000000 ] - [ 0.0015635200000000, -0.0016543100000000, 0.0069168900000000 ] - [ 0.0005813700000000, 0.0004522700000000, 0.0004462700000000 ] - [ -0.0028071100000000, -0.0003529400000000, 0.0035352900000000 ] - [ 0.0007558400000000, 0.0001040000000000, 0.0003254700000000 ] - [ -0.0013293500000000, -0.0001870000000000, -0.0048321000000000 ] - [ -0.0000688200000000, -0.0000001800000000, -0.0006025300000000 ] - [ -0.0008125900000000, -0.0000238100000000, -0.0016248100000000 ] - [ -0.0000867400000000, -0.0001091300000000, -0.0004690900000000 ] - [ -0.0004833600000000, 0.0004232700000000, -0.0006051800000000 ] - [ 0.0020482000000000, 0.0012949600000000, -0.0005513400000000 ] - [ -0.0005942300000000, -0.0004729400000000, -0.0007277200000000 ] - [ 0.0022189000000000, -0.0010958200000000, -0.0007042500000000 ] - [ 0.0013284600000000, -0.0004690700000000, 0.0007181400000000 ] - [ -0.0005666600000000, -0.0004656400000000, 0.0006024200000000 ] - [ 0.0034156900000000, 0.0008242100000000, 0.0004299600000000 ] - [ -0.0025894100000000, 0.0011915800000000, 0.0009521000000000 ] - [ -0.0019273400000000, 0.0002867200000000, 0.0099860700000000 ] - [ 0.0000670000000000, -0.0000457500000000, 0.0004038000000000 ] - [ 0.0020779400000000, -0.0017082200000000, 0.0041308500000000 ] - [ -0.0002204500000000, 0.0001067800000000, 0.0003556700000000 ]- atom: 65 displacement: [ 0.0004367987813524, 0.0000000000000000, -0.0099904557866300 ] forces: - [ -0.0014331100000000, 0.0005482900000000, 0.0026220100000000 ] - [ -0.0001101100000000, -0.0002045800000000, 0.0001147000000000 ] - [ -0.0002849700000000, -0.0040809700000000, 0.0012797600000000 ] - [ -0.0000801200000000, -0.0002488300000000, 0.0000580100000000 ] - [ 0.0018321100000000, 0.0009439200000000, 0.0012821700000000 ] - [ -0.0008200100000000, -0.0003259800000000, 0.0006871900000000 ] - [ 0.0002175300000000, 0.0007946200000000, 0.0000036300000000 ] - [ -0.0002682800000000, -0.0000767900000000, 0.0003744200000000 ] - [ -0.0015582100000000, 0.0033644900000000, 0.0019759400000000 ] - [ 0.0001792400000000, 0.0005486700000000, 0.0001738600000000 ] - [ -0.0012321600000000, -0.0010698400000000, 0.0023294400000000 ] - [ -0.0000004600000000, 0.0002295300000000, 0.0002038400000000 ] - [ 0.0007386600000000, 0.0006141200000000, -0.0012028700000000 ] - [ 0.0001233500000000, 0.0002556200000000, -0.0003928500000000 ] - [ 0.0693633500000000, -0.0956011200000000, -0.1797802600000000 ] - [ 0.0000674800000000, 0.0001338700000000, -0.0004500400000000 ] - [ -0.0008707000000000, 0.0058561900000000, 0.0026059300000000 ] - [ -0.0002003500000000, 0.0007214000000000, 0.0004315900000000 ] - [ 0.0002613200000000, -0.0025138500000000, 0.0007351600000000 ] - [ -0.0000798700000000, 0.0004093400000000, 0.0003976100000000 ] - [ 0.0002504300000000, 0.0009761700000000, -0.0007787800000000 ] - [ 0.0000040500000000, 0.0010369600000000, -0.0005214600000000 ] - [ 0.0013830500000000, -0.0007045500000000, -0.0034285900000000 ] - [ -0.0010754300000000, 0.0001892000000000, -0.0011753200000000 ] - [ -0.0010494800000000, -0.0005286200000000, 0.0014859100000000 ] - [ -0.0001978400000000, -0.0006213900000000, 0.0007969600000000 ] - [ -0.0009029200000000, -0.0006567600000000, 0.0012347000000000 ] - [ -0.0002641100000000, -0.0004646800000000, 0.0006380800000000 ] - [ -0.0079403400000000, 0.0009799700000000, 0.0175354700000000 ] - [ 0.0002266500000000, -0.0005702200000000, -0.0000463500000000 ] - [ 0.0000384400000000, -0.0001664400000000, 0.0001544800000000 ] - [ 0.0001206900000000, -0.0004844000000000, 0.0000339700000000 ] - [ 0.0010417600000000, 0.0002170700000000, 0.0017239300000000 ] - [ 0.0004824700000000, 0.0000998100000000, 0.0013122000000000 ] - [ -0.0003652300000000, -0.0009838200000000, 0.0001402000000000 ] - [ 0.0007387200000000, -0.0011161100000000, -0.0000029600000000 ] - [ -0.0007451000000000, -0.0030842700000000, 0.0010303200000000 ] - [ 0.0001466100000000, -0.0005790900000000, 0.0003958100000000 ] - [ -0.0030739900000000, 0.0034652700000000, 0.0006749900000000 ] - [ 0.0002710700000000, -0.0002763700000000, 0.0003790200000000 ] - [ 0.0000010500000000, 0.0008274300000000, -0.0001433800000000 ] - [ -0.0002225000000000, 0.0005857300000000, 0.0002658200000000 ] - [ 0.0023367500000000, -0.0040636000000000, -0.0065451200000000 ] - [ -0.0003050200000000, 0.0005804700000000, 0.0002250800000000 ] - [ 0.0005240800000000, 0.0006887500000000, -0.0013714400000000 ] - [ 0.0002991900000000, 0.0006939800000000, -0.0013655000000000 ] - [ 0.0003978200000000, 0.0007295300000000, -0.0010777500000000 ] - [ 0.0001880600000000, 0.0004681500000000, -0.0009369600000000 ] - [ -0.0065541000000000, -0.0037737500000000, -0.0044566100000000 ] - [ 0.0004961000000000, 0.0001732100000000, -0.0002100600000000 ] - [ -0.0006600500000000, 0.0016490800000000, 0.0008777600000000 ] - [ 0.0001918600000000, 0.0003262300000000, -0.0001735200000000 ] - [ 0.0001290300000000, 0.0000286300000000, 0.0007636600000000 ] - [ -0.0003030100000000, -0.0000728800000000, 0.0009059400000000 ] - [ -0.0002129100000000, 0.0006460700000000, 0.0015671100000000 ] - [ 0.0010186500000000, 0.0006534500000000, 0.0015596500000000 ] - [ 0.0005349100000000, -0.0007812600000000, -0.0006237500000000 ] - [ 0.0001199900000000, -0.0004030700000000, -0.0004527900000000 ] - [ 0.0004385800000000, -0.0006023100000000, -0.0006536200000000 ] - [ 0.0002868400000000, -0.0005716500000000, -0.0007900000000000 ] - [ 0.0037271000000000, 0.0045593700000000, -0.0071548000000000 ] - [ -0.0003168000000000, -0.0004395500000000, -0.0003543100000000 ] - [ 0.0002582200000000, -0.0011680400000000, -0.0008962900000000 ] - [ -0.0002584700000000, -0.0005584600000000, -0.0003362800000000 ] - [ -0.1146696600000000, 0.1212888700000000, 0.2717429900000000 ] - [ 0.0001750700000000, -0.0000252800000000, 0.0005750100000000 ] - [ -0.0004450400000000, -0.0006544900000000, 0.0018019300000000 ] - [ 0.0001317500000000, -0.0001288000000000, 0.0005012100000000 ] - [ 0.0016692800000000, -0.0026502300000000, -0.0003199800000000 ] - [ -0.0000795800000000, -0.0001359900000000, 0.0000063200000000 ] - [ 0.0027029700000000, 0.0036874500000000, -0.0002716200000000 ] - [ -0.0000843500000000, 0.0000824300000000, 0.0000067600000000 ] - [ -0.0004976800000000, 0.0002932000000000, -0.0008704900000000 ] - [ 0.0002959300000000, 0.0001362900000000, -0.0004902100000000 ] - [ -0.0013844400000000, -0.0000324800000000, -0.0021185500000000 ] - [ 0.0004377000000000, 0.0000366000000000, -0.0006796500000000 ] - [ 0.0000892500000000, 0.0003295000000000, -0.0024759600000000 ] - [ 0.0001519200000000, 0.0001568700000000, -0.0000729800000000 ] - [ 0.0004686200000000, 0.0014900100000000, -0.0024781100000000 ] - [ 0.0001403000000000, 0.0001266900000000, -0.0000298900000000 ] - [ -0.0006430100000000, 0.0009371400000000, 0.0016296400000000 ] - [ -0.0001813200000000, 0.0002135500000000, 0.0002061800000000 ] - [ 0.0057140100000000, -0.0347346900000000, -0.0013090200000000 ] - [ -0.0001658400000000, 0.0002797800000000, 0.0002074500000000 ] - [ 0.0034910700000000, -0.0020335700000000, -0.0025959900000000 ] - [ -0.0000559500000000, 0.0000818800000000, -0.0002314800000000 ] - [ 0.0006031500000000, 0.0013066900000000, -0.0007500600000000 ] - [ 0.0002634300000000, 0.0001802100000000, -0.0001436800000000 ] - [ -0.0021637900000000, 0.0007091600000000, -0.0012677100000000 ] - [ 0.0009096300000000, -0.0001005100000000, 0.0000467900000000 ] - [ -0.0006095700000000, -0.0012689000000000, -0.0001712400000000 ] - [ 0.0006926900000000, -0.0004720000000000, 0.0000774500000000 ] - [ -0.0001935100000000, -0.0008080200000000, -0.0009104800000000 ] - [ -0.0002385900000000, -0.0002728800000000, -0.0000984400000000 ] - [ -0.0013447700000000, 0.0030753000000000, -0.0066566900000000 ] - [ -0.0002379500000000, -0.0002237400000000, -0.0001102300000000 ] - [ 0.0464018400000000, -0.0000114000000000, -0.0571623600000000 ] - [ 0.0000594000000000, -0.0000817800000000, -0.0001223500000000 ] - [ -0.0001337500000000, -0.0009865600000000, 0.0001055800000000 ] - [ -0.0000034800000000, -0.0001327700000000, -0.0002004000000000 ] - [ 0.0014249500000000, -0.0013362800000000, -0.0016445700000000 ] - [ -0.0000538600000000, -0.0001783100000000, -0.0002282100000000 ] - [ 0.0010562500000000, -0.0000394700000000, -0.0010452000000000 ] - [ -0.0000112900000000, -0.0000485100000000, -0.0002183300000000 ] - [ -0.0004366900000000, -0.0003203700000000, 0.0010513500000000 ] - [ 0.0000989700000000, 0.0000862100000000, 0.0006138900000000 ] - [ -0.0022540200000000, -0.0001108600000000, 0.0014353200000000 ] - [ 0.0006390600000000, 0.0002640600000000, 0.0006465000000000 ] - [ 0.0007965200000000, -0.0015526400000000, -0.0035295100000000 ] - [ 0.0002064600000000, 0.0000313800000000, -0.0007127500000000 ] - [ -0.0001373600000000, 0.0011443900000000, -0.0010758200000000 ] - [ 0.0001624900000000, 0.0000901400000000, -0.0006414200000000 ] - [ -0.0004076200000000, -0.0003334500000000, 0.0033568700000000 ] - [ 0.0001147300000000, -0.0003264100000000, 0.0005007800000000 ] - [ 0.0002601900000000, -0.0002209600000000, 0.0011453300000000 ] - [ 0.0001507700000000, -0.0002137900000000, 0.0002672800000000 ] - [ 0.0013705400000000, -0.0038345400000000, 0.0028014600000000 ] - [ -0.0005739000000000, -0.0002915100000000, 0.0002590000000000 ] - [ 0.0011527100000000, 0.0030051000000000, 0.0052055600000000 ] - [ -0.0005682700000000, -0.0001495400000000, 0.0002609800000000 ] - [ 0.0000107500000000, 0.0014333700000000, -0.0003936500000000 ] - [ -0.0004499600000000, 0.0003055300000000, 0.0000408000000000 ] - [ -0.0000203200000000, 0.0018001800000000, -0.0173439100000000 ] - [ -0.0004629900000000, 0.0001691800000000, 0.0000160700000000 ] - [ -0.0010497200000000, 0.0021189100000000, -0.0071652100000000 ] - [ -0.0000301300000000, 0.0000144400000000, -0.0007504500000000 ] - [ 0.0033322200000000, 0.0007993700000000, -0.0038222100000000 ] - [ -0.0002088400000000, 0.0003660000000000, -0.0006284500000000 ] - [ 0.0006642200000000, 0.0000745600000000, 0.0046250300000000 ] - [ -0.0005812600000000, -0.0001065100000000, 0.0004000700000000 ] - [ 0.0001568100000000, -0.0000798000000000, 0.0014193400000000 ] - [ -0.0005641800000000, 0.0000029600000000, 0.0002673700000000 ] - [ 0.0011327300000000, -0.0005292400000000, 0.0007948500000000 ] - [ -0.0014025500000000, -0.0014095700000000, 0.0007444200000000 ] - [ 0.0012439200000000, 0.0003653800000000, 0.0009181500000000 ] - [ -0.0015722300000000, 0.0009957900000000, 0.0008982700000000 ] - [ -0.0006727500000000, 0.0005765700000000, -0.0005086700000000 ] - [ 0.0012167800000000, 0.0005756900000000, -0.0003937700000000 ] - [ -0.0027442000000000, -0.0007156100000000, -0.0002168900000000 ] - [ 0.0032344400000000, -0.0010879100000000, -0.0007396600000000 ] - [ 0.0013375900000000, -0.0001454400000000, -0.0101733000000000 ] - [ -0.0007275000000000, 0.0001512100000000, -0.0005997600000000 ] - [ -0.0027134600000000, 0.0018016500000000, -0.0043090800000000 ] - [ -0.0004352800000000, -0.0000002200000000, -0.0005523200000000 ]- atom: 81 displacement: [ 0.0099996587985401, 0.0000000000000000, -0.0000826069777877 ] forces: - [ 0.0011341600000000, -0.0004104500000000, -0.0010869300000000 ] - [ -0.0003211600000000, -0.0001132200000000, 0.0000302200000000 ] - [ 0.0004015800000000, -0.0003990400000000, -0.0003426200000000 ] - [ -0.0002356900000000, -0.0001477300000000, 0.0000156000000000 ] - [ 0.0004946300000000, -0.0029137300000000, -0.0006325400000000 ] - [ -0.0006550600000000, -0.0001427100000000, 0.0008531800000000 ] - [ 0.0009872600000000, 0.0039785800000000, -0.0025686300000000 ] - [ -0.0012139600000000, -0.0008557300000000, 0.0012894400000000 ] - [ -0.0007183500000000, -0.0009250200000000, 0.0018077200000000 ] - [ -0.0003519100000000, 0.0004981400000000, 0.0001418400000000 ] - [ -0.0000910300000000, 0.0004367400000000, 0.0003933000000000 ] - [ -0.0002605700000000, 0.0001717000000000, 0.0003235100000000 ] - [ 0.0555059300000000, 0.0158228200000000, -0.0001848600000000 ] - [ -0.0006192400000000, 0.0001310100000000, 0.0002272100000000 ] - [ 0.0016566700000000, 0.0004688500000000, -0.0018691200000000 ] - [ -0.0005209800000000, 0.0001003900000000, 0.0002610100000000 ] - [ 0.0013518500000000, 0.0007394400000000, -0.0015764300000000 ] - [ -0.0003526600000000, 0.0005079400000000, 0.0006134700000000 ] - [ 0.0004191700000000, 0.0006243000000000, -0.0000728500000000 ] - [ -0.0002326800000000, 0.0006381100000000, 0.0005261300000000 ] - [ -0.0021321100000000, 0.0024552800000000, 0.0023940000000000 ] - [ -0.0022239200000000, -0.0027158000000000, 0.0013570600000000 ] - [ 0.0003506700000000, -0.0018496700000000, -0.0010607700000000 ] - [ -0.0002581800000000, 0.0023824500000000, 0.0008759700000000 ] - [ -0.0002455000000000, -0.0006295700000000, 0.0001541800000000 ] - [ -0.0002580500000000, -0.0003383800000000, -0.0001114300000000 ] - [ -0.0001021600000000, -0.0004638700000000, -0.0001064700000000 ] - [ -0.0001976100000000, -0.0006403800000000, 0.0000666500000000 ] - [ 0.0003772500000000, 0.0002630800000000, 0.0002501500000000 ] - [ -0.0003423600000000, -0.0008301900000000, 0.0003147900000000 ] - [ -0.0028982500000000, -0.0017931500000000, 0.0052246100000000 ] - [ -0.0005179100000000, -0.0002827300000000, 0.0003565500000000 ] - [ 0.0035561400000000, 0.0031270100000000, 0.0000065500000000 ] - [ 0.0027548800000000, -0.0028317300000000, -0.0008714600000000 ] - [ 0.0006658600000000, -0.0021513500000000, -0.0014296900000000 ] - [ 0.0006606200000000, 0.0012729400000000, 0.0001132300000000 ] - [ -0.0009538400000000, -0.0003220600000000, 0.0026274400000000 ] - [ 0.0005144100000000, -0.0004702100000000, 0.0000387100000000 ] - [ -0.0007196900000000, -0.0006326400000000, 0.0005117900000000 ] - [ 0.0003179500000000, -0.0005206100000000, 0.0001680200000000 ] - [ -0.0001337500000000, 0.0008300000000000, -0.0038775900000000 ] - [ 0.0007282700000000, 0.0003713700000000, 0.0004693200000000 ] - [ -0.0004808200000000, 0.0001399800000000, 0.0001152300000000 ] - [ 0.0003174400000000, 0.0006676100000000, 0.0003978200000000 ] - [ 0.0003066600000000, 0.0007869000000000, -0.0002191100000000 ] - [ 0.0002969000000000, 0.0002879600000000, -0.0004541600000000 ] - [ 0.0002456100000000, 0.0004542900000000, -0.0002327800000000 ] - [ 0.0003917300000000, 0.0006206300000000, -0.0005847100000000 ] - [ -0.0008377800000000, -0.0004487200000000, 0.0021964200000000 ] - [ 0.0004642800000000, 0.0003913200000000, -0.0005651900000000 ] - [ -0.0011517500000000, 0.0006367500000000, -0.0002750900000000 ] - [ 0.0004756600000000, 0.0001912200000000, -0.0004753700000000 ] - [ 0.0024888900000000, -0.0003122000000000, -0.0005645100000000 ] - [ 0.0047807600000000, 0.0021506700000000, 0.0008964300000000 ] - [ 0.0003735900000000, 0.0017948700000000, -0.0000198800000000 ] - [ -0.0001038600000000, -0.0004657400000000, 0.0003681600000000 ] - [ 0.0004250900000000, -0.0006007500000000, 0.0004301800000000 ] - [ 0.0003631900000000, -0.0004567400000000, -0.0000321600000000 ] - [ 0.0002609600000000, -0.0004811900000000, 0.0003108800000000 ] - [ 0.0001822600000000, -0.0003610200000000, 0.0001189800000000 ] - [ -0.0009093700000000, -0.0011622100000000, -0.0012927100000000 ] - [ 0.0006548600000000, -0.0000969500000000, -0.0001614200000000 ] - [ 0.0014497700000000, 0.0014409800000000, -0.0022546700000000 ] - [ 0.0004312800000000, -0.0005149400000000, -0.0001606200000000 ] - [ -0.0034492200000000, 0.0010364200000000, 0.0004266900000000 ] - [ 0.0009501800000000, -0.0002943500000000, 0.0001476800000000 ] - [ -0.0154283500000000, -0.0132855500000000, -0.0065367200000000 ] - [ 0.0008161100000000, -0.0001823600000000, 0.0001269000000000 ] - [ -0.0001273900000000, -0.0000287700000000, -0.0034488500000000 ] - [ 0.0007048900000000, -0.0000782600000000, 0.0001658400000000 ] - [ -0.0003465900000000, -0.0003596800000000, -0.0005524100000000 ] - [ 0.0004602800000000, 0.0000061100000000, -0.0001664100000000 ] - [ -0.0003986900000000, -0.0008408300000000, 0.0022056000000000 ] - [ 0.0008631800000000, -0.0000635600000000, -0.0007948600000000 ] - [ -0.0010695500000000, 0.0014904000000000, 0.0006364400000000 ] - [ 0.0006072100000000, -0.0001190100000000, -0.0005894400000000 ] - [ -0.0007077900000000, 0.0001063800000000, 0.0011965700000000 ] - [ 0.0005158100000000, 0.0001536600000000, 0.0001826200000000 ] - [ -0.0007224100000000, -0.0000032800000000, 0.0000777300000000 ] - [ 0.0004847300000000, 0.0001672100000000, 0.0001818200000000 ] - [ -0.0671112200000000, -0.0259523600000000, 0.0108473800000000 ] - [ 0.0006289600000000, 0.0002891500000000, 0.0000820300000000 ] - [ -0.0013260100000000, 0.0002925400000000, 0.0006377800000000 ] - [ 0.0003202700000000, 0.0002905800000000, 0.0000421100000000 ] - [ 0.0000291000000000, 0.0011396200000000, -0.0006216200000000 ] - [ 0.0007806500000000, 0.0000096300000000, 0.0001128200000000 ] - [ 0.0000359700000000, -0.0000231000000000, -0.0002311500000000 ] - [ 0.0007797000000000, 0.0003757100000000, 0.0000787700000000 ] - [ 0.0006167300000000, 0.0025665700000000, 0.0023905500000000 ] - [ 0.0010100700000000, -0.0004042900000000, -0.0002783700000000 ] - [ -0.0009307200000000, -0.0021963500000000, 0.0001935400000000 ] - [ 0.0010260400000000, 0.0002262400000000, -0.0002318600000000 ] - [ -0.0012487100000000, -0.0001510100000000, -0.0001123400000000 ] - [ 0.0001432200000000, -0.0003017500000000, 0.0000698800000000 ] - [ -0.0008670300000000, -0.0001551600000000, -0.0000058900000000 ] - [ 0.0000714900000000, -0.0002766600000000, 0.0000544600000000 ] - [ -0.0017563900000000, -0.0015206000000000, -0.0003411900000000 ] - [ 0.0006874900000000, 0.0001126600000000, -0.0006100800000000 ] - [ -0.0047789500000000, 0.0231082600000000, -0.0094782200000000 ] - [ 0.0006775900000000, -0.0000153200000000, -0.0006862200000000 ] - [ 0.0004340200000000, -0.0001194700000000, -0.0004423200000000 ] - [ 0.0003504900000000, -0.0002447800000000, 0.0003651200000000 ] - [ -0.0000283500000000, -0.0001184200000000, 0.0001961000000000 ] - [ 0.0002165300000000, -0.0001557100000000, 0.0002512200000000 ] - [ 0.0036834600000000, -0.0026969300000000, 0.0021436900000000 ] - [ 0.0013993200000000, 0.0008327100000000, -0.0011614800000000 ] - [ -0.0001791800000000, 0.0009407200000000, 0.0007849800000000 ] - [ 0.0005524800000000, -0.0001215100000000, -0.0004703400000000 ] - [ -0.0014382900000000, 0.0002682500000000, 0.0010697200000000 ] - [ 0.0005139100000000, 0.0000274000000000, -0.0007655300000000 ] - [ -0.0004918200000000, 0.0002441000000000, -0.0002124100000000 ] - [ 0.0004223700000000, 0.0000054500000000, -0.0006875200000000 ] - [ 0.0009652600000000, -0.0004546000000000, -0.0002970800000000 ] - [ -0.0003946100000000, -0.0001737000000000, -0.0001558900000000 ] - [ 0.0010766900000000, 0.0001599400000000, -0.0006130500000000 ] - [ -0.0004700000000000, -0.0003392500000000, -0.0000634200000000 ] - [ 0.0068313100000000, 0.0002181900000000, 0.0004703700000000 ] - [ -0.0015372600000000, -0.0002075500000000, 0.0001532400000000 ] - [ 0.0021941300000000, -0.0013576000000000, 0.0008566500000000 ] - [ -0.0013260100000000, -0.0002365300000000, 0.0001419600000000 ] - [ 0.0023372600000000, -0.0000621700000000, 0.0016427900000000 ] - [ -0.0013738600000000, 0.0001881000000000, 0.0000855700000000 ] - [ 0.0014407800000000, 0.0003696600000000, 0.0003710300000000 ] - [ -0.0012613600000000, 0.0002433100000000, 0.0001037000000000 ] - [ 0.0096761100000000, 0.0027514600000000, -0.0020545600000000 ] - [ -0.0019608300000000, 0.0006235600000000, -0.0001528900000000 ] - [ 0.0010161100000000, 0.0014188000000000, -0.0002451600000000 ] - [ -0.0009312400000000, -0.0000117100000000, -0.0002787500000000 ] - [ 0.0002974600000000, 0.0000745000000000, 0.0001150700000000 ] - [ -0.0009728800000000, -0.0001553600000000, -0.0002671900000000 ] - [ 0.0002900100000000, -0.0003265200000000, 0.0010906200000000 ] - [ -0.0010269500000000, 0.0001007700000000, -0.0003249600000000 ] - [ -0.0012504800000000, -0.0005102000000000, -0.0015364000000000 ] - [ -0.0010548300000000, 0.0005530800000000, 0.0013449400000000 ] - [ -0.0000894800000000, 0.0000455400000000, -0.0003746600000000 ] - [ -0.0002424500000000, -0.0005462700000000, 0.0004355600000000 ] - [ -0.0004509800000000, 0.0006131600000000, 0.0011578800000000 ] - [ -0.0002462700000000, -0.0008876400000000, -0.0014614100000000 ] - [ -0.0000057100000000, -0.0004407400000000, 0.0008929600000000 ] - [ -0.0000636800000000, 0.0008611900000000, -0.0005516100000000 ] - [ 0.0084439200000000, -0.0026399200000000, 0.0019957400000000 ] - [ -0.0024717100000000, -0.0001573200000000, 0.0000104000000000 ] - [ 0.0010559100000000, -0.0009862500000000, -0.0018372000000000 ] - [ -0.0016160500000000, 0.0001884400000000, -0.0000589800000000 ]- atom: 81 displacement: [ -0.0099996587985401, 0.0000000000000000, 0.0000826069777877 ] forces: - [ -0.0008914900000000, -0.0000724100000000, 0.0005655600000000 ] - [ 0.0005584300000000, -0.0003669600000000, -0.0005427000000000 ] - [ -0.0001669900000000, -0.0000721300000000, -0.0001671800000000 ] - [ 0.0004725800000000, -0.0003308000000000, -0.0005275000000000 ] - [ -0.0007329200000000, 0.0024548300000000, 0.0011530800000000 ] - [ 0.0004196500000000, -0.0003340500000000, -0.0003387900000000 ] - [ -0.0012454500000000, -0.0044930800000000, 0.0031097800000000 ] - [ 0.0009788600000000, 0.0003718800000000, -0.0007746100000000 ] - [ 0.0004858300000000, 0.0014059100000000, -0.0013049200000000 ] - [ 0.0001177100000000, -0.0000192300000000, 0.0003650500000000 ] - [ -0.0001516700000000, 0.0000462000000000, 0.0001254500000000 ] - [ 0.0000272700000000, 0.0003067400000000, 0.0001854700000000 ] - [ -0.0556279400000000, -0.0168217400000000, -0.0004993700000000 ] - [ 0.0008555000000000, 0.0003443800000000, -0.0007399700000000 ] - [ -0.0014239300000000, 0.0000502700000000, 0.0013727500000000 ] - [ 0.0007571100000000, 0.0003820400000000, -0.0007721400000000 ] - [ -0.0011261500000000, 0.0002894300000000, 0.0017975100000000 ] - [ 0.0005734700000000, 0.0005341200000000, -0.0003829000000000 ] - [ -0.0002012500000000, 0.0004292900000000, 0.0003115000000000 ] - [ 0.0004521500000000, 0.0004047600000000, -0.0002944700000000 ] - [ 0.0019218900000000, -0.0014456900000000, -0.0026474500000000 ] - [ 0.0019952000000000, 0.0037173600000000, -0.0015773400000000 ] - [ -0.0005723400000000, 0.0029250800000000, 0.0008362100000000 ] - [ 0.0000399600000000, -0.0013159600000000, -0.0011034900000000 ] - [ 0.0000253200000000, -0.0004140700000000, -0.0003880400000000 ] - [ 0.0000415500000000, -0.0007076800000000, -0.0001260500000000 ] - [ -0.0001202200000000, -0.0005771400000000, -0.0001228500000000 ] - [ -0.0000192500000000, -0.0003985800000000, -0.0003023200000000 ] - [ -0.0001626500000000, -0.0012999200000000, -0.0000052700000000 ] - [ 0.0005624200000000, -0.0002092200000000, -0.0000793500000000 ] - [ 0.0031775000000000, 0.0007246500000000, -0.0051011300000000 ] - [ 0.0007389000000000, -0.0007630700000000, -0.0001223300000000 ] - [ -0.0032640000000000, -0.0041926500000000, -0.0006951200000000 ] - [ -0.0023990500000000, 0.0017840400000000, 0.0001816700000000 ] - [ -0.0003197300000000, 0.0011465000000000, 0.0007571100000000 ] - [ -0.0003399800000000, -0.0022764300000000, -0.0007971800000000 ] - [ 0.0006092700000000, -0.0006879100000000, -0.0019331100000000 ] - [ -0.0008481000000000, -0.0005531100000000, 0.0006481600000000 ] - [ 0.0003846100000000, -0.0004035800000000, 0.0001681000000000 ] - [ -0.0006509700000000, -0.0005049100000000, 0.0005173700000000 ] - [ -0.0002176800000000, 0.0002368600000000, 0.0045682900000000 ] - [ -0.0010640700000000, 0.0006543600000000, 0.0002124800000000 ] - [ 0.0001482900000000, 0.0008758100000000, 0.0005658200000000 ] - [ -0.0006503100000000, 0.0003540600000000, 0.0002843400000000 ] - [ 0.0000278100000000, 0.0002369200000000, -0.0004663900000000 ] - [ 0.0000344000000000, 0.0007375000000000, -0.0002290400000000 ] - [ 0.0000905600000000, 0.0005699200000000, -0.0004530600000000 ] - [ -0.0000638200000000, 0.0004014400000000, -0.0000972300000000 ] - [ 0.0005651700000000, 0.0012991900000000, -0.0026500200000000 ] - [ -0.0007344100000000, 0.0004594900000000, 0.0000878600000000 ] - [ 0.0008689300000000, 0.0002121700000000, -0.0002181200000000 ] - [ -0.0007440700000000, 0.0006609700000000, -0.0000038500000000 ] - [ -0.0022367900000000, 0.0011819900000000, 0.0010500100000000 ] - [ -0.0044675100000000, -0.0012763300000000, -0.0004111800000000 ] - [ -0.0000959800000000, -0.0009656100000000, 0.0005025900000000 ] - [ 0.0003601500000000, 0.0012982300000000, 0.0001129800000000 ] - [ -0.0001541300000000, -0.0002486200000000, 0.0000494000000000 ] - [ -0.0000994900000000, -0.0003903400000000, 0.0005146900000000 ] - [ 0.0000103500000000, -0.0003725900000000, 0.0001676800000000 ] - [ 0.0000848500000000, -0.0004926800000000, 0.0003626900000000 ] - [ 0.0006354500000000, 0.0003119000000000, 0.0008049300000000 ] - [ -0.0009257400000000, -0.0007559200000000, -0.0003202200000000 ] - [ -0.0017399100000000, -0.0023122200000000, 0.0018179000000000 ] - [ -0.0006997000000000, -0.0003343100000000, -0.0003204500000000 ] - [ 0.0034506000000000, -0.0012361400000000, 0.0001028300000000 ] - [ -0.0009586200000000, 0.0001224200000000, 0.0003850300000000 ] - [ 0.0155658300000000, 0.0128466200000000, 0.0069393400000000 ] - [ -0.0008261100000000, 0.0000151400000000, 0.0004070100000000 ] - [ 0.0001463000000000, -0.0001254500000000, 0.0029373100000000 ] - [ -0.0006962200000000, -0.0000910700000000, -0.0006936200000000 ] - [ 0.0003621700000000, 0.0001810600000000, 0.0000125500000000 ] - [ -0.0004530900000000, -0.0001765500000000, -0.0003650800000000 ] - [ 0.0004238700000000, 0.0010141300000000, -0.0027521900000000 ] - [ -0.0008561200000000, 0.0002340600000000, 0.0002605000000000 ] - [ 0.0010861300000000, -0.0013332800000000, -0.0011762500000000 ] - [ -0.0006002300000000, 0.0002861600000000, 0.0000550000000000 ] - [ 0.0006985200000000, 0.0000678900000000, -0.0006430700000000 ] - [ -0.0005258700000000, 0.0000150200000000, 0.0003499300000000 ] - [ 0.0007171400000000, 0.0001702800000000, 0.0004576900000000 ] - [ -0.0004948500000000, 0.0000013900000000, 0.0003505700000000 ] - [ 0.0670655700000000, 0.0289312300000000, -0.0108840400000000 ] - [ -0.0013166700000000, 0.0001832100000000, 0.0000171600000000 ] - [ 0.0006416500000000, 0.0001406100000000, -0.0005375000000000 ] - [ -0.0010075300000000, 0.0001765400000000, 0.0000577900000000 ] - [ 0.0006584300000000, -0.0006728100000000, 0.0005261500000000 ] - [ -0.0000951100000000, 0.0004593400000000, -0.0002114100000000 ] - [ 0.0006587900000000, 0.0004915100000000, 0.0001256100000000 ] - [ -0.0000955100000000, 0.0000952200000000, -0.0001781900000000 ] - [ 0.0000705100000000, -0.0030548300000000, -0.0025177000000000 ] - [ -0.0003246200000000, -0.0000666400000000, 0.0001747000000000 ] - [ 0.0016344500000000, 0.0017394600000000, -0.0002869000000000 ] - [ -0.0003428300000000, -0.0006932200000000, 0.0001299300000000 ] - [ 0.0005630300000000, -0.0003123500000000, 0.0002096300000000 ] - [ -0.0008301900000000, -0.0001669800000000, 0.0000312700000000 ] - [ 0.0001822700000000, -0.0003208000000000, 0.0001072600000000 ] - [ -0.0007582400000000, -0.0001938500000000, 0.0000464600000000 ] - [ 0.0016991500000000, 0.0012757200000000, -0.0003409000000000 ] - [ -0.0007461500000000, -0.0003467600000000, -0.0000584700000000 ] - [ 0.0045185300000000, -0.0233577000000000, 0.0088072500000000 ] - [ -0.0007349000000000, -0.0002155300000000, 0.0000186900000000 ] - [ -0.0003779900000000, -0.0001119400000000, 0.0011133700000000 ] - [ -0.0002961200000000, 0.0000136500000000, 0.0003066100000000 ] - [ 0.0000912600000000, -0.0001185200000000, 0.0004660000000000 ] - [ -0.0001624600000000, -0.0000780500000000, 0.0004192600000000 ] - [ -0.0036755500000000, 0.0029698500000000, -0.0015065800000000 ] - [ -0.0013398000000000, -0.0005933800000000, 0.0018183500000000 ] - [ 0.0002390600000000, -0.0007180500000000, -0.0001222100000000 ] - [ -0.0004960500000000, 0.0003488200000000, 0.0011326400000000 ] - [ 0.0013722200000000, -0.0000309700000000, -0.0017236900000000 ] - [ -0.0005722200000000, 0.0002058900000000, 0.0001006400000000 ] - [ 0.0004371600000000, -0.0000156600000000, -0.0004588200000000 ] - [ -0.0004795300000000, 0.0002279700000000, 0.0000212800000000 ] - [ -0.0004251400000000, -0.0000136600000000, -0.0000058600000000 ] - [ 0.0009433300000000, -0.0002938000000000, -0.0001480700000000 ] - [ -0.0005383600000000, -0.0006307700000000, 0.0003105100000000 ] - [ 0.0010204800000000, -0.0001310100000000, -0.0002403100000000 ] - [ -0.0073851100000000, -0.0006936400000000, -0.0001213700000000 ] - [ 0.0009939600000000, -0.0002616000000000, 0.0001524000000000 ] - [ -0.0027537100000000, 0.0009114100000000, -0.0005669000000000 ] - [ 0.0007825200000000, -0.0002317100000000, 0.0001628900000000 ] - [ -0.0028846400000000, 0.0005009800000000, -0.0012870600000000 ] - [ 0.0008291700000000, 0.0002784800000000, 0.0002164300000000 ] - [ -0.0019869600000000, 0.0001129400000000, -0.0000741400000000 ] - [ 0.0007166300000000, 0.0002274400000000, 0.0001980300000000 ] - [ -0.0096127700000000, -0.0026898400000000, 0.0019479200000000 ] - [ 0.0024987800000000, -0.0001536900000000, -0.0001492400000000 ] - [ -0.0005213600000000, -0.0009131000000000, -0.0000677900000000 ] - [ 0.0014814700000000, 0.0004810100000000, -0.0000243400000000 ] - [ -0.0009465600000000, -0.0001801200000000, -0.0003159000000000 ] - [ 0.0003204000000000, 0.0000505200000000, 0.0000688700000000 ] - [ -0.0009384500000000, 0.0002176400000000, -0.0012978100000000 ] - [ 0.0003738500000000, -0.0002087400000000, 0.0001270700000000 ] - [ 0.0019068100000000, 0.0004027800000000, 0.0017498100000000 ] - [ 0.0017125000000000, -0.0006651900000000, -0.0011354800000000 ] - [ 0.0007378600000000, -0.0001486400000000, 0.0005752600000000 ] - [ 0.0009069400000000, 0.0004499400000000, -0.0002361800000000 ] - [ 0.0010971900000000, -0.0005166100000000, -0.0009647200000000 ] - [ 0.0009034000000000, 0.0009808000000000, 0.0016506600000000 ] - [ 0.0006555700000000, 0.0005562700000000, -0.0007010700000000 ] - [ 0.0007164500000000, -0.0007433200000000, 0.0007460000000000 ] - [ -0.0088231100000000, 0.0024143800000000, -0.0019841500000000 ] - [ 0.0018308300000000, 0.0002636700000000, -0.0002115200000000 ] - [ -0.0016588300000000, 0.0011272900000000, 0.0016547600000000 ] - [ 0.0009633400000000, -0.0000821600000000, -0.0001412100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004929500000000, 0.0027704800000000, -0.0010133200000000 ] - [ 0.0000573100000000, -0.0000225500000000, -0.0001989300000000 ] - [ 0.0003940600000000, -0.0020072800000000, -0.0004213200000000 ] - [ 0.0000908100000000, -0.0004402800000000, -0.0002095300000000 ] - [ -0.0004097400000000, -0.0048075300000000, -0.0004899700000000 ] - [ 0.0002280300000000, -0.0004355000000000, -0.0001503300000000 ] - [ 0.0015424300000000, 0.0022781900000000, 0.0016329300000000 ] - [ -0.0005444700000000, 0.0000718300000000, 0.0004762800000000 ] - [ -0.0007107500000000, -0.0000461800000000, 0.0012145500000000 ] - [ -0.0000568500000000, 0.0004369700000000, 0.0004103000000000 ] - [ 0.0006712900000000, -0.0004798800000000, -0.0007021300000000 ] - [ -0.0003724200000000, 0.0000746200000000, 0.0003906800000000 ] - [ 0.0199160000000000, 0.2878841200000000, 0.0238885800000000 ] - [ 0.0000781200000000, 0.0006942500000000, -0.0001961900000000 ] - [ -0.0004971400000000, -0.0087321300000000, -0.0016267900000000 ] - [ 0.0000543500000000, -0.0002379300000000, -0.0003220800000000 ] - [ -0.0004474200000000, 0.0017723400000000, 0.0014736700000000 ] - [ -0.0000202000000000, 0.0007107300000000, 0.0002019300000000 ] - [ 0.0005228200000000, -0.0015666100000000, -0.0009533400000000 ] - [ 0.0001801400000000, 0.0003277400000000, 0.0001317600000000 ] - [ 0.0015124200000000, 0.0037428300000000, -0.0004494900000000 ] - [ -0.0007232900000000, 0.0041896100000000, -0.0007666900000000 ] - [ -0.0004760900000000, -0.0027061100000000, -0.0002227500000000 ] - [ -0.0001072000000000, -0.0032229800000000, -0.0007393200000000 ] - [ -0.0003466100000000, 0.0000035800000000, 0.0000860300000000 ] - [ -0.0001874200000000, 0.0002871700000000, 0.0002061000000000 ] - [ 0.0002440600000000, -0.0009859600000000, -0.0005658800000000 ] - [ -0.0002672200000000, -0.0013831300000000, 0.0000114700000000 ] - [ 0.0022863100000000, -0.0034326800000000, -0.0040561600000000 ] - [ -0.0000593200000000, -0.0008861300000000, -0.0000030700000000 ] - [ -0.0111024500000000, 0.0054845600000000, 0.0200733300000000 ] - [ 0.0001949900000000, -0.0002228300000000, 0.0002170600000000 ] - [ 0.0031289900000000, 0.0030839400000000, -0.0000317000000000 ] - [ -0.0034222300000000, 0.0031554700000000, 0.0004094300000000 ] - [ -0.0019303700000000, -0.0019231800000000, -0.0007735600000000 ] - [ 0.0023346100000000, -0.0024329500000000, 0.0000048600000000 ] - [ -0.0000986200000000, -0.0031405300000000, -0.0016285100000000 ] - [ -0.0001494400000000, -0.0007515900000000, 0.0002573400000000 ] - [ -0.0000903500000000, 0.0016297400000000, 0.0010420100000000 ] - [ -0.0001513400000000, -0.0002850800000000, 0.0003209600000000 ] - [ 0.0010496400000000, -0.0070831900000000, -0.0043986500000000 ] - [ -0.0000438900000000, 0.0001858400000000, 0.0002808100000000 ] - [ -0.0006446500000000, 0.0037150600000000, 0.0019042500000000 ] - [ -0.0001454900000000, 0.0008531100000000, 0.0004603900000000 ] - [ 0.0004507300000000, 0.0003384600000000, -0.0001770200000000 ] - [ -0.0001117100000000, 0.0000825700000000, -0.0003194900000000 ] - [ -0.0001119500000000, 0.0006771900000000, -0.0002863900000000 ] - [ 0.0007475500000000, 0.0010153800000000, -0.0006905700000000 ] - [ -0.0001307700000000, 0.0010903500000000, -0.0032759100000000 ] - [ 0.0000408800000000, 0.0004159200000000, -0.0004238800000000 ] - [ 0.0015637900000000, 0.0011332600000000, 0.0021486800000000 ] - [ -0.0002874300000000, 0.0004390300000000, -0.0001816100000000 ] - [ 0.0012424700000000, -0.0024945000000000, 0.0006155200000000 ] - [ -0.0019914400000000, -0.0033745000000000, 0.0007152000000000 ] - [ -0.0006834900000000, 0.0030734000000000, -0.0001865200000000 ] - [ 0.0017917400000000, 0.0035272400000000, -0.0000559300000000 ] - [ 0.0001233900000000, -0.0009784300000000, 0.0001453300000000 ] - [ 0.0006035900000000, -0.0012135300000000, -0.0000377600000000 ] - [ 0.0001089700000000, 0.0001068300000000, 0.0004784800000000 ] - [ -0.0000740100000000, 0.0003032000000000, 0.0002016800000000 ] - [ -0.0020448300000000, 0.0003207200000000, 0.0017674000000000 ] - [ 0.0002157900000000, -0.0003381700000000, -0.0001116900000000 ] - [ 0.0042295200000000, 0.0029043800000000, -0.0074511200000000 ] - [ -0.0002936400000000, -0.0004803100000000, -0.0002880200000000 ] - [ -0.0000110300000000, 0.0073016600000000, -0.0004455500000000 ] - [ -0.0001101100000000, 0.0001339400000000, 0.0002825000000000 ] - [ -0.0117457500000000, 0.0479541000000000, 0.0350444100000000 ] - [ 0.0001532300000000, -0.0002830200000000, 0.0002282000000000 ] - [ 0.0001283700000000, -0.0019854200000000, -0.0025546600000000 ] - [ -0.0000380000000000, -0.0003183700000000, -0.0004234800000000 ] - [ -0.0006155400000000, 0.0014851200000000, 0.0007892800000000 ] - [ 0.0001116200000000, 0.0002001200000000, -0.0003159400000000 ] - [ -0.0001113000000000, -0.0024398500000000, -0.0012021700000000 ] - [ 0.0002061400000000, -0.0002106500000000, -0.0003914000000000 ] - [ -0.0006307200000000, 0.0025030300000000, 0.0007417600000000 ] - [ 0.0000341600000000, 0.0004209200000000, -0.0000293700000000 ] - [ -0.0001206400000000, 0.0000881400000000, 0.0036093300000000 ] - [ 0.0000439400000000, 0.0000248300000000, 0.0002801500000000 ] - [ -0.0003952600000000, 0.0006227700000000, -0.0003286200000000 ] - [ 0.0001069300000000, 0.0001842200000000, 0.0002334700000000 ] - [ -0.0292127900000000, -0.4006991400000000, -0.0377459500000000 ] - [ -0.0002892500000000, -0.0001819100000000, 0.0001415100000000 ] - [ -0.0002674100000000, 0.0083561300000000, 0.0002770600000000 ] - [ -0.0002860400000000, 0.0006519200000000, 0.0000321800000000 ] - [ 0.0005978700000000, 0.0005078900000000, -0.0003306600000000 ] - [ 0.0002020600000000, 0.0002212900000000, -0.0001973000000000 ] - [ -0.0005590900000000, 0.0005014100000000, 0.0007873000000000 ] - [ 0.0005683500000000, 0.0002187000000000, -0.0000553000000000 ] - [ 0.0031752700000000, 0.0032299400000000, 0.0027062600000000 ] - [ 0.0001767400000000, -0.0002730500000000, 0.0002126500000000 ] - [ -0.0016461500000000, -0.0007985400000000, -0.0018439500000000 ] - [ 0.0008043100000000, -0.0002778200000000, -0.0000550900000000 ] - [ -0.0004164900000000, -0.0026497600000000, 0.0010190500000000 ] - [ -0.0002756700000000, -0.0004393100000000, 0.0000145600000000 ] - [ -0.0004272900000000, 0.0013207200000000, -0.0000401000000000 ] - [ -0.0003015000000000, -0.0000421000000000, 0.0000437200000000 ] - [ -0.0012942900000000, 0.0059583200000000, 0.0017481200000000 ] - [ 0.0001526300000000, 0.0000537000000000, -0.0002742800000000 ] - [ 0.0252922700000000, 0.0420744700000000, -0.0244932700000000 ] - [ -0.0000821300000000, -0.0002723100000000, -0.0003636200000000 ] - [ 0.0005292400000000, -0.0005160300000000, -0.0002611300000000 ] - [ 0.0000798900000000, -0.0004116600000000, 0.0001034600000000 ] - [ -0.0006087000000000, 0.0004782600000000, 0.0010513700000000 ] - [ 0.0002135800000000, 0.0001651900000000, 0.0001454200000000 ] - [ -0.0008542100000000, -0.0017151200000000, 0.0004909300000000 ] - [ 0.0002190700000000, -0.0005931400000000, 0.0006072500000000 ] - [ 0.0004729100000000, 0.0019878000000000, -0.0001104800000000 ] - [ -0.0001673900000000, 0.0009192100000000, 0.0009546700000000 ] - [ 0.0002487100000000, -0.0004940300000000, -0.0008425100000000 ] - [ 0.0000814400000000, 0.0000255900000000, -0.0004487800000000 ] - [ -0.0005686000000000, 0.0009147700000000, 0.0004535700000000 ] - [ -0.0000431500000000, 0.0001781700000000, -0.0003276900000000 ] - [ -0.0000322300000000, -0.0011272700000000, -0.0006853900000000 ] - [ 0.0002655400000000, -0.0004665200000000, -0.0001308100000000 ] - [ 0.0007379500000000, 0.0005102300000000, -0.0001441700000000 ] - [ -0.0000825700000000, -0.0000015300000000, -0.0000444200000000 ] - [ 0.0012150000000000, 0.0060187200000000, -0.0009616600000000 ] - [ -0.0004283600000000, 0.0000341400000000, 0.0000718700000000 ] - [ 0.0014259900000000, -0.0053970500000000, 0.0024150200000000 ] - [ -0.0004554000000000, -0.0005007100000000, 0.0001252500000000 ] - [ -0.0005515500000000, 0.0058861700000000, -0.0064998700000000 ] - [ -0.0003596500000000, 0.0004954000000000, 0.0001424000000000 ] - [ -0.0004762500000000, -0.0023895900000000, 0.0016933700000000 ] - [ -0.0002855700000000, -0.0000305000000000, 0.0002702200000000 ] - [ -0.0004052800000000, 0.0059377000000000, -0.0003452300000000 ] - [ 0.0011210200000000, 0.0008090800000000, -0.0002926600000000 ] - [ 0.0063612200000000, -0.0063036500000000, 0.0006881700000000 ] - [ -0.0003538700000000, -0.0003134000000000, -0.0001988700000000 ] - [ 0.0001538900000000, -0.0009926400000000, -0.0005438400000000 ] - [ -0.0004797800000000, -0.0002639700000000, -0.0002121800000000 ] - [ -0.0005056400000000, 0.0007930800000000, 0.0012204800000000 ] - [ -0.0002822200000000, 0.0001489200000000, -0.0000805400000000 ] - [ -0.0006793100000000, 0.0013207400000000, -0.0005651700000000 ] - [ 0.0005853600000000, 0.0018269200000000, -0.0004445800000000 ] - [ 0.0006603100000000, -0.0011353700000000, 0.0002207900000000 ] - [ -0.0008968100000000, -0.0021787900000000, 0.0002866700000000 ] - [ 0.0010610400000000, 0.0013521500000000, -0.0001311100000000 ] - [ -0.0002262900000000, 0.0019828200000000, -0.0000094700000000 ] - [ 0.0002897800000000, -0.0010692600000000, 0.0006461300000000 ] - [ 0.0006780100000000, -0.0017774700000000, 0.0006484800000000 ] - [ -0.0001658800000000, 0.0069653700000000, -0.0006761000000000 ] - [ -0.0011874700000000, 0.0004012600000000, 0.0000070100000000 ] - [ -0.0066254000000000, -0.0069784700000000, -0.0030493300000000 ] - [ 0.0000406900000000, -0.0003060600000000, -0.0000986700000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002509900000000, -0.0032321700000000, 0.0004943900000000 ] - [ 0.0001785200000000, -0.0004561200000000, -0.0003123400000000 ] - [ -0.0001552700000000, 0.0015228600000000, -0.0000934700000000 ] - [ 0.0001451600000000, -0.0000385600000000, -0.0003020600000000 ] - [ 0.0001752400000000, 0.0043149100000000, 0.0010023300000000 ] - [ -0.0004651600000000, -0.0000481800000000, 0.0006636000000000 ] - [ -0.0017791900000000, -0.0026960300000000, -0.0011237400000000 ] - [ 0.0003099100000000, -0.0005445500000000, 0.0000339100000000 ] - [ 0.0004717800000000, 0.0005147000000000, -0.0006970200000000 ] - [ -0.0001795000000000, 0.0000394000000000, 0.0001013800000000 ] - [ -0.0008999800000000, 0.0009604900000000, 0.0012020200000000 ] - [ 0.0001339000000000, 0.0004065400000000, 0.0001208800000000 ] - [ -0.0178176000000000, -0.2663840200000000, -0.0218069300000000 ] - [ 0.0001557400000000, -0.0002134500000000, -0.0003142600000000 ] - [ 0.0007332700000000, 0.0092075900000000, 0.0011113300000000 ] - [ 0.0001798900000000, 0.0007150500000000, -0.0001897900000000 ] - [ 0.0006663700000000, -0.0007545000000000, -0.0012407100000000 ] - [ 0.0002391800000000, 0.0003311200000000, 0.0000304900000000 ] - [ -0.0003025800000000, 0.0026051100000000, 0.0011756000000000 ] - [ 0.0000396200000000, 0.0007158200000000, 0.0001004500000000 ] - [ -0.0017490200000000, -0.0026807100000000, 0.0002526900000000 ] - [ 0.0005105600000000, -0.0031090600000000, 0.0005242200000000 ] - [ 0.0002597100000000, 0.0037339100000000, -0.0000138800000000 ] - [ -0.0001159600000000, 0.0042546200000000, 0.0005079600000000 ] - [ 0.0001262800000000, -0.0010472100000000, -0.0003192400000000 ] - [ -0.0000315800000000, -0.0013290000000000, -0.0004375800000000 ] - [ -0.0004603000000000, -0.0000554900000000, 0.0003278600000000 ] - [ 0.0000462800000000, 0.0003387900000000, -0.0002444000000000 ] - [ -0.0020806700000000, 0.0023724500000000, 0.0043117500000000 ] - [ 0.0002780800000000, -0.0001589300000000, 0.0002368100000000 ] - [ 0.0112568800000000, -0.0064267300000000, -0.0196991800000000 ] - [ 0.0000219100000000, -0.0008160600000000, 0.0000171000000000 ] - [ -0.0027837900000000, -0.0040948100000000, -0.0006519100000000 ] - [ 0.0037560400000000, -0.0041741900000000, -0.0010949300000000 ] - [ 0.0022537200000000, 0.0008832900000000, 0.0000760900000000 ] - [ -0.0019896500000000, 0.0013898000000000, -0.0006874000000000 ] - [ -0.0002466000000000, 0.0021279600000000, 0.0022853100000000 ] - [ -0.0001830400000000, -0.0002727300000000, 0.0004263600000000 ] - [ -0.0002402700000000, -0.0026473800000000, -0.0003500300000000 ] - [ -0.0001822800000000, -0.0007395500000000, 0.0003635600000000 ] - [ -0.0013941200000000, 0.0080326400000000, 0.0050826300000000 ] - [ -0.0002853600000000, 0.0008369300000000, 0.0004032400000000 ] - [ 0.0003150500000000, -0.0026817500000000, -0.0012275300000000 ] - [ -0.0001877300000000, 0.0001727000000000, 0.0002228800000000 ] - [ -0.0001166200000000, 0.0006886000000000, -0.0005063300000000 ] - [ 0.0004440500000000, 0.0009427400000000, -0.0003648600000000 ] - [ 0.0004442300000000, 0.0003448700000000, -0.0003957500000000 ] - [ -0.0004119500000000, 0.0000093000000000, 0.0000042500000000 ] - [ -0.0001428900000000, -0.0002268900000000, 0.0028007700000000 ] - [ -0.0003100900000000, 0.0004374100000000, -0.0000567900000000 ] - [ -0.0018189700000000, -0.0002857200000000, -0.0026143000000000 ] - [ 0.0000180700000000, 0.0004117200000000, -0.0002987900000000 ] - [ -0.0009661100000000, 0.0033485100000000, -0.0001455400000000 ] - [ 0.0022253700000000, 0.0042174400000000, -0.0002419300000000 ] - [ 0.0009439300000000, -0.0022112600000000, 0.0006649300000000 ] - [ -0.0015113400000000, -0.0026654700000000, 0.0005348600000000 ] - [ 0.0001477900000000, 0.0001262900000000, 0.0003374800000000 ] - [ -0.0003343000000000, 0.0003598100000000, 0.0005182000000000 ] - [ 0.0001592000000000, -0.0009567900000000, 0.0000031900000000 ] - [ 0.0003433000000000, -0.0011518700000000, 0.0002777300000000 ] - [ 0.0017713400000000, -0.0011504800000000, -0.0022531800000000 ] - [ -0.0004822500000000, -0.0005102700000000, -0.0003683900000000 ] - [ -0.0044671100000000, -0.0037421700000000, 0.0069124200000000 ] - [ 0.0000254700000000, -0.0003735000000000, -0.0001915400000000 ] - [ -0.0000082200000000, -0.0074865600000000, 0.0009979600000000 ] - [ 0.0001017000000000, -0.0003012000000000, 0.0002497800000000 ] - [ 0.0115633600000000, -0.0475056300000000, -0.0339227000000000 ] - [ -0.0001609300000000, 0.0001119600000000, 0.0003033900000000 ] - [ -0.0001090300000000, 0.0018209300000000, 0.0020054100000000 ] - [ 0.0000462500000000, 0.0001502000000000, -0.0001111300000000 ] - [ 0.0006153900000000, -0.0016491400000000, -0.0013110400000000 ] - [ -0.0001008800000000, -0.0003690000000000, -0.0002166600000000 ] - [ 0.0001380700000000, 0.0025819800000000, 0.0006917100000000 ] - [ -0.0001974800000000, 0.0003783500000000, -0.0001406000000000 ] - [ 0.0006352400000000, -0.0023254200000000, -0.0012747400000000 ] - [ -0.0000233700000000, -0.0002497400000000, -0.0005037500000000 ] - [ 0.0001088700000000, 0.0000775500000000, -0.0030465900000000 ] - [ -0.0000522600000000, 0.0001448600000000, 0.0002527100000000 ] - [ 0.0003818500000000, -0.0004559400000000, 0.0008590300000000 ] - [ -0.0001148100000000, -0.0000152100000000, 0.0002993600000000 ] - [ 0.0263269000000000, 0.3792057300000000, 0.0348139500000000 ] - [ -0.0003965400000000, 0.0006509000000000, -0.0000416000000000 ] - [ -0.0004229900000000, -0.0078760800000000, -0.0001815000000000 ] - [ -0.0003996000000000, -0.0001806900000000, 0.0000678400000000 ] - [ 0.0000877800000000, -0.0000293400000000, 0.0002302800000000 ] - [ 0.0004848500000000, 0.0002514100000000, 0.0000969600000000 ] - [ 0.0012395500000000, -0.0000357200000000, -0.0008795900000000 ] - [ 0.0001186500000000, 0.0002487000000000, -0.0000455900000000 ] - [ -0.0024920700000000, -0.0036816900000000, -0.0028132500000000 ] - [ 0.0005098100000000, -0.0001929000000000, -0.0003130500000000 ] - [ 0.0023191400000000, 0.0003008300000000, 0.0017314200000000 ] - [ -0.0001152500000000, -0.0001958800000000, -0.0000448800000000 ] - [ -0.0002708800000000, 0.0021672400000000, -0.0009099100000000 ] - [ -0.0004097100000000, -0.0000303400000000, 0.0000859500000000 ] - [ -0.0002600200000000, -0.0017845700000000, 0.0001428600000000 ] - [ -0.0003840000000000, -0.0004271300000000, 0.0000569400000000 ] - [ 0.0012590100000000, -0.0062194200000000, -0.0024328100000000 ] - [ -0.0002085700000000, -0.0002845500000000, -0.0003936400000000 ] - [ -0.0248780600000000, -0.0415997300000000, 0.0234302600000000 ] - [ 0.0000262900000000, 0.0000395600000000, -0.0003055200000000 ] - [ -0.0004697900000000, 0.0002834300000000, 0.0009249400000000 ] - [ -0.0000237800000000, 0.0001796200000000, 0.0005627400000000 ] - [ 0.0006602000000000, -0.0007087000000000, -0.0003768700000000 ] - [ -0.0001543000000000, -0.0003977700000000, 0.0005212000000000 ] - [ 0.0009517700000000, 0.0019214000000000, 0.0001775900000000 ] - [ -0.0001651600000000, 0.0008188000000000, 0.0000652400000000 ] - [ -0.0004174900000000, -0.0017483200000000, 0.0007750500000000 ] - [ 0.0002277100000000, -0.0006832800000000, -0.0002912500000000 ] - [ -0.0003070800000000, 0.0007313100000000, 0.0001766700000000 ] - [ -0.0001380300000000, 0.0002075800000000, -0.0002186100000000 ] - [ 0.0005082200000000, -0.0006803000000000, -0.0011140100000000 ] - [ -0.0000134600000000, 0.0000548800000000, -0.0003392400000000 ] - [ 0.0005769900000000, 0.0006506700000000, 0.0003803600000000 ] - [ 0.0002789100000000, -0.0000042100000000, -0.0001727300000000 ] - [ -0.0001892400000000, -0.0009695900000000, -0.0001708300000000 ] - [ 0.0006263900000000, -0.0004648000000000, -0.0002593100000000 ] - [ -0.0017591800000000, -0.0065045900000000, 0.0011230300000000 ] - [ -0.0001194300000000, -0.0005034700000000, 0.0002311200000000 ] - [ -0.0019548300000000, 0.0049122500000000, -0.0020923600000000 ] - [ -0.0000929600000000, 0.0000326800000000, 0.0001781500000000 ] - [ -0.0000018500000000, -0.0053571200000000, 0.0068024400000000 ] - [ -0.0001870000000000, -0.0000254300000000, 0.0001608100000000 ] - [ -0.0000684800000000, 0.0028475800000000, -0.0013989200000000 ] - [ -0.0002614900000000, 0.0004980200000000, 0.0000329800000000 ] - [ 0.0006751800000000, -0.0056133100000000, 0.0001382600000000 ] - [ -0.0005730800000000, -0.0003450800000000, -0.0000108100000000 ] - [ -0.0057737900000000, 0.0067522700000000, -0.0009786700000000 ] - [ 0.0008945600000000, 0.0007840500000000, -0.0001046700000000 ] - [ -0.0008026300000000, 0.0008776100000000, 0.0003444300000000 ] - [ -0.0001734200000000, 0.0001558100000000, 0.0000120000000000 ] - [ -0.0001457800000000, -0.0008882000000000, -0.0014204200000000 ] - [ -0.0003718200000000, -0.0002528700000000, -0.0001207400000000 ] - [ 0.0013189700000000, -0.0014356900000000, 0.0007571200000000 ] - [ 0.0000742800000000, -0.0019343000000000, 0.0006379100000000 ] - [ -0.0000064400000000, 0.0010313000000000, -0.0000205200000000 ] - [ 0.0015389800000000, 0.0020660800000000, -0.0000847300000000 ] - [ -0.0004057300000000, -0.0012376800000000, 0.0003306200000000 ] - [ 0.0008806900000000, -0.0018629200000000, 0.0002151800000000 ] - [ 0.0003658200000000, 0.0011702100000000, -0.0004470900000000 ] - [ -0.0000298300000000, 0.0018785400000000, -0.0004529000000000 ] - [ -0.0001367700000000, -0.0071390300000000, 0.0006909000000000 ] - [ 0.0005326800000000, -0.0002966400000000, -0.0002054900000000 ] - [ 0.0059312300000000, 0.0070626800000000, 0.0028292700000000 ] - [ -0.0006913500000000, 0.0004144200000000, -0.0000999200000000 ]- atom: 81 displacement: [ -0.0004367987813524, 0.0000000000000000, 0.0099904557866300 ] forces: - [ 0.0021226900000000, 0.0013767000000000, -0.0037677400000000 ] - [ 0.0001970000000000, -0.0002764300000000, -0.0004857200000000 ] - [ 0.0006706600000000, -0.0002444200000000, -0.0013604500000000 ] - [ 0.0002120900000000, -0.0002387700000000, -0.0004726400000000 ] - [ -0.0006277400000000, -0.0025661100000000, 0.0010310400000000 ] - [ -0.0002159800000000, -0.0005273600000000, 0.0005707200000000 ] - [ -0.0026436400000000, 0.0030626400000000, 0.0030946600000000 ] - [ -0.0000005600000000, -0.0002305100000000, 0.0004432600000000 ] - [ 0.0008540200000000, 0.0015605300000000, -0.0023065500000000 ] - [ -0.0001078100000000, 0.0002083400000000, -0.0000255100000000 ] - [ 0.0004005300000000, -0.0000636900000000, -0.0006401500000000 ] - [ -0.0000413500000000, 0.0001090300000000, 0.0000464100000000 ] - [ -0.0014839500000000, 0.0251095700000000, 0.0583557400000000 ] - [ 0.0000649600000000, 0.0001682000000000, -0.0000362500000000 ] - [ -0.0013619300000000, 0.0000426300000000, 0.0024127700000000 ] - [ 0.0000484500000000, 0.0002600900000000, -0.0000027000000000 ] - [ 0.0012385900000000, 0.0032588000000000, -0.0027837300000000 ] - [ 0.0002501600000000, 0.0005233500000000, -0.0002052200000000 ] - [ 0.0005934200000000, -0.0002293300000000, -0.0010904700000000 ] - [ 0.0002403300000000, 0.0005063700000000, -0.0001744700000000 ] - [ -0.0008344700000000, 0.0007383200000000, 0.0025691600000000 ] - [ -0.0003852700000000, -0.0003494900000000, 0.0014246500000000 ] - [ -0.0008165000000000, 0.0009819700000000, 0.0013293400000000 ] - [ -0.0001722200000000, 0.0015647100000000, 0.0010650100000000 ] - [ 0.0003514100000000, -0.0004775900000000, -0.0012675900000000 ] - [ 0.0002423000000000, -0.0006574400000000, -0.0011165300000000 ] - [ 0.0002249400000000, -0.0003784600000000, -0.0008277500000000 ] - [ 0.0001120500000000, -0.0003748200000000, -0.0007717000000000 ] - [ -0.0006163500000000, -0.0025343800000000, 0.0015870800000000 ] - [ -0.0000513500000000, -0.0006632000000000, 0.0004992600000000 ] - [ 0.0027935200000000, 0.0034158600000000, -0.0030707600000000 ] - [ -0.0000774200000000, -0.0003858700000000, 0.0004705500000000 ] - [ -0.0010033200000000, -0.0017342800000000, -0.0006911200000000 ] - [ 0.0019710700000000, -0.0020343700000000, -0.0010881700000000 ] - [ -0.0003772900000000, -0.0010261600000000, -0.0013025600000000 ] - [ 0.0002884400000000, -0.0002642800000000, -0.0010000800000000 ] - [ 0.0016690400000000, -0.0021975600000000, 0.0040771400000000 ] - [ -0.0003386300000000, -0.0005782100000000, 0.0004686700000000 ] - [ -0.0000648600000000, -0.0003622800000000, 0.0005451500000000 ] - [ -0.0002966700000000, -0.0005685500000000, 0.0004564900000000 ] - [ -0.0037994800000000, -0.0022077700000000, 0.0034858900000000 ] - [ 0.0001289500000000, 0.0003510200000000, 0.0002415600000000 ] - [ -0.0000884500000000, 0.0012079100000000, 0.0002947700000000 ] - [ -0.0000660800000000, 0.0005113900000000, 0.0002443900000000 ] - [ 0.0003417700000000, 0.0004082200000000, 0.0002774600000000 ] - [ -0.0001381300000000, 0.0005181300000000, 0.0002281600000000 ] - [ 0.0002776200000000, 0.0002257600000000, 0.0000715900000000 ] - [ -0.0001803500000000, 0.0002749600000000, 0.0001096200000000 ] - [ -0.0000554900000000, -0.0007127100000000, 0.0009284600000000 ] - [ -0.0003227200000000, 0.0005037700000000, -0.0000884800000000 ] - [ 0.0005751500000000, 0.0014109900000000, 0.0006475400000000 ] - [ -0.0003531600000000, 0.0005567500000000, -0.0001148700000000 ] - [ -0.0002321100000000, 0.0010482100000000, -0.0007043500000000 ] - [ 0.0016021400000000, 0.0013919100000000, -0.0009346800000000 ] - [ -0.0003067000000000, 0.0005470200000000, -0.0001274300000000 ] - [ 0.0003327200000000, 0.0001969100000000, -0.0001220300000000 ] - [ 0.0002877500000000, -0.0001782100000000, 0.0009996200000000 ] - [ -0.0003749900000000, -0.0001659400000000, 0.0010497300000000 ] - [ 0.0001999300000000, -0.0003038600000000, 0.0005833200000000 ] - [ -0.0001172400000000, -0.0003360600000000, 0.0006289500000000 ] - [ -0.0019477800000000, 0.0020297500000000, -0.0004366400000000 ] - [ 0.0002173000000000, -0.0001550700000000, -0.0003732800000000 ] - [ -0.0012690400000000, -0.0030325900000000, 0.0015985200000000 ] - [ 0.0000479900000000, -0.0004448100000000, -0.0003302100000000 ] - [ 0.0003545600000000, -0.0019630900000000, -0.0013016800000000 ] - [ 0.0000957200000000, -0.0001830100000000, 0.0001219300000000 ] - [ -0.0055101200000000, 0.0364929100000000, 0.0016738100000000 ] - [ 0.0000058200000000, -0.0001245900000000, 0.0001173900000000 ] - [ -0.0023539400000000, -0.0015686400000000, 0.0023246100000000 ] - [ 0.0001282300000000, -0.0001488300000000, -0.0000994600000000 ] - [ -0.0004962700000000, 0.0001526800000000, 0.0004192400000000 ] - [ 0.0000468000000000, -0.0001583300000000, -0.0001764100000000 ] - [ 0.0038179100000000, -0.0029249900000000, 0.0010129800000000 ] - [ -0.0002009800000000, -0.0000269600000000, -0.0003447500000000 ] - [ 0.0003595100000000, 0.0006836200000000, -0.0001700400000000 ] - [ -0.0000753700000000, 0.0000310200000000, -0.0003810800000000 ] - [ -0.0004804000000000, 0.0005029900000000, 0.0069069300000000 ] - [ -0.0000634400000000, 0.0000480500000000, 0.0004285400000000 ] - [ -0.0000893300000000, -0.0003307500000000, 0.0012313800000000 ] - [ -0.0000763200000000, 0.0000040100000000, 0.0004161700000000 ] - [ 0.0128312700000000, -0.0338811900000000, -0.0808812900000000 ] - [ -0.0003550600000000, 0.0003245300000000, -0.0001502600000000 ] - [ 0.0002752600000000, 0.0004458900000000, -0.0013749500000000 ] - [ -0.0003816600000000, 0.0002136500000000, -0.0001176100000000 ] - [ 0.0001858100000000, -0.0006394200000000, 0.0009738600000000 ] - [ 0.0004546600000000, 0.0002493100000000, 0.0001992200000000 ] - [ -0.0002068100000000, 0.0005266200000000, 0.0009543600000000 ] - [ 0.0004873800000000, 0.0003757400000000, 0.0002006500000000 ] - [ 0.0027572500000000, 0.0023840600000000, -0.0013009100000000 ] - [ 0.0000851700000000, 0.0000344900000000, -0.0004355600000000 ] - [ 0.0006312500000000, -0.0019288600000000, -0.0015669700000000 ] - [ 0.0001291100000000, -0.0002603500000000, -0.0002793300000000 ] - [ -0.0004452200000000, -0.0011909300000000, 0.0021925500000000 ] - [ -0.0003439300000000, -0.0001961400000000, 0.0002163000000000 ] - [ -0.0003701400000000, -0.0001519700000000, 0.0007692600000000 ] - [ -0.0003561500000000, -0.0002272500000000, 0.0001970000000000 ] - [ 0.0003192500000000, 0.0012429100000000, -0.0031165900000000 ] - [ 0.0000303100000000, -0.0000683500000000, -0.0007039600000000 ] - [ -0.0089426900000000, -0.0229061200000000, -0.0067073200000000 ] - [ 0.0000321200000000, -0.0001028000000000, -0.0006835300000000 ] - [ -0.0008308500000000, 0.0000818200000000, 0.0021494700000000 ] - [ -0.0000636700000000, -0.0000872800000000, 0.0011329300000000 ] - [ -0.0004231500000000, 0.0001197400000000, 0.0012203200000000 ] - [ -0.0001139700000000, -0.0001265900000000, 0.0008844200000000 ] - [ 0.0021563900000000, -0.0002859000000000, -0.0020457600000000 ] - [ 0.0000052100000000, 0.0002261900000000, -0.0007378000000000 ] - [ 0.0007385100000000, 0.0009489200000000, -0.0011556900000000 ] - [ 0.0002080700000000, -0.0000131300000000, -0.0005933300000000 ] - [ -0.0019891900000000, -0.0000221600000000, 0.0028400400000000 ] - [ -0.0001154300000000, 0.0001534600000000, -0.0000164500000000 ] - [ -0.0004261500000000, 0.0003563100000000, 0.0010089300000000 ] - [ -0.0001198500000000, 0.0001384800000000, -0.0000400500000000 ] - [ -0.0004050700000000, -0.0008474400000000, -0.0012966600000000 ] - [ 0.0004639700000000, -0.0002406300000000, -0.0004404600000000 ] - [ -0.0001589800000000, 0.0004249500000000, -0.0021692100000000 ] - [ 0.0005211600000000, -0.0001979900000000, -0.0005136400000000 ] - [ 0.0002723800000000, 0.0013901300000000, 0.0105853000000000 ] - [ -0.0002203300000000, -0.0002892500000000, 0.0002753200000000 ] - [ -0.0010374000000000, 0.0008760400000000, 0.0002852700000000 ] - [ -0.0002053600000000, -0.0001728300000000, 0.0002554600000000 ] - [ 0.0002340600000000, -0.0013655400000000, -0.0070866700000000 ] - [ -0.0002835000000000, 0.0002030700000000, 0.0000469600000000 ] - [ -0.0001870900000000, 0.0006447200000000, -0.0007811100000000 ] - [ -0.0002808400000000, 0.0002717100000000, 0.0000200800000000 ] - [ -0.0011032600000000, -0.0006956800000000, 0.0060465300000000 ] - [ -0.0001793200000000, 0.0001225300000000, 0.0002517900000000 ] - [ 0.0025683200000000, -0.0014824100000000, 0.0014568800000000 ] - [ 0.0001730300000000, 0.0003533100000000, 0.0001487300000000 ] - [ 0.0002234600000000, -0.0006545700000000, -0.0014228000000000 ] - [ -0.0004837400000000, -0.0001126200000000, -0.0003112200000000 ] - [ -0.0000131200000000, 0.0005754700000000, -0.0022982000000000 ] - [ -0.0005375900000000, 0.0000353000000000, -0.0003609200000000 ] - [ -0.0015017400000000, -0.0004200900000000, -0.0001308500000000 ] - [ 0.0026757700000000, -0.0005572000000000, -0.0000345100000000 ] - [ -0.0001418700000000, 0.0001009300000000, 0.0001612600000000 ] - [ 0.0013522900000000, 0.0004893400000000, 0.0001365500000000 ] - [ 0.0013861400000000, -0.0001690300000000, -0.0002717800000000 ] - [ -0.0011774300000000, -0.0004864900000000, -0.0003809300000000 ] - [ 0.0007244500000000, 0.0001325400000000, -0.0002286900000000 ] - [ -0.0002613200000000, 0.0005011600000000, -0.0002854100000000 ] - [ 0.0008328000000000, -0.0015380600000000, 0.0066929800000000 ] - [ 0.0000571800000000, -0.0000226100000000, 0.0001043900000000 ] - [ -0.0023991100000000, -0.0007779900000000, 0.0021505600000000 ] - [ -0.0000013500000000, 0.0001202500000000, 0.0000666500000000 ]- atom: 81 displacement: [ 0.0004367987813524, 0.0000000000000000, -0.0099904557866300 ] forces: - [ -0.0019009800000000, -0.0018832300000000, 0.0032794700000000 ] - [ 0.0000397700000000, -0.0002033600000000, -0.0000258200000000 ] - [ -0.0004367100000000, -0.0002251100000000, 0.0008510000000000 ] - [ 0.0000245300000000, -0.0002392000000000, -0.0000390200000000 ] - [ 0.0003981300000000, 0.0021194300000000, -0.0005222300000000 ] - [ -0.0000196200000000, 0.0000505400000000, -0.0000599100000000 ] - [ 0.0024243100000000, -0.0035686800000000, -0.0026195400000000 ] - [ -0.0002302200000000, -0.0002495600000000, 0.0000631000000000 ] - [ -0.0010893100000000, -0.0010771700000000, 0.0028161900000000 ] - [ -0.0001308800000000, 0.0002703000000000, 0.0005389700000000 ] - [ -0.0006417100000000, 0.0005438900000000, 0.0011584700000000 ] - [ -0.0001944700000000, 0.0003704000000000, 0.0004653300000000 ] - [ 0.0016197700000000, -0.0258698800000000, -0.0593231800000000 ] - [ 0.0001708600000000, 0.0003095900000000, -0.0004773200000000 ] - [ 0.0016042500000000, 0.0004699900000000, -0.0029324400000000 ] - [ 0.0001872500000000, 0.0002208400000000, -0.0005105600000000 ] - [ -0.0010221900000000, -0.0022039800000000, 0.0030198100000000 ] - [ -0.0000302600000000, 0.0005185400000000, 0.0004390400000000 ] - [ -0.0003788200000000, 0.0012808300000000, 0.0013317900000000 ] - [ -0.0000213300000000, 0.0005366500000000, 0.0004079500000000 ] - [ 0.0006061200000000, 0.0002953200000000, -0.0028034300000000 ] - [ 0.0001762700000000, 0.0013858400000000, -0.0016630500000000 ] - [ 0.0006049400000000, 0.0000631700000000, -0.0015738500000000 ] - [ -0.0000466600000000, -0.0005111600000000, -0.0013010900000000 ] - [ -0.0005682100000000, -0.0005676300000000, 0.0010353200000000 ] - [ -0.0004640800000000, -0.0003883600000000, 0.0008842800000000 ] - [ -0.0004466500000000, -0.0006627600000000, 0.0005984800000000 ] - [ -0.0003316200000000, -0.0006634100000000, 0.0005396800000000 ] - [ 0.0008343700000000, 0.0015193600000000, -0.0013546400000000 ] - [ 0.0002729100000000, -0.0003770500000000, -0.0002693300000000 ] - [ -0.0024960900000000, -0.0045300400000000, 0.0031519600000000 ] - [ 0.0002974800000000, -0.0006583600000000, -0.0002412300000000 ] - [ 0.0013396400000000, 0.0007147400000000, 0.0000118500000000 ] - [ -0.0016288200000000, 0.0010019400000000, 0.0004031900000000 ] - [ 0.0007211300000000, 0.0000048200000000, 0.0006199400000000 ] - [ 0.0000326500000000, -0.0007564300000000, 0.0003126900000000 ] - [ -0.0019839900000000, 0.0011744700000000, -0.0033717000000000 ] - [ 0.0000053200000000, -0.0004453100000000, 0.0002140200000000 ] - [ -0.0002675000000000, -0.0006705000000000, 0.0001327900000000 ] - [ -0.0000363700000000, -0.0004567900000000, 0.0002266700000000 ] - [ 0.0034977400000000, 0.0033134800000000, -0.0027897100000000 ] - [ -0.0004642100000000, 0.0006758000000000, 0.0004437500000000 ] - [ -0.0002442800000000, -0.0002030800000000, 0.0003860300000000 ] - [ -0.0002682400000000, 0.0005112900000000, 0.0004394100000000 ] - [ -0.0000136400000000, 0.0006164100000000, -0.0009643200000000 ] - [ 0.0004751600000000, 0.0005082500000000, -0.0009142600000000 ] - [ 0.0000550200000000, 0.0007999700000000, -0.0007577400000000 ] - [ 0.0005118600000000, 0.0007480400000000, -0.0007927300000000 ] - [ -0.0002099700000000, 0.0015549800000000, -0.0014142800000000 ] - [ 0.0000530800000000, 0.0003473800000000, -0.0003933500000000 ] - [ -0.0008517100000000, -0.0005623200000000, -0.0011442300000000 ] - [ 0.0000844500000000, 0.0002948400000000, -0.0003671700000000 ] - [ 0.0005030400000000, -0.0001909100000000, 0.0011817700000000 ] - [ -0.0013404200000000, -0.0005317500000000, 0.0014074200000000 ] - [ 0.0005777200000000, 0.0002992400000000, 0.0006093700000000 ] - [ -0.0000720100000000, 0.0006423800000000, 0.0006024700000000 ] - [ -0.0000219000000000, -0.0006709100000000, -0.0005211700000000 ] - [ 0.0006453100000000, -0.0006822600000000, -0.0005700700000000 ] - [ 0.0000674600000000, -0.0005508200000000, -0.0001051300000000 ] - [ 0.0003893500000000, -0.0005208400000000, -0.0001493400000000 ] - [ 0.0017047800000000, -0.0029015200000000, -0.0000388800000000 ] - [ -0.0004902500000000, -0.0006985200000000, -0.0001055900000000 ] - [ 0.0009676800000000, 0.0021700100000000, -0.0020257600000000 ] - [ -0.0003174500000000, -0.0004068100000000, -0.0001483300000000 ] - [ -0.0003656300000000, 0.0017824800000000, 0.0018371500000000 ] - [ -0.0001047400000000, 0.0000137800000000, 0.0004102200000000 ] - [ 0.0054595600000000, -0.0365180700000000, -0.0013476600000000 ] - [ -0.0000161600000000, -0.0000435600000000, 0.0004150700000000 ] - [ 0.0023497400000000, 0.0014002300000000, -0.0028495900000000 ] - [ -0.0001193400000000, -0.0000188800000000, -0.0004360600000000 ] - [ 0.0005087900000000, -0.0003273500000000, -0.0009600400000000 ] - [ -0.0000383700000000, -0.0000115500000000, -0.0003583200000000 ] - [ -0.0038414200000000, 0.0031309800000000, -0.0015500300000000 ] - [ 0.0002083500000000, 0.0001987500000000, -0.0001849100000000 ] - [ -0.0003495700000000, -0.0005310000000000, -0.0003650300000000 ] - [ 0.0000834300000000, 0.0001365200000000, -0.0001515600000000 ] - [ 0.0004753400000000, -0.0003390600000000, -0.0064515600000000 ] - [ 0.0000543300000000, 0.0001212500000000, 0.0001038100000000 ] - [ 0.0000839300000000, 0.0004991900000000, -0.0006957300000000 ] - [ 0.0000668100000000, 0.0001648400000000, 0.0001163400000000 ] - [ -0.0133906900000000, 0.0361128100000000, 0.0825056300000000 ] - [ -0.0003317400000000, 0.0001463100000000, 0.0002506700000000 ] - [ -0.0009613600000000, -0.0000059600000000, 0.0014775300000000 ] - [ -0.0003052500000000, 0.0002542900000000, 0.0002182800000000 ] - [ 0.0004981200000000, 0.0011046400000000, -0.0010778400000000 ] - [ 0.0002321300000000, 0.0002202100000000, -0.0003011000000000 ] - [ 0.0008957500000000, -0.0000559000000000, -0.0010627200000000 ] - [ 0.0001976400000000, 0.0000943500000000, -0.0003026000000000 ] - [ -0.0021019400000000, -0.0028827100000000, 0.0012049000000000 ] - [ 0.0006026000000000, -0.0005051300000000, 0.0003359100000000 ] - [ 0.0000645100000000, 0.0014701300000000, 0.0014831000000000 ] - [ 0.0005542300000000, -0.0002098400000000, 0.0001799700000000 ] - [ -0.0002382400000000, 0.0007427900000000, -0.0021049100000000 ] - [ -0.0003427800000000, -0.0002731000000000, -0.0001167100000000 ] - [ -0.0003149200000000, -0.0003272900000000, -0.0006715500000000 ] - [ -0.0003303700000000, -0.0002438100000000, -0.0000975600000000 ] - [ -0.0003720200000000, -0.0015000300000000, 0.0024575000000000 ] - [ -0.0000883400000000, -0.0001651800000000, 0.0000388900000000 ] - [ 0.0088515200000000, 0.0225739100000000, 0.0062647100000000 ] - [ -0.0000894500000000, -0.0001290400000000, 0.0000179300000000 ] - [ 0.0008845700000000, -0.0003133000000000, -0.0014814800000000 ] - [ 0.0001231900000000, -0.0001446500000000, -0.0004684900000000 ] - [ 0.0004835300000000, -0.0003554600000000, -0.0005592900000000 ] - [ 0.0001707700000000, -0.0001078400000000, -0.0002186400000000 ] - [ -0.0020954800000000, 0.0005194900000000, 0.0027316900000000 ] - [ 0.0000481800000000, 0.0000080900000000, 0.0014103600000000 ] - [ -0.0006884000000000, -0.0007281700000000, 0.0018342600000000 ] - [ -0.0001516700000000, 0.0002424900000000, 0.0012615300000000 ] - [ 0.0019421000000000, 0.0002526400000000, -0.0035202200000000 ] - [ 0.0000578800000000, 0.0000797200000000, -0.0006522700000000 ] - [ 0.0003739100000000, -0.0001268400000000, -0.0016839600000000 ] - [ 0.0000628700000000, 0.0000944600000000, -0.0006287600000000 ] - [ 0.0009591500000000, 0.0003912600000000, 0.0010001400000000 ] - [ 0.0000807600000000, -0.0002265100000000, 0.0001367400000000 ] - [ 0.0007067800000000, -0.0009048300000000, 0.0018732000000000 ] - [ 0.0000253300000000, -0.0002727900000000, 0.0002094000000000 ] - [ -0.0009012500000000, -0.0022468700000000, -0.0111443900000000 ] - [ -0.0003240100000000, -0.0001810000000000, 0.0000263500000000 ] - [ 0.0004773700000000, -0.0013160300000000, -0.0000010000000000 ] - [ -0.0003387500000000, -0.0002949300000000, 0.0000464400000000 ] - [ -0.0007732600000000, 0.0017812300000000, 0.0074036900000000 ] - [ -0.0002614600000000, 0.0002639900000000, 0.0002574000000000 ] - [ -0.0003586800000000, -0.0001641200000000, 0.0010866800000000 ] - [ -0.0002645600000000, 0.0001980600000000, 0.0002839100000000 ] - [ 0.0016165900000000, 0.0011086500000000, -0.0063948300000000 ] - [ 0.0007262800000000, 0.0003425100000000, -0.0005557100000000 ] - [ -0.0020565700000000, 0.0019880700000000, -0.0017675200000000 ] - [ 0.0003778500000000, 0.0001184900000000, -0.0004524700000000 ] - [ -0.0008861300000000, 0.0005608500000000, 0.0012283700000000 ] - [ -0.0001649900000000, 0.0000077600000000, 0.0001120700000000 ] - [ -0.0006432900000000, -0.0006942100000000, 0.0020939800000000 ] - [ -0.0001117900000000, -0.0001437400000000, 0.0001612800000000 ] - [ 0.0021707500000000, 0.0003076700000000, 0.0003278400000000 ] - [ -0.0020337900000000, 0.0004421600000000, 0.0002295200000000 ] - [ 0.0007950000000000, -0.0002028300000000, 0.0000350500000000 ] - [ -0.0006945500000000, -0.0005840700000000, 0.0000591000000000 ] - [ -0.0007355200000000, 0.0002687100000000, 0.0004772600000000 ] - [ 0.0018283200000000, 0.0005826800000000, 0.0005865300000000 ] - [ -0.0000716900000000, -0.0000220800000000, 0.0004305400000000 ] - [ 0.0009126000000000, -0.0003877300000000, 0.0004855000000000 ] - [ -0.0014021800000000, 0.0015340900000000, -0.0068736500000000 ] - [ -0.0007094200000000, 0.0001279400000000, -0.0003038800000000 ] - [ 0.0017808700000000, 0.0009241800000000, -0.0023301600000000 ] - [ -0.0006533900000000, -0.0000123100000000, -0.0002660500000000 ]- atom: 97 displacement: [ 0.0099996587985401, 0.0000000000000000, -0.0000826069777877 ] forces: - [ 0.0002000300000000, -0.0009724900000000, 0.0005124900000000 ] - [ -0.0003625500000000, -0.0002194700000000, 0.0002059900000000 ] - [ 0.0003212600000000, 0.0001894500000000, 0.0001156900000000 ] - [ -0.0003083500000000, -0.0000876900000000, 0.0001209300000000 ] - [ -0.0021314500000000, -0.0025637500000000, -0.0007314300000000 ] - [ -0.0015347100000000, -0.0002117900000000, 0.0012230400000000 ] - [ 0.0001889600000000, -0.0005894500000000, -0.0003430800000000 ] - [ -0.0002681400000000, -0.0003063900000000, 0.0002928000000000 ] - [ -0.0005276900000000, 0.0008126500000000, 0.0011384400000000 ] - [ -0.0004089700000000, 0.0002636700000000, 0.0005394000000000 ] - [ -0.0006098200000000, -0.0005652200000000, 0.0014881500000000 ] - [ -0.0003125800000000, 0.0005475300000000, 0.0004862700000000 ] - [ 0.0009751600000000, 0.0005500000000000, -0.0013185000000000 ] - [ -0.0003110200000000, -0.0000046100000000, -0.0000391900000000 ] - [ 0.0713059100000000, 0.0282687000000000, -0.0336960500000000 ] - [ -0.0006338800000000, 0.0002017400000000, 0.0001927000000000 ] - [ 0.0000917500000000, 0.0015255200000000, 0.0007948900000000 ] - [ -0.0003234700000000, 0.0006581800000000, 0.0005728700000000 ] - [ 0.0000466600000000, -0.0003808000000000, 0.0008633000000000 ] - [ -0.0002640200000000, 0.0004791200000000, 0.0005392000000000 ] - [ -0.0001444100000000, 0.0006939600000000, -0.0002522500000000 ] - [ -0.0000347800000000, -0.0005647700000000, -0.0005542000000000 ] - [ -0.0015363800000000, -0.0000484000000000, 0.0007381100000000 ] - [ -0.0020483900000000, 0.0036271000000000, -0.0009063500000000 ] - [ -0.0002387200000000, -0.0003168300000000, 0.0001452900000000 ] - [ -0.0005018300000000, -0.0017152400000000, 0.0010119300000000 ] - [ -0.0002834600000000, -0.0007859800000000, 0.0001701400000000 ] - [ -0.0005753200000000, 0.0004971200000000, 0.0008610100000000 ] - [ 0.0783604100000000, -0.0069185100000000, -0.0582776200000000 ] - [ -0.0005818200000000, -0.0006493900000000, 0.0004836900000000 ] - [ 0.0013746000000000, -0.0010420800000000, -0.0020389600000000 ] - [ -0.0002565100000000, -0.0005692900000000, 0.0003923500000000 ] - [ 0.0017365200000000, -0.0005663400000000, -0.0006112700000000 ] - [ 0.0033606600000000, -0.0009773500000000, 0.0022405000000000 ] - [ 0.0008233700000000, -0.0002931200000000, -0.0004115700000000 ] - [ -0.0006256100000000, 0.0003343900000000, 0.0000628600000000 ] - [ -0.0008207800000000, -0.0002666300000000, 0.0011512600000000 ] - [ 0.0003415500000000, -0.0005361300000000, 0.0001769700000000 ] - [ -0.0016966500000000, 0.0002177500000000, -0.0006495900000000 ] - [ 0.0004625300000000, -0.0004123200000000, 0.0001671300000000 ] - [ -0.0016793200000000, 0.0018891100000000, 0.0009146400000000 ] - [ 0.0005342200000000, 0.0004663900000000, 0.0003214800000000 ] - [ -0.0059000200000000, -0.0148483100000000, -0.0201992400000000 ] - [ 0.0006156700000000, 0.0005480500000000, 0.0003729400000000 ] - [ 0.0004094300000000, 0.0004359600000000, -0.0001918400000000 ] - [ 0.0014081500000000, 0.0013301500000000, -0.0017293100000000 ] - [ 0.0003265400000000, 0.0008152300000000, -0.0003727400000000 ] - [ 0.0002114800000000, -0.0000912000000000, -0.0007490200000000 ] - [ -0.0019236700000000, -0.0006705400000000, -0.0008727800000000 ] - [ 0.0005750300000000, 0.0002001000000000, -0.0004557100000000 ] - [ -0.0006724600000000, 0.0010436400000000, -0.0006817700000000 ] - [ 0.0003802200000000, 0.0003376100000000, -0.0004095200000000 ] - [ 0.0010734800000000, 0.0000617300000000, 0.0001532200000000 ] - [ 0.0002066800000000, 0.0012548000000000, 0.0006664900000000 ] - [ 0.0012743500000000, 0.0010701600000000, -0.0001938600000000 ] - [ -0.0002586900000000, -0.0017059100000000, 0.0014913600000000 ] - [ 0.0003816200000000, -0.0007236900000000, 0.0002692300000000 ] - [ 0.0000961700000000, 0.0003721400000000, -0.0003933000000000 ] - [ 0.0005451600000000, -0.0004261300000000, 0.0004080400000000 ] - [ 0.0012155800000000, -0.0014067500000000, -0.0008088600000000 ] - [ 0.0087193400000000, 0.0184757900000000, -0.0381051800000000 ] - [ 0.0007708900000000, -0.0003028600000000, -0.0002117300000000 ] - [ -0.0012008000000000, -0.0011917600000000, 0.0004181400000000 ] - [ 0.0005169100000000, -0.0002312800000000, -0.0002607700000000 ] - [ 0.0150375800000000, 0.0016237900000000, -0.0452960500000000 ] - [ 0.0009327000000000, -0.0002324500000000, 0.0002216900000000 ] - [ -0.0006368700000000, 0.0006983100000000, 0.0003414100000000 ] - [ 0.0005151800000000, -0.0001224900000000, 0.0002655200000000 ] - [ 0.0001242800000000, -0.0007966200000000, -0.0013054000000000 ] - [ 0.0004134000000000, 0.0002104200000000, -0.0002103400000000 ] - [ 0.0007712900000000, 0.0009089900000000, -0.0016523300000000 ] - [ 0.0003840200000000, -0.0001070000000000, -0.0001690000000000 ] - [ -0.0005510000000000, 0.0003670900000000, 0.0001810600000000 ] - [ 0.0007444200000000, 0.0003177400000000, -0.0003043700000000 ] - [ 0.0007341500000000, 0.0014356600000000, 0.0020536500000000 ] - [ 0.0010715800000000, -0.0003024400000000, -0.0008307300000000 ] - [ -0.0017973000000000, 0.0006352000000000, -0.0006613700000000 ] - [ 0.0006930100000000, 0.0002574100000000, 0.0000584100000000 ] - [ -0.0006472200000000, 0.0000477100000000, 0.0003442100000000 ] - [ 0.0005233100000000, 0.0001414200000000, 0.0000956700000000 ] - [ -0.0020654100000000, -0.0010633000000000, 0.0003436900000000 ] - [ 0.0003771300000000, 0.0004155700000000, 0.0001438900000000 ] - [ -0.0048806100000000, 0.0255290000000000, -0.0090017300000000 ] - [ 0.0003672700000000, 0.0001802900000000, 0.0001449000000000 ] - [ 0.0007486200000000, -0.0002691500000000, -0.0009068700000000 ] - [ 0.0006654600000000, 0.0001820100000000, -0.0001349800000000 ] - [ 0.0002810300000000, 0.0008754700000000, -0.0005147100000000 ] - [ 0.0005315500000000, 0.0000490200000000, -0.0001885200000000 ] - [ 0.0040003700000000, -0.0011292800000000, 0.0022492800000000 ] - [ 0.0017255800000000, -0.0000432100000000, -0.0000044100000000 ] - [ 0.0001377200000000, 0.0002144700000000, 0.0006690000000000 ] - [ 0.0008744900000000, -0.0004374500000000, 0.0001596100000000 ] - [ -0.0008116800000000, 0.0003101600000000, -0.0003819700000000 ] - [ 0.0001098500000000, -0.0002198600000000, -0.0000236900000000 ] - [ -0.0017756100000000, -0.0005169800000000, -0.0020058900000000 ] - [ 0.0002027700000000, -0.0003459100000000, -0.0000150800000000 ] - [ -0.1747899400000000, -0.0545441500000000, 0.1985518900000000 ] - [ 0.0007775800000000, 0.0000189400000000, -0.0007057600000000 ] - [ -0.0013687500000000, -0.0000122400000000, 0.0014465700000000 ] - [ 0.0005053600000000, 0.0000188300000000, -0.0005767300000000 ] - [ 0.0003350000000000, -0.0004587500000000, -0.0002874500000000 ] - [ 0.0004319200000000, 0.0001010100000000, -0.0005035800000000 ] - [ 0.0003351300000000, -0.0000742000000000, -0.0003390700000000 ] - [ 0.0004324000000000, -0.0004490500000000, -0.0004211600000000 ] - [ 0.0000638100000000, -0.0001622200000000, 0.0006700600000000 ] - [ 0.0002045600000000, 0.0005909900000000, 0.0007880000000000 ] - [ 0.0011577900000000, 0.0005880700000000, 0.0001259900000000 ] - [ 0.0010647500000000, -0.0001647900000000, 0.0003409900000000 ] - [ -0.0005993700000000, 0.0002167500000000, -0.0012749500000000 ] - [ 0.0005169200000000, -0.0000182600000000, -0.0007971100000000 ] - [ -0.0000897500000000, 0.0002060300000000, -0.0008923500000000 ] - [ 0.0004509100000000, 0.0000030200000000, -0.0007585200000000 ] - [ 0.0013671400000000, 0.0000784400000000, -0.0005916500000000 ] - [ -0.0009793300000000, -0.0001299100000000, 0.0003715500000000 ] - [ 0.0008866400000000, -0.0003299700000000, -0.0000675900000000 ] - [ -0.0004682200000000, -0.0003782800000000, 0.0001018100000000 ] - [ 0.0064177200000000, 0.0006251900000000, -0.0032083400000000 ] - [ -0.0016904100000000, -0.0003732900000000, 0.0001435500000000 ] - [ 0.0042898100000000, -0.0008731300000000, -0.0041429500000000 ] - [ -0.0015453300000000, -0.0000665400000000, 0.0001249100000000 ] - [ 0.0007277600000000, -0.0000052600000000, 0.0009458300000000 ] - [ -0.0010460400000000, 0.0001598900000000, 0.0001675500000000 ] - [ 0.0011538700000000, -0.0008457100000000, 0.0055453400000000 ] - [ -0.0012411300000000, 0.0002982200000000, 0.0000643600000000 ] - [ -0.0033075000000000, 0.0044990400000000, 0.0006802900000000 ] - [ -0.0012968300000000, -0.0006437900000000, -0.0006357900000000 ] - [ -0.0023667100000000, -0.0023909600000000, 0.0002086400000000 ] - [ -0.0004978800000000, 0.0008081700000000, -0.0005316600000000 ] - [ 0.0007533500000000, 0.0005645900000000, 0.0049445400000000 ] - [ -0.0012680100000000, -0.0000041000000000, -0.0002835400000000 ] - [ 0.0005749300000000, -0.0003513200000000, 0.0005503300000000 ] - [ -0.0010585800000000, -0.0000397600000000, -0.0001916700000000 ] - [ -0.0008271700000000, 0.0007769800000000, -0.0006762500000000 ] - [ -0.0032073800000000, -0.0040760700000000, 0.0005377600000000 ] - [ -0.0007813500000000, -0.0007885300000000, -0.0004886000000000 ] - [ -0.0021150200000000, 0.0026219100000000, 0.0004234200000000 ] - [ -0.0003179900000000, 0.0001682900000000, 0.0004190700000000 ] - [ 0.0007969000000000, -0.0004563100000000, 0.0000991000000000 ] - [ -0.0010383700000000, -0.0000792200000000, 0.0008305900000000 ] - [ 0.0014495300000000, 0.0005942800000000, -0.0007357400000000 ] - [ 0.0080379400000000, 0.0030018900000000, 0.0002755600000000 ] - [ -0.0018211800000000, 0.0001754100000000, -0.0001165400000000 ] - [ 0.0038921900000000, -0.0010714800000000, 0.0001238500000000 ] - [ -0.0015767100000000, -0.0001474500000000, -0.0001564100000000 ]- atom: 97 displacement: [ -0.0099996587985401, 0.0000000000000000, 0.0000826069777877 ] forces: - [ 0.0000355100000000, 0.0004931800000000, -0.0010221000000000 ] - [ 0.0005991500000000, -0.0002598400000000, -0.0007174900000000 ] - [ -0.0000845800000000, -0.0006678100000000, -0.0006262600000000 ] - [ 0.0005448800000000, -0.0003905900000000, -0.0006324600000000 ] - [ 0.0019256800000000, 0.0021014600000000, 0.0012419900000000 ] - [ 0.0012939700000000, -0.0002719800000000, -0.0007005600000000 ] - [ -0.0004247200000000, 0.0001082600000000, 0.0008553500000000 ] - [ 0.0000336900000000, -0.0001725800000000, 0.0002187700000000 ] - [ 0.0002903700000000, -0.0003345900000000, -0.0006253700000000 ] - [ 0.0001743500000000, 0.0002128500000000, -0.0000304100000000 ] - [ 0.0003711700000000, 0.0010432900000000, -0.0009727300000000 ] - [ 0.0000783900000000, -0.0000675200000000, 0.0000218300000000 ] - [ -0.0007373200000000, -0.0000644200000000, 0.0008057400000000 ] - [ 0.0005460500000000, 0.0004825800000000, -0.0004723100000000 ] - [ -0.0723454900000000, -0.0299301900000000, 0.0358497200000000 ] - [ 0.0008678400000000, 0.0002781800000000, -0.0007033700000000 ] - [ 0.0001281900000000, -0.0004863000000000, -0.0005619800000000 ] - [ 0.0005430100000000, 0.0003839400000000, -0.0003399000000000 ] - [ 0.0001732700000000, 0.0014243200000000, -0.0006312700000000 ] - [ 0.0004833100000000, 0.0005641000000000, -0.0003062700000000 ] - [ -0.0000749400000000, 0.0003452100000000, 0.0000180400000000 ] - [ -0.0001842500000000, 0.0016107200000000, 0.0003221600000000 ] - [ 0.0013194500000000, 0.0010925300000000, -0.0009780100000000 ] - [ 0.0017946600000000, -0.0025650500000000, 0.0006660300000000 ] - [ 0.0000179400000000, -0.0007277600000000, -0.0003757800000000 ] - [ 0.0002833900000000, 0.0006748000000000, -0.0012469700000000 ] - [ 0.0000623500000000, -0.0002545200000000, -0.0004001900000000 ] - [ 0.0003586200000000, -0.0015431200000000, -0.0010979600000000 ] - [ -0.0771224500000000, 0.0054859000000000, 0.0550776000000000 ] - [ 0.0008021800000000, -0.0003919600000000, -0.0002512600000000 ] - [ -0.0011545100000000, 0.0000003000000000, 0.0022718200000000 ] - [ 0.0004759700000000, -0.0004737700000000, -0.0001602800000000 ] - [ -0.0014028300000000, -0.0004580500000000, -0.0000696400000000 ] - [ -0.0029886000000000, -0.0000391400000000, -0.0028896400000000 ] - [ -0.0004850700000000, -0.0007272200000000, -0.0002718200000000 ] - [ 0.0009584600000000, -0.0013625300000000, -0.0007476900000000 ] - [ 0.0004888000000000, -0.0007572800000000, -0.0004688200000000 ] - [ -0.0006740500000000, -0.0004880500000000, 0.0005075500000000 ] - [ 0.0013607300000000, -0.0012437800000000, 0.0013345700000000 ] - [ -0.0007946500000000, -0.0006129800000000, 0.0005177000000000 ] - [ 0.0013459800000000, -0.0008658700000000, -0.0002285100000000 ] - [ -0.0008687000000000, 0.0005592800000000, 0.0003627800000000 ] - [ 0.0053520100000000, 0.0158727800000000, 0.0208703500000000 ] - [ -0.0009498000000000, 0.0004759400000000, 0.0003106600000000 ] - [ -0.0000767600000000, 0.0005905200000000, -0.0004950800000000 ] - [ -0.0010774200000000, -0.0003081200000000, 0.0010473600000000 ] - [ 0.0000074700000000, 0.0002087600000000, -0.0003126100000000 ] - [ 0.0001203600000000, 0.0011175600000000, 0.0000660900000000 ] - [ 0.0016533200000000, 0.0015269200000000, 0.0003926800000000 ] - [ -0.0008435700000000, 0.0006519100000000, -0.0000243300000000 ] - [ 0.0004022700000000, -0.0001925200000000, 0.0002019400000000 ] - [ -0.0006485900000000, 0.0005139100000000, -0.0000708500000000 ] - [ -0.0008029600000000, 0.0007924200000000, 0.0003267000000000 ] - [ 0.0000549300000000, -0.0004065200000000, -0.0001852900000000 ] - [ -0.0010035700000000, -0.0002219000000000, 0.0006761400000000 ] - [ 0.0005360800000000, 0.0025440100000000, -0.0010037100000000 ] - [ -0.0001116400000000, -0.0001269900000000, 0.0002097500000000 ] - [ 0.0001724400000000, -0.0012242600000000, 0.0008746800000000 ] - [ -0.0002766100000000, -0.0004277400000000, 0.0000695900000000 ] - [ -0.0009513600000000, 0.0005580500000000, 0.0012950700000000 ] - [ -0.0091229200000000, -0.0191642100000000, 0.0372928500000000 ] - [ -0.0010419900000000, -0.0005490900000000, -0.0002681000000000 ] - [ 0.0009321400000000, 0.0003415300000000, -0.0008971900000000 ] - [ -0.0007861800000000, -0.0006209400000000, -0.0002185900000000 ] - [ -0.0150114300000000, -0.0018242200000000, 0.0463166600000000 ] - [ -0.0009387700000000, 0.0000630400000000, 0.0003109900000000 ] - [ 0.0006269200000000, -0.0008680900000000, 0.0001882100000000 ] - [ -0.0005234600000000, -0.0000469900000000, 0.0002674600000000 ] - [ -0.0001135600000000, 0.0006287400000000, 0.0007716800000000 ] - [ -0.0004051300000000, -0.0003784100000000, -0.0003205400000000 ] - [ -0.0007597900000000, -0.0010774100000000, 0.0011141000000000 ] - [ -0.0003747100000000, -0.0000637600000000, -0.0003605900000000 ] - [ 0.0005631100000000, -0.0001974600000000, -0.0007133800000000 ] - [ -0.0007375700000000, -0.0001484600000000, -0.0002281000000000 ] - [ -0.0007450100000000, -0.0012797100000000, -0.0026045800000000 ] - [ -0.0010625000000000, 0.0004701400000000, 0.0002924500000000 ] - [ 0.0017895800000000, -0.0004637800000000, 0.0011929700000000 ] - [ -0.0007027100000000, -0.0000882800000000, 0.0004739600000000 ] - [ 0.0006392600000000, 0.0001206300000000, 0.0001893900000000 ] - [ -0.0005328200000000, 0.0000273000000000, 0.0004368900000000 ] - [ 0.0013850600000000, 0.0015245000000000, -0.0002433300000000 ] - [ -0.0010625600000000, 0.0000555800000000, -0.0000438700000000 ] - [ 0.0044156200000000, -0.0250302500000000, 0.0091091100000000 ] - [ -0.0010525500000000, 0.0002882900000000, -0.0000444500000000 ] - [ -0.0000618800000000, 0.0007399600000000, 0.0008044600000000 ] - [ 0.0000209400000000, 0.0002897800000000, 0.0000368800000000 ] - [ 0.0004062300000000, -0.0004046800000000, 0.0004128200000000 ] - [ 0.0001536600000000, 0.0004202100000000, 0.0000888700000000 ] - [ -0.0033665300000000, 0.0006797900000000, -0.0023682500000000 ] - [ -0.0010386700000000, -0.0004230200000000, -0.0001000100000000 ] - [ 0.0005517300000000, -0.0006832100000000, -0.0007657300000000 ] - [ -0.0001905300000000, -0.0000321100000000, -0.0002624100000000 ] - [ 0.0001264000000000, -0.0007795700000000, 0.0004820400000000 ] - [ -0.0007966500000000, -0.0002497600000000, 0.0001243600000000 ] - [ 0.0010918100000000, 0.0000472400000000, 0.0021066900000000 ] - [ -0.0008893600000000, -0.0001245600000000, 0.0001158700000000 ] - [ 0.1751202000000000, 0.0566067300000000, -0.1986262500000000 ] - [ -0.0008345300000000, -0.0002509800000000, 0.0000388200000000 ] - [ 0.0013098700000000, -0.0002212200000000, -0.0021129100000000 ] - [ -0.0005621300000000, -0.0002505000000000, -0.0000899000000000 ] - [ -0.0002764200000000, 0.0002266000000000, 0.0009527800000000 ] - [ -0.0003767900000000, -0.0003328000000000, 0.0011734000000000 ] - [ -0.0002754600000000, -0.0001594200000000, 0.0010029400000000 ] - [ -0.0003776500000000, 0.0002170400000000, 0.0010932700000000 ] - [ -0.0000054900000000, 0.0003965300000000, -0.0000023600000000 ] - [ -0.0001488500000000, -0.0003594100000000, -0.0001211300000000 ] - [ -0.0011005900000000, -0.0003607400000000, 0.0005513200000000 ] - [ -0.0010000900000000, 0.0003958800000000, 0.0003164100000000 ] - [ 0.0005434100000000, 0.0000150200000000, 0.0006084000000000 ] - [ -0.0005741800000000, 0.0002511400000000, 0.0001299100000000 ] - [ 0.0000325200000000, 0.0000257500000000, 0.0002257200000000 ] - [ -0.0005079100000000, 0.0002296100000000, 0.0000912100000000 ] - [ -0.0008226400000000, -0.0005485000000000, 0.0002961000000000 ] - [ 0.0015286700000000, -0.0003386300000000, -0.0006756900000000 ] - [ -0.0003425200000000, -0.0001388900000000, -0.0002361100000000 ] - [ 0.0010161400000000, -0.0000907000000000, -0.0004058300000000 ] - [ -0.0069979900000000, -0.0010751200000000, 0.0034929900000000 ] - [ 0.0011457800000000, -0.0000967000000000, 0.0001607400000000 ] - [ -0.0048496100000000, 0.0004138300000000, 0.0044372600000000 ] - [ 0.0010004400000000, -0.0004009700000000, 0.0001794900000000 ] - [ -0.0012740300000000, 0.0004738100000000, -0.0006397700000000 ] - [ 0.0005002000000000, 0.0003086700000000, 0.0001356700000000 ] - [ -0.0016952900000000, 0.0013151000000000, -0.0052299700000000 ] - [ 0.0006938800000000, 0.0001710100000000, 0.0002375700000000 ] - [ 0.0038505200000000, -0.0040341000000000, -0.0009973100000000 ] - [ 0.0018381600000000, 0.0011049900000000, 0.0003329500000000 ] - [ 0.0029011700000000, 0.0028562800000000, -0.0005132800000000 ] - [ 0.0010411500000000, -0.0003344500000000, 0.0002288600000000 ] - [ -0.0014126800000000, -0.0006660700000000, -0.0051516700000000 ] - [ 0.0006175300000000, -0.0001016500000000, 0.0000851300000000 ] - [ -0.0012275200000000, 0.0002446400000000, -0.0007516200000000 ] - [ 0.0004067400000000, -0.0000668600000000, -0.0000072200000000 ] - [ 0.0014825600000000, -0.0008899400000000, 0.0008776000000000 ] - [ 0.0038672000000000, 0.0039740400000000, -0.0003371600000000 ] - [ 0.0014356100000000, 0.0006874800000000, 0.0006870200000000 ] - [ 0.0027794800000000, -0.0027335100000000, -0.0002151500000000 ] - [ 0.0009687000000000, -0.0000629000000000, -0.0002186500000000 ] - [ -0.0001423800000000, 0.0005635400000000, 0.0001005100000000 ] - [ 0.0016886800000000, 0.0001868000000000, -0.0006307100000000 ] - [ -0.0007948700000000, -0.0004865000000000, 0.0009249500000000 ] - [ -0.0086903000000000, -0.0028761700000000, -0.0004340600000000 ] - [ 0.0011679100000000, -0.0000701100000000, -0.0000835500000000 ] - [ -0.0045258500000000, 0.0011800600000000, -0.0003187600000000 ] - [ 0.0009223100000000, 0.0002548100000000, -0.0000432600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000982200000000, -0.0011092100000000, 0.0005487100000000 ] - [ -0.0000141100000000, -0.0002659600000000, -0.0001352400000000 ] - [ 0.0002297500000000, 0.0000561700000000, -0.0007571500000000 ] - [ 0.0000471100000000, -0.0001682900000000, -0.0001763900000000 ] - [ 0.0002304200000000, 0.0036715900000000, 0.0003900100000000 ] - [ -0.0002518000000000, 0.0009582100000000, 0.0002897300000000 ] - [ 0.0002473500000000, -0.0023977700000000, -0.0006248400000000 ] - [ -0.0003652300000000, -0.0012000100000000, 0.0002861700000000 ] - [ -0.0000501500000000, 0.0006041500000000, 0.0003175300000000 ] - [ -0.0003544800000000, 0.0005081100000000, 0.0003741700000000 ] - [ -0.0005362100000000, -0.0004397700000000, 0.0010355700000000 ] - [ -0.0000058700000000, -0.0000114300000000, 0.0002309000000000 ] - [ -0.0002522900000000, -0.0048271100000000, -0.0009965500000000 ] - [ 0.0000033500000000, -0.0000101500000000, -0.0002639800000000 ] - [ 0.0257191400000000, 0.0819878100000000, -0.0285236500000000 ] - [ -0.0000102900000000, 0.0004592700000000, -0.0001426100000000 ] - [ 0.0004371000000000, 0.0013321700000000, -0.0004304800000000 ] - [ 0.0000009300000000, 0.0005861600000000, 0.0002769300000000 ] - [ 0.0001031200000000, -0.0002317500000000, 0.0003703700000000 ] - [ 0.0000031900000000, 0.0004776900000000, 0.0002400300000000 ] - [ 0.0001442500000000, -0.0003057200000000, -0.0006330300000000 ] - [ -0.0004275700000000, -0.0015550800000000, -0.0000444800000000 ] - [ -0.0004701700000000, 0.0011959000000000, 0.0000505900000000 ] - [ 0.0004835100000000, 0.0036988000000000, -0.0000144800000000 ] - [ -0.0000643700000000, -0.0005801100000000, -0.0000302400000000 ] - [ -0.0003806700000000, -0.0010077500000000, 0.0002746200000000 ] - [ -0.0003165400000000, -0.0005278300000000, 0.0001470600000000 ] - [ 0.0001241900000000, -0.0007731000000000, -0.0002858300000000 ] - [ -0.0043317400000000, 0.0574086200000000, 0.0126251900000000 ] - [ 0.0000467900000000, -0.0002565200000000, 0.0001096700000000 ] - [ 0.0001460200000000, -0.0035671700000000, -0.0005237500000000 ] - [ 0.0000199600000000, -0.0007852400000000, 0.0000836200000000 ] - [ 0.0002639900000000, -0.0011335900000000, -0.0004139800000000 ] - [ 0.0017194500000000, -0.0026639600000000, -0.0000247000000000 ] - [ 0.0010306900000000, 0.0006520900000000, -0.0001612300000000 ] - [ -0.0005795800000000, 0.0011166600000000, -0.0000828200000000 ] - [ -0.0006044000000000, 0.0001932000000000, 0.0021650400000000 ] - [ -0.0000472800000000, -0.0004971700000000, 0.0002898800000000 ] - [ -0.0007595700000000, -0.0003960100000000, -0.0005916300000000 ] - [ 0.0000088400000000, -0.0005007000000000, 0.0002634900000000 ] - [ 0.0000975000000000, 0.0034611800000000, 0.0005536800000000 ] - [ -0.0001370000000000, 0.0007197100000000, 0.0003938900000000 ] - [ -0.0151511700000000, 0.0060730900000000, 0.0301898400000000 ] - [ 0.0000161400000000, 0.0003391800000000, 0.0003517700000000 ] - [ 0.0000900700000000, 0.0004443900000000, -0.0004606700000000 ] - [ 0.0007504400000000, 0.0005166700000000, -0.0012687100000000 ] - [ 0.0002812300000000, 0.0006793300000000, -0.0003716100000000 ] - [ 0.0000396400000000, 0.0008327200000000, -0.0001522400000000 ] - [ -0.0005092000000000, -0.0008475000000000, 0.0006214800000000 ] - [ 0.0000374500000000, 0.0002908200000000, -0.0003129100000000 ] - [ -0.0003624800000000, 0.0012924900000000, -0.0006721100000000 ] - [ 0.0000134900000000, 0.0004705200000000, -0.0003191300000000 ] - [ 0.0001662500000000, 0.0008430600000000, 0.0002653100000000 ] - [ 0.0017073700000000, 0.0022728800000000, 0.0002360700000000 ] - [ 0.0007953200000000, -0.0000343700000000, 0.0002351600000000 ] - [ -0.0016765200000000, -0.0009343100000000, -0.0000235800000000 ] - [ 0.0001246800000000, -0.0003394300000000, 0.0001404700000000 ] - [ 0.0002141000000000, 0.0001198100000000, -0.0001410200000000 ] - [ 0.0002605000000000, -0.0005899900000000, 0.0002228100000000 ] - [ -0.0003274300000000, -0.0007245500000000, 0.0008763200000000 ] - [ 0.0205780100000000, 0.0024604000000000, -0.0336470800000000 ] - [ -0.0001700000000000, -0.0005988800000000, -0.0002108900000000 ] - [ -0.0002847100000000, 0.0019776100000000, -0.0001817000000000 ] - [ 0.0000702000000000, -0.0002432800000000, -0.0002196200000000 ] - [ -0.0001028400000000, -0.0141469300000000, 0.0001454600000000 ] - [ 0.0002424700000000, -0.0002783800000000, 0.0002425300000000 ] - [ -0.0006087700000000, 0.0032878300000000, 0.0011090400000000 ] - [ 0.0000785600000000, 0.0000796500000000, 0.0002861700000000 ] - [ -0.0001923600000000, -0.0001967000000000, -0.0001946700000000 ] - [ 0.0002564100000000, -0.0000401800000000, -0.0001857900000000 ] - [ 0.0005332300000000, 0.0001192300000000, -0.0014633500000000 ] - [ -0.0000431600000000, -0.0000654500000000, -0.0003306900000000 ] - [ -0.0012172000000000, 0.0018750900000000, 0.0001142200000000 ] - [ 0.0004120800000000, 0.0005704800000000, -0.0002199900000000 ] - [ 0.0010343400000000, -0.0016040300000000, 0.0000028700000000 ] - [ -0.0000299400000000, -0.0004401100000000, -0.0004142200000000 ] - [ -0.0005233600000000, -0.0001033200000000, -0.0014323800000000 ] - [ 0.0001675400000000, 0.0000758700000000, 0.0001893000000000 ] - [ 0.0001116700000000, 0.0005302700000000, 0.0013076900000000 ] - [ 0.0000614800000000, 0.0001406500000000, 0.0002435700000000 ] - [ -0.0017343400000000, 0.0063446600000000, 0.0013648200000000 ] - [ -0.0001142400000000, 0.0004033300000000, 0.0001082300000000 ] - [ 0.0224771300000000, 0.0416700300000000, -0.0214892800000000 ] - [ -0.0002447100000000, 0.0000789000000000, 0.0000672500000000 ] - [ 0.0003450600000000, -0.0001650500000000, -0.0002461000000000 ] - [ 0.0004719100000000, -0.0000609700000000, -0.0000725300000000 ] - [ 0.0003407600000000, 0.0008271300000000, -0.0002864600000000 ] - [ 0.0003820400000000, 0.0005171300000000, -0.0000383000000000 ] - [ -0.0024954500000000, -0.0020552200000000, -0.0005815000000000 ] - [ 0.0010539400000000, -0.0009419500000000, 0.0000891400000000 ] - [ 0.0011806500000000, 0.0016332300000000, 0.0008211600000000 ] - [ 0.0001050600000000, 0.0005686400000000, -0.0001903900000000 ] - [ -0.0004746100000000, 0.0005611100000000, -0.0001955400000000 ] - [ -0.0002332100000000, -0.0001735900000000, 0.0000334400000000 ] - [ -0.0004894900000000, -0.0008455700000000, 0.0001864700000000 ] - [ -0.0002553500000000, -0.0003256200000000, 0.0000176900000000 ] - [ -0.0540067800000000, -0.1787044200000000, 0.0318353400000000 ] - [ 0.0001053200000000, -0.0001997200000000, -0.0003297300000000 ] - [ 0.0000829700000000, 0.0021225000000000, -0.0002242900000000 ] - [ 0.0001052600000000, 0.0000144600000000, -0.0003305900000000 ] - [ -0.0000159400000000, -0.0001482000000000, 0.0002120800000000 ] - [ 0.0003576100000000, -0.0000469500000000, -0.0000203900000000 ] - [ 0.0003657900000000, -0.0001476500000000, -0.0001356000000000 ] - [ -0.0001884500000000, -0.0000454900000000, 0.0005469400000000 ] - [ -0.0002492100000000, 0.0007147400000000, 0.0006350300000000 ] - [ 0.0005045100000000, 0.0008739300000000, 0.0002566100000000 ] - [ 0.0005069900000000, -0.0010626000000000, 0.0009914000000000 ] - [ -0.0002550600000000, -0.0007412900000000, 0.0003200000000000 ] - [ -0.0001294800000000, -0.0001596300000000, -0.0002543100000000 ] - [ 0.0001038400000000, 0.0000742000000000, -0.0004786800000000 ] - [ -0.0001206000000000, 0.0003491700000000, -0.0003680600000000 ] - [ 0.0000825900000000, 0.0001068600000000, -0.0004533000000000 ] - [ 0.0004855200000000, 0.0006160700000000, -0.0000851600000000 ] - [ 0.0000563200000000, 0.0002649900000000, -0.0000833400000000 ] - [ 0.0003720700000000, -0.0009395500000000, 0.0000406900000000 ] - [ 0.0001296600000000, -0.0006367900000000, -0.0000716400000000 ] - [ 0.0041918900000000, -0.0056086500000000, 0.0047823000000000 ] - [ -0.0006820200000000, -0.0002557500000000, 0.0001426000000000 ] - [ -0.0021900600000000, -0.0038697600000000, -0.0044234600000000 ] - [ -0.0003666500000000, -0.0002280100000000, 0.0001238100000000 ] - [ 0.0002422100000000, -0.0007607600000000, 0.0002353000000000 ] - [ -0.0005078800000000, 0.0000635900000000, 0.0001678500000000 ] - [ 0.0001274700000000, 0.0013091300000000, 0.0020280800000000 ] - [ -0.0004772300000000, 0.0004039000000000, 0.0001526300000000 ] - [ 0.0020777300000000, 0.0008542200000000, -0.0017678800000000 ] - [ -0.0006013900000000, 0.0002644800000000, -0.0003157000000000 ] - [ -0.0035929400000000, -0.0022519800000000, 0.0007353300000000 ] - [ 0.0004836600000000, 0.0000464100000000, -0.0001731700000000 ] - [ -0.0000100000000000, 0.0037419400000000, 0.0005189300000000 ] - [ -0.0004560300000000, 0.0001269800000000, -0.0000911300000000 ] - [ -0.0001214200000000, -0.0013225500000000, 0.0000308100000000 ] - [ -0.0004529100000000, -0.0002190300000000, -0.0000902700000000 ] - [ 0.0008552700000000, -0.0002687600000000, 0.0001851000000000 ] - [ -0.0025448000000000, -0.0025118000000000, 0.0005335900000000 ] - [ -0.0002793500000000, -0.0000607600000000, -0.0002694600000000 ] - [ 0.0027696200000000, -0.0011298800000000, 0.0001282100000000 ] - [ 0.0002314200000000, -0.0002437800000000, 0.0002913000000000 ] - [ 0.0001550600000000, -0.0009375600000000, -0.0001541400000000 ] - [ -0.0000656500000000, 0.0003823100000000, 0.0003560800000000 ] - [ 0.0005124500000000, 0.0011184100000000, 0.0001463400000000 ] - [ 0.0020867500000000, 0.0064666500000000, 0.0023860400000000 ] - [ -0.0006153000000000, 0.0001194300000000, -0.0001473700000000 ] - [ 0.0035649600000000, -0.0035122100000000, 0.0019806200000000 ] - [ -0.0008355200000000, -0.0000377200000000, -0.0001009300000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003366900000000, 0.0006338700000000, -0.0010660400000000 ] - [ 0.0002524600000000, -0.0002130600000000, -0.0003786000000000 ] - [ 0.0000084000000000, -0.0005419300000000, 0.0002393300000000 ] - [ 0.0001912700000000, -0.0003120100000000, -0.0003370900000000 ] - [ -0.0004706400000000, -0.0041467000000000, 0.0001435000000000 ] - [ 0.0000241900000000, -0.0014362900000000, 0.0002191900000000 ] - [ -0.0004821800000000, 0.0019188100000000, 0.0011389100000000 ] - [ 0.0001284800000000, 0.0007170500000000, 0.0002282800000000 ] - [ -0.0001841100000000, -0.0001251000000000, 0.0001895200000000 ] - [ 0.0001193600000000, -0.0000291900000000, 0.0001346100000000 ] - [ 0.0003037800000000, 0.0009210900000000, -0.0005329600000000 ] - [ -0.0002287100000000, 0.0004875400000000, 0.0002778200000000 ] - [ 0.0004765800000000, 0.0052934900000000, 0.0004957800000000 ] - [ 0.0002330800000000, 0.0004896600000000, -0.0002475900000000 ] - [ -0.0276188800000000, -0.0822556800000000, 0.0306848500000000 ] - [ 0.0002478000000000, 0.0000192000000000, -0.0003692600000000 ] - [ -0.0002128500000000, -0.0002868600000000, 0.0006512600000000 ] - [ 0.0002202800000000, 0.0004560300000000, -0.0000464300000000 ] - [ 0.0001189200000000, 0.0012761100000000, -0.0001464000000000 ] - [ 0.0002182600000000, 0.0005641600000000, -0.0000097400000000 ] - [ -0.0003627100000000, 0.0013520200000000, 0.0004013500000000 ] - [ 0.0002040100000000, 0.0025966100000000, -0.0001798200000000 ] - [ 0.0002531800000000, -0.0001563300000000, -0.0002826800000000 ] - [ -0.0007018600000000, -0.0026645100000000, -0.0002016000000000 ] - [ -0.0001542500000000, -0.0004616700000000, -0.0002043500000000 ] - [ 0.0001634600000000, -0.0000291800000000, -0.0005148300000000 ] - [ 0.0000987800000000, -0.0005162800000000, -0.0003829300000000 ] - [ -0.0003394300000000, -0.0002763500000000, 0.0000449400000000 ] - [ 0.0041487400000000, -0.0575509000000000, -0.0116344400000000 ] - [ 0.0001747300000000, -0.0007861600000000, 0.0001230800000000 ] - [ 0.0000613000000000, 0.0025183600000000, 0.0007773700000000 ] - [ 0.0002010300000000, -0.0002574900000000, 0.0001496100000000 ] - [ 0.0000655500000000, 0.0001098900000000, -0.0002698500000000 ] - [ -0.0013892200000000, 0.0016338200000000, -0.0006711400000000 ] - [ -0.0007061900000000, -0.0016842800000000, -0.0005231700000000 ] - [ 0.0009197700000000, -0.0021436900000000, -0.0006039900000000 ] - [ 0.0002703500000000, -0.0012153900000000, -0.0014665400000000 ] - [ -0.0002876800000000, -0.0005282800000000, 0.0003956600000000 ] - [ 0.0004319900000000, -0.0006299300000000, 0.0012844800000000 ] - [ -0.0003442200000000, -0.0005245400000000, 0.0004223100000000 ] - [ -0.0004186400000000, -0.0024416500000000, 0.0001248600000000 ] - [ -0.0001988700000000, 0.0003037200000000, 0.0002896600000000 ] - [ 0.0149314700000000, -0.0049708000000000, -0.0297087400000000 ] - [ -0.0003517900000000, 0.0006847500000000, 0.0003317100000000 ] - [ 0.0002428900000000, 0.0005780600000000, -0.0002229300000000 ] - [ -0.0004225200000000, 0.0005016200000000, 0.0005908800000000 ] - [ 0.0000510800000000, 0.0003450400000000, -0.0003121300000000 ] - [ 0.0002928100000000, 0.0001957800000000, -0.0005273800000000 ] - [ 0.0002414300000000, 0.0016944300000000, -0.0010920300000000 ] - [ -0.0003089500000000, 0.0005611300000000, -0.0001662000000000 ] - [ 0.0000953900000000, -0.0004416700000000, 0.0001982600000000 ] - [ -0.0002849800000000, 0.0003814300000000, -0.0001596400000000 ] - [ 0.0000995100000000, 0.0000055400000000, 0.0002151400000000 ] - [ -0.0014294300000000, -0.0014185200000000, 0.0002383100000000 ] - [ -0.0005326000000000, 0.0008886100000000, 0.0002443000000000 ] - [ 0.0019540300000000, 0.0017927000000000, 0.0004959000000000 ] - [ 0.0001433700000000, -0.0005127800000000, 0.0003400000000000 ] - [ 0.0000554800000000, -0.0009750000000000, 0.0006260800000000 ] - [ 0.0000081900000000, -0.0002601800000000, 0.0002591500000000 ] - [ 0.0005897100000000, -0.0001220000000000, -0.0003868100000000 ] - [ -0.0206939400000000, -0.0033896500000000, 0.0329248400000000 ] - [ -0.0001014200000000, -0.0002538100000000, -0.0002688600000000 ] - [ 0.0000225100000000, -0.0028131900000000, -0.0003048600000000 ] - [ -0.0003413400000000, -0.0006085500000000, -0.0002604500000000 ] - [ 0.0000835800000000, 0.0140275300000000, 0.0004117400000000 ] - [ -0.0002537700000000, 0.0001087800000000, 0.0002897000000000 ] - [ 0.0006022500000000, -0.0034599900000000, -0.0005723500000000 ] - [ -0.0000888000000000, -0.0002491700000000, 0.0002464700000000 ] - [ 0.0001994700000000, 0.0000268000000000, -0.0003339900000000 ] - [ -0.0002479500000000, -0.0001309800000000, -0.0003456200000000 ] - [ -0.0005288800000000, -0.0002898000000000, 0.0009417500000000 ] - [ 0.0000512200000000, -0.0001040100000000, -0.0002014000000000 ] - [ 0.0012239900000000, -0.0017054600000000, -0.0006493600000000 ] - [ -0.0004066100000000, -0.0004029900000000, -0.0003132600000000 ] - [ -0.0010097800000000, 0.0017700900000000, -0.0005425800000000 ] - [ 0.0000327300000000, 0.0006090300000000, -0.0001165400000000 ] - [ 0.0005214000000000, 0.0002632300000000, 0.0019692700000000 ] - [ -0.0001793600000000, 0.0000912700000000, 0.0003452900000000 ] - [ -0.0001179400000000, -0.0003589400000000, -0.0007710700000000 ] - [ -0.0000727700000000, 0.0000277600000000, 0.0002906200000000 ] - [ 0.0010408900000000, -0.0058331300000000, -0.0012593500000000 ] - [ -0.0005742300000000, 0.0000651200000000, -0.0000088300000000 ] - [ -0.0236364600000000, -0.0420054300000000, 0.0220248100000000 ] - [ -0.0004445000000000, 0.0003906300000000, 0.0000322500000000 ] - [ 0.0003404700000000, 0.0006344200000000, 0.0001496400000000 ] - [ 0.0002137900000000, 0.0005301900000000, -0.0000260700000000 ] - [ 0.0003444800000000, -0.0003599000000000, 0.0001897400000000 ] - [ 0.0003040200000000, -0.0000458600000000, -0.0000601200000000 ] - [ 0.0031797000000000, 0.0015807600000000, 0.0004729800000000 ] - [ -0.0003745700000000, 0.0004695600000000, -0.0001914600000000 ] - [ -0.0004929300000000, -0.0021031100000000, -0.0009305500000000 ] - [ 0.0005774300000000, -0.0010341600000000, 0.0000862600000000 ] - [ -0.0002102900000000, -0.0010342200000000, 0.0002998600000000 ] - [ -0.0004548000000000, -0.0002969500000000, 0.0000681100000000 ] - [ -0.0001919600000000, 0.0003793300000000, -0.0000753500000000 ] - [ -0.0004327800000000, -0.0001440400000000, 0.0000839200000000 ] - [ 0.0566024300000000, 0.1788442500000000, -0.0362535600000000 ] - [ -0.0001647700000000, -0.0000332800000000, -0.0003370800000000 ] - [ -0.0001278100000000, -0.0023523700000000, -0.0004607400000000 ] - [ -0.0001641700000000, -0.0002475600000000, -0.0003366300000000 ] - [ 0.0000716000000000, -0.0000848000000000, 0.0004586100000000 ] - [ -0.0003021400000000, -0.0001871100000000, 0.0006935800000000 ] - [ -0.0003115200000000, -0.0000843600000000, 0.0008090300000000 ] - [ 0.0002423100000000, -0.0001857200000000, 0.0001274500000000 ] - [ 0.0003044300000000, -0.0004829500000000, 0.0000303500000000 ] - [ -0.0004446900000000, -0.0006419600000000, 0.0004024300000000 ] - [ -0.0004529800000000, 0.0012981900000000, -0.0003338900000000 ] - [ 0.0003058000000000, 0.0009729200000000, 0.0003376700000000 ] - [ 0.0000712900000000, 0.0003896800000000, -0.0004033200000000 ] - [ -0.0001628900000000, 0.0001585100000000, -0.0001858500000000 ] - [ 0.0000606900000000, -0.0001152300000000, -0.0002912400000000 ] - [ -0.0001417400000000, 0.0001264900000000, -0.0002111400000000 ] - [ 0.0000541600000000, -0.0010836200000000, -0.0002237700000000 ] - [ 0.0004957000000000, -0.0007336100000000, -0.0002242800000000 ] - [ 0.0001718700000000, 0.0004689900000000, -0.0003440700000000 ] - [ 0.0004198200000000, 0.0001672600000000, -0.0002339800000000 ] - [ -0.0047817200000000, 0.0052168200000000, -0.0044984700000000 ] - [ 0.0001421000000000, -0.0002121900000000, 0.0001615200000000 ] - [ 0.0016058100000000, 0.0033826400000000, 0.0047631200000000 ] - [ -0.0001730400000000, -0.0002426800000000, 0.0001804800000000 ] - [ -0.0007884700000000, 0.0012302200000000, 0.0000592600000000 ] - [ -0.0000356400000000, 0.0004043200000000, 0.0001351800000000 ] - [ -0.0006739300000000, -0.0008452000000000, -0.0017367100000000 ] - [ -0.0000657900000000, 0.0000643000000000, 0.0001506900000000 ] - [ -0.0015230600000000, -0.0003862000000000, 0.0014613400000000 ] - [ 0.0011487500000000, 0.0002082900000000, 0.0000166700000000 ] - [ 0.0041597500000000, 0.0027284900000000, -0.0010392100000000 ] - [ 0.0000631000000000, 0.0004189400000000, -0.0001263600000000 ] - [ -0.0006413300000000, -0.0038426900000000, -0.0007666500000000 ] - [ -0.0001932700000000, -0.0002333600000000, -0.0001086700000000 ] - [ -0.0005350700000000, 0.0012135900000000, -0.0002350500000000 ] - [ -0.0001963900000000, 0.0001119400000000, -0.0001088600000000 ] - [ -0.0001994000000000, 0.0001635000000000, 0.0000166300000000 ] - [ 0.0032178100000000, 0.0024307600000000, -0.0003366100000000 ] - [ 0.0009331600000000, -0.0000482100000000, 0.0004730000000000 ] - [ -0.0020894500000000, 0.0009987600000000, 0.0000685400000000 ] - [ 0.0004243500000000, 0.0003506200000000, -0.0000945300000000 ] - [ 0.0004907700000000, 0.0010424600000000, 0.0003492600000000 ] - [ 0.0007227600000000, -0.0002777100000000, -0.0001600200000000 ] - [ 0.0001323800000000, -0.0010123400000000, 0.0000521400000000 ] - [ -0.0026110900000000, -0.0061737000000000, -0.0022706700000000 ] - [ -0.0000315100000000, -0.0000130400000000, -0.0000511200000000 ] - [ -0.0042490200000000, 0.0036270300000000, -0.0021827800000000 ] - [ 0.0001900800000000, 0.0001436600000000, -0.0000977000000000 ]- atom: 97 displacement: [ -0.0004367987813524, 0.0000000000000000, 0.0099904557866300 ] forces: - [ 0.0013129700000000, 0.0008606300000000, -0.0033175200000000 ] - [ 0.0005924700000000, -0.0002365900000000, -0.0009529900000000 ] - [ 0.0004326200000000, -0.0009882000000000, -0.0016575100000000 ] - [ 0.0005428700000000, -0.0003765900000000, -0.0008238500000000 ] - [ -0.0020421600000000, -0.0005510500000000, 0.0045170200000000 ] - [ 0.0006905200000000, -0.0010144100000000, 0.0011013200000000 ] - [ -0.0007999500000000, 0.0003241200000000, 0.0018416000000000 ] - [ -0.0004192500000000, -0.0005172500000000, 0.0008986600000000 ] - [ 0.0007379500000000, -0.0005450300000000, -0.0014398500000000 ] - [ 0.0003568500000000, -0.0001055000000000, -0.0007509300000000 ] - [ 0.0007786000000000, 0.0011428700000000, -0.0017819900000000 ] - [ 0.0004223300000000, 0.0000078700000000, -0.0006665400000000 ] - [ -0.0010876900000000, -0.0009237100000000, 0.0013356500000000 ] - [ 0.0002927400000000, 0.0002473200000000, -0.0000606000000000 ] - [ -0.0390730800000000, -0.0352060100000000, 0.0908205100000000 ] - [ 0.0003908800000000, 0.0003577500000000, 0.0000287800000000 ] - [ 0.0016564100000000, -0.0003559300000000, -0.0036108700000000 ] - [ 0.0005455800000000, 0.0003757500000000, -0.0005499300000000 ] - [ 0.0007123300000000, 0.0019430300000000, -0.0018183100000000 ] - [ 0.0004828600000000, 0.0006171000000000, -0.0005037200000000 ] - [ -0.0004716800000000, 0.0004206600000000, 0.0007700000000000 ] - [ -0.0010339700000000, -0.0001270600000000, 0.0021335900000000 ] - [ 0.0008752200000000, 0.0015565800000000, 0.0009560600000000 ] - [ -0.0025214600000000, 0.0016609600000000, 0.0043352300000000 ] - [ 0.0002597000000000, -0.0003783300000000, -0.0010571100000000 ] - [ 0.0007131600000000, 0.0012595800000000, -0.0025621100000000 ] - [ 0.0003309200000000, -0.0005304600000000, -0.0010184600000000 ] - [ 0.0010179700000000, -0.0020883200000000, -0.0023055900000000 ] - [ -0.0542015700000000, 0.0139478100000000, 0.1352010000000000 ] - [ 0.0003404400000000, -0.0005106100000000, 0.0003932400000000 ] - [ -0.0017437600000000, 0.0004045100000000, 0.0038701400000000 ] - [ 0.0002521500000000, -0.0004390900000000, 0.0003162500000000 ] - [ -0.0018734900000000, -0.0007659300000000, -0.0010287200000000 ] - [ 0.0037519300000000, -0.0015355000000000, -0.0014812000000000 ] - [ -0.0005825000000000, -0.0010230500000000, -0.0005952800000000 ] - [ 0.0010293700000000, -0.0006713600000000, -0.0010147400000000 ] - [ -0.0003302000000000, 0.0005516000000000, 0.0030661600000000 ] - [ -0.0005715000000000, -0.0005100700000000, 0.0006095900000000 ] - [ 0.0010012500000000, -0.0021314600000000, 0.0019988500000000 ] - [ -0.0006892400000000, -0.0007145500000000, 0.0006257400000000 ] - [ 0.0007524500000000, -0.0021176400000000, -0.0007276500000000 ] - [ -0.0004994500000000, 0.0003930400000000, 0.0002021300000000 ] - [ -0.0196725800000000, 0.0313362900000000, 0.0290483500000000 ] - [ -0.0005656600000000, 0.0004358700000000, 0.0001432100000000 ] - [ 0.0002238300000000, 0.0002551100000000, 0.0000950800000000 ] - [ -0.0018391800000000, -0.0009440200000000, 0.0022217700000000 ] - [ 0.0000948600000000, 0.0003143600000000, -0.0000316100000000 ] - [ -0.0001546700000000, 0.0013549000000000, 0.0006286600000000 ] - [ 0.0013797000000000, 0.0013968700000000, 0.0033184300000000 ] - [ -0.0007723400000000, 0.0007189300000000, 0.0001088100000000 ] - [ 0.0001434200000000, -0.0000638600000000, 0.0006254900000000 ] - [ -0.0005770300000000, 0.0005404700000000, 0.0000201000000000 ] - [ -0.0008376000000000, 0.0009908600000000, -0.0000085900000000 ] - [ 0.0024558600000000, 0.0024372400000000, -0.0011945900000000 ] - [ -0.0008565700000000, 0.0000240700000000, 0.0000188200000000 ] - [ 0.0021385500000000, 0.0002447800000000, -0.0008700200000000 ] - [ -0.0000173500000000, -0.0002451500000000, 0.0006078700000000 ] - [ -0.0000577500000000, -0.0013578500000000, 0.0015833000000000 ] - [ 0.0000746500000000, -0.0001059700000000, 0.0006668400000000 ] - [ -0.0019334300000000, 0.0012121800000000, 0.0025276100000000 ] - [ -0.0356552700000000, -0.0295304100000000, 0.0428285700000000 ] - [ -0.0004198500000000, -0.0003577300000000, -0.0004290100000000 ] - [ 0.0008592900000000, 0.0009925200000000, -0.0013591200000000 ] - [ -0.0004149100000000, -0.0004073400000000, -0.0003749900000000 ] - [ -0.0464685100000000, -0.0020613400000000, 0.0570615800000000 ] - [ -0.0001391100000000, -0.0002021400000000, 0.0000541700000000 ] - [ 0.0005941100000000, -0.0008388000000000, -0.0001490900000000 ] - [ -0.0001738900000000, -0.0001716700000000, 0.0001278000000000 ] - [ -0.0006987700000000, 0.0007437400000000, 0.0011261400000000 ] - [ -0.0001335200000000, -0.0002528800000000, 0.0002746000000000 ] - [ -0.0012596500000000, -0.0017088000000000, 0.0017152000000000 ] - [ -0.0001151400000000, -0.0003906600000000, 0.0002828300000000 ] - [ 0.0014785700000000, -0.0013247200000000, -0.0009340900000000 ] - [ -0.0008934400000000, -0.0004307800000000, -0.0005769200000000 ] - [ 0.0031834300000000, 0.0000173900000000, -0.0013152000000000 ] - [ -0.0010331800000000, 0.0001781000000000, -0.0005926200000000 ] - [ 0.0013966500000000, -0.0010719600000000, 0.0035582300000000 ] - [ -0.0006985400000000, -0.0001758700000000, 0.0006242200000000 ] - [ 0.0004748800000000, 0.0002469800000000, 0.0010231600000000 ] - [ -0.0005425900000000, -0.0000323200000000, 0.0005579500000000 ] - [ -0.0002898000000000, 0.0023580300000000, -0.0027514700000000 ] - [ -0.0006523400000000, 0.0002864800000000, -0.0003363200000000 ] - [ -0.0092998500000000, -0.0246666100000000, -0.0065698600000000 ] - [ -0.0007281100000000, 0.0002079600000000, -0.0003187300000000 ] - [ -0.0004375800000000, 0.0008499900000000, 0.0017692600000000 ] - [ 0.0003652900000000, 0.0004654900000000, 0.0007532800000000 ] - [ 0.0002183500000000, -0.0005058700000000, 0.0008526000000000 ] - [ 0.0002559100000000, 0.0004301000000000, 0.0005022700000000 ] - [ 0.0020069200000000, -0.0000400600000000, -0.0024470600000000 ] - [ -0.0012093400000000, 0.0000263800000000, -0.0011871300000000 ] - [ 0.0007921200000000, -0.0006954800000000, -0.0015521300000000 ] - [ -0.0004854300000000, 0.0003942200000000, -0.0010180800000000 ] - [ -0.0001898000000000, -0.0010391700000000, 0.0014189500000000 ] - [ -0.0007132300000000, -0.0002413600000000, 0.0003320100000000 ] - [ 0.0011368800000000, 0.0002830000000000, 0.0033775600000000 ] - [ -0.0007954300000000, -0.0001154900000000, 0.0003516900000000 ] - [ 0.2013819100000000, 0.0386673900000000, -0.3554544200000000 ] - [ -0.0004369400000000, -0.0001182800000000, -0.0006818000000000 ] - [ 0.0017750100000000, -0.0000043800000000, -0.0034615900000000 ] - [ -0.0002957700000000, -0.0001188700000000, -0.0005988500000000 ] - [ -0.0006442500000000, 0.0003703600000000, 0.0017283500000000 ] - [ -0.0007265400000000, -0.0003346700000000, 0.0023247300000000 ] - [ -0.0005924500000000, 0.0000042700000000, 0.0017293900000000 ] - [ -0.0008080900000000, 0.0002537300000000, 0.0023214300000000 ] - [ 0.0003535100000000, 0.0004299300000000, -0.0008953400000000 ] - [ 0.0004559700000000, 0.0000239200000000, -0.0018360000000000 ] - [ -0.0002514800000000, 0.0007586200000000, -0.0023889300000000 ] - [ -0.0000320900000000, 0.0001194100000000, -0.0029294900000000 ] - [ -0.0009126100000000, 0.0000387000000000, 0.0035002400000000 ] - [ -0.0005082300000000, 0.0002678500000000, 0.0003901600000000 ] - [ -0.0005685000000000, 0.0001498000000000, 0.0014340200000000 ] - [ -0.0004673500000000, 0.0002417200000000, 0.0003148200000000 ] - [ -0.0012496600000000, -0.0003441400000000, -0.0020082000000000 ] - [ 0.0020161700000000, -0.0002855100000000, -0.0012159600000000 ] - [ -0.0004650900000000, -0.0000622200000000, -0.0009307400000000 ] - [ 0.0012109600000000, -0.0001212800000000, -0.0007923000000000 ] - [ -0.0078689900000000, 0.0070158300000000, 0.0019823500000000 ] - [ 0.0009421300000000, -0.0001129300000000, 0.0004468200000000 ] - [ -0.0061990100000000, -0.0044485800000000, 0.0049799100000000 ] - [ 0.0008529300000000, -0.0003434400000000, 0.0004469400000000 ] - [ -0.0004270700000000, -0.0001356800000000, -0.0011684700000000 ] - [ 0.0001325500000000, 0.0002317200000000, -0.0001076700000000 ] - [ -0.0012137500000000, 0.0027366000000000, -0.0085522300000000 ] - [ 0.0001405100000000, 0.0002677500000000, -0.0001740600000000 ] - [ 0.0053440000000000, -0.0052674800000000, 0.0021641100000000 ] - [ -0.0002306900000000, 0.0001559700000000, 0.0009705900000000 ] - [ 0.0033442000000000, 0.0034371500000000, 0.0002086100000000 ] - [ 0.0000434600000000, 0.0003223900000000, 0.0006402500000000 ] - [ -0.0013904200000000, -0.0002752800000000, -0.0099302000000000 ] - [ 0.0001184300000000, -0.0000754900000000, -0.0002254800000000 ] - [ -0.0010822500000000, 0.0001769200000000, -0.0016386600000000 ] - [ 0.0001038100000000, -0.0000480100000000, -0.0002090000000000 ] - [ 0.0001508900000000, -0.0000316400000000, 0.0005089400000000 ] - [ 0.0060528900000000, 0.0056924700000000, 0.0004821900000000 ] - [ 0.0003132600000000, -0.0001251000000000, 0.0007706100000000 ] - [ 0.0052277200000000, -0.0041167400000000, 0.0010272600000000 ] - [ 0.0010491500000000, -0.0001130600000000, -0.0003443100000000 ] - [ -0.0008235700000000, -0.0002976600000000, -0.0008232200000000 ] - [ 0.0021733400000000, 0.0003278700000000, -0.0009731400000000 ] - [ -0.0016004800000000, 0.0006994300000000, -0.0016281100000000 ] - [ -0.0032863800000000, -0.0001970200000000, 0.0092858900000000 ] - [ 0.0008588200000000, -0.0001357200000000, 0.0000772700000000 ] - [ -0.0035159000000000, 0.0029867500000000, -0.0003158000000000 ] - [ 0.0006825200000000, 0.0002651700000000, 0.0000632400000000 ]- atom: 97 displacement: [ 0.0004367987813524, 0.0000000000000000, -0.0099904557866300 ] forces: - [ -0.0010760600000000, -0.0013456700000000, 0.0028129900000000 ] - [ -0.0003589800000000, -0.0002424800000000, 0.0004455200000000 ] - [ -0.0001960000000000, 0.0005183100000000, 0.0011523100000000 ] - [ -0.0003091800000000, -0.0001018400000000, 0.0003160700000000 ] - [ 0.0017896000000000, 0.0000397300000000, -0.0040193000000000 ] - [ -0.0009310900000000, 0.0005426100000000, -0.0005978400000000 ] - [ 0.0005653000000000, -0.0008049200000000, -0.0013335900000000 ] - [ 0.0001856600000000, 0.0000387500000000, -0.0003900300000000 ] - [ -0.0009742300000000, 0.0010189400000000, 0.0019548600000000 ] - [ -0.0005972100000000, 0.0005866600000000, 0.0012687600000000 ] - [ -0.0010169900000000, -0.0006664000000000, 0.0023003000000000 ] - [ -0.0006620100000000, 0.0004718400000000, 0.0011838500000000 ] - [ 0.0013346100000000, 0.0014241900000000, -0.0018568200000000 ] - [ -0.0000598700000000, 0.0002307800000000, -0.0004509300000000 ] - [ 0.0357280400000000, 0.0319178300000000, -0.0878853200000000 ] - [ -0.0001579500000000, 0.0001205500000000, -0.0005408000000000 ] - [ -0.0014425400000000, 0.0013964100000000, 0.0038558600000000 ] - [ -0.0003279200000000, 0.0006665800000000, 0.0007855500000000 ] - [ -0.0004963300000000, -0.0009043600000000, 0.0020621500000000 ] - [ -0.0002654200000000, 0.0004256600000000, 0.0007394900000000 ] - [ 0.0002507800000000, 0.0006178800000000, -0.0010025100000000 ] - [ 0.0008207100000000, 0.0011661500000000, -0.0023786300000000 ] - [ -0.0010983500000000, -0.0005086400000000, -0.0011734100000000 ] - [ 0.0023214700000000, -0.0006336100000000, -0.0045902500000000 ] - [ -0.0004784500000000, -0.0006635600000000, 0.0008239300000000 ] - [ -0.0009384600000000, -0.0023120000000000, 0.0023431600000000 ] - [ -0.0005503800000000, -0.0005131000000000, 0.0007865800000000 ] - [ -0.0012441800000000, 0.0010527200000000, 0.0020854100000000 ] - [ 0.0611633500000000, -0.0166047400000000, -0.1445603100000000 ] - [ -0.0001245100000000, -0.0005333400000000, -0.0001580500000000 ] - [ 0.0019770700000000, -0.0014458500000000, -0.0036612400000000 ] - [ -0.0000347500000000, -0.0006034800000000, -0.0000819500000000 ] - [ 0.0022047600000000, -0.0002593900000000, 0.0003373800000000 ] - [ -0.0034398700000000, 0.0005175700000000, 0.0007891000000000 ] - [ 0.0009241100000000, 0.0000042600000000, -0.0000887200000000 ] - [ -0.0007047300000000, -0.0003469100000000, 0.0003356200000000 ] - [ -0.0000061600000000, -0.0015764200000000, -0.0023886800000000 ] - [ 0.0002404700000000, -0.0005139500000000, 0.0000741400000000 ] - [ -0.0013374000000000, 0.0011091000000000, -0.0013266000000000 ] - [ 0.0003581900000000, -0.0003102900000000, 0.0000581200000000 ] - [ -0.0011000000000000, 0.0031497600000000, 0.0014222100000000 ] - [ 0.0001710100000000, 0.0006306800000000, 0.0004825300000000 ] - [ 0.0196620600000000, -0.0307537000000000, -0.0286111400000000 ] - [ 0.0002368600000000, 0.0005891300000000, 0.0005418700000000 ] - [ 0.0001093500000000, 0.0007691300000000, -0.0007760600000000 ] - [ 0.0021837300000000, 0.0019747600000000, -0.0029210300000000 ] - [ 0.0002384400000000, 0.0007113900000000, -0.0006518700000000 ] - [ 0.0004886800000000, -0.0003350900000000, -0.0013188000000000 ] - [ -0.0016466600000000, -0.0005465900000000, -0.0038091200000000 ] - [ 0.0005049600000000, 0.0001320100000000, -0.0005897500000000 ] - [ -0.0004149700000000, 0.0009173600000000, -0.0011128600000000 ] - [ 0.0003102900000000, 0.0003104000000000, -0.0005012400000000 ] - [ 0.0011095500000000, -0.0001371100000000, 0.0004869800000000 ] - [ -0.0021895000000000, -0.0015868500000000, 0.0016746700000000 ] - [ 0.0011319600000000, 0.0008259400000000, 0.0004565600000000 ] - [ -0.0018804800000000, 0.0006061500000000, 0.0013544100000000 ] - [ 0.0002870400000000, -0.0006077600000000, -0.0001252900000000 ] - [ 0.0003270200000000, 0.0005127300000000, -0.0011105400000000 ] - [ 0.0001956600000000, -0.0007459400000000, -0.0001843200000000 ] - [ 0.0022122500000000, -0.0020713800000000, -0.0020582300000000 ] - [ 0.0360673600000000, 0.0292447200000000, -0.0439254900000000 ] - [ 0.0001567100000000, -0.0004929800000000, -0.0000494300000000 ] - [ -0.0011382000000000, -0.0018575400000000, 0.0008895000000000 ] - [ 0.0001495900000000, -0.0004436200000000, -0.0001036000000000 ] - [ 0.0455480400000000, 0.0018597800000000, -0.0557405700000000 ] - [ 0.0001309600000000, 0.0000331000000000, 0.0004793900000000 ] - [ -0.0006046500000000, 0.0006698700000000, 0.0006760600000000 ] - [ 0.0001664600000000, 0.0000030400000000, 0.0004056900000000 ] - [ 0.0007087700000000, -0.0009100900000000, -0.0016643300000000 ] - [ 0.0001438000000000, 0.0000845100000000, -0.0008098800000000 ] - [ 0.0012719000000000, 0.0015374400000000, -0.0022565900000000 ] - [ 0.0001249400000000, 0.0002232900000000, -0.0008188800000000 ] - [ -0.0014723900000000, 0.0014946000000000, 0.0004065300000000 ] - [ 0.0009093900000000, 0.0006038300000000, 0.0000468500000000 ] - [ -0.0031826500000000, 0.0001613100000000, 0.0007986100000000 ] - [ 0.0010486000000000, -0.0000096200000000, 0.0000636700000000 ] - [ -0.0014186100000000, 0.0012467600000000, -0.0030286900000000 ] - [ 0.0006943100000000, 0.0003460500000000, -0.0000922800000000 ] - [ -0.0004889400000000, -0.0000818400000000, -0.0004899800000000 ] - [ 0.0005374800000000, 0.0002021000000000, -0.0000260900000000 ] - [ -0.0003937900000000, -0.0019299700000000, 0.0028478500000000 ] - [ -0.0000321100000000, 0.0001831400000000, 0.0004387400000000 ] - [ 0.0086703900000000, 0.0253979700000000, 0.0064090500000000 ] - [ 0.0000439600000000, 0.0002611800000000, 0.0004217000000000 ] - [ 0.0011218400000000, -0.0003783200000000, -0.0018680700000000 ] - [ 0.0003216500000000, 0.0000024300000000, -0.0008578900000000 ] - [ 0.0004676800000000, 0.0009764400000000, -0.0009554300000000 ] - [ 0.0004310600000000, 0.0000389400000000, -0.0006052600000000 ] - [ -0.0012783300000000, -0.0004320200000000, 0.0023723100000000 ] - [ 0.0019059700000000, -0.0004982300000000, 0.0010953800000000 ] - [ -0.0001076400000000, 0.0002279900000000, 0.0014606900000000 ] - [ 0.0011777400000000, -0.0008676900000000, 0.0009252700000000 ] - [ -0.0004990000000000, 0.0005741400000000, -0.0013221800000000 ] - [ 0.0000297800000000, -0.0002282400000000, -0.0002320700000000 ] - [ -0.0018314800000000, -0.0007593200000000, -0.0032838200000000 ] - [ 0.0001124500000000, -0.0003547100000000, -0.0002519000000000 ] - [ -0.2049506700000000, -0.0341524200000000, 0.3609316900000000 ] - [ 0.0003829400000000, -0.0001140200000000, 0.0000148100000000 ] - [ -0.0018462900000000, -0.0002319200000000, 0.0028168600000000 ] - [ 0.0002415900000000, -0.0001133300000000, -0.0000678200000000 ] - [ 0.0007002500000000, -0.0006026000000000, -0.0010615200000000 ] - [ 0.0007890800000000, 0.0001033900000000, -0.0016679300000000 ] - [ 0.0006503700000000, -0.0002379500000000, -0.0010649300000000 ] - [ 0.0008699000000000, -0.0004882600000000, -0.0016641300000000 ] - [ -0.0002949200000000, -0.0001986100000000, 0.0015642800000000 ] - [ -0.0004010100000000, 0.0002109900000000, 0.0025147500000000 ] - [ 0.0003169300000000, -0.0005235100000000, 0.0030508600000000 ] - [ 0.0000874400000000, 0.0001125600000000, 0.0036174100000000 ] - [ 0.0008558100000000, 0.0001967300000000, -0.0041769400000000 ] - [ 0.0004536800000000, -0.0000359600000000, -0.0010596300000000 ] - [ 0.0005140900000000, 0.0000812400000000, -0.0021091600000000 ] - [ 0.0004128100000000, -0.0000096400000000, -0.0009844800000000 ] - [ 0.0018060000000000, -0.0001236300000000, 0.0016996900000000 ] - [ -0.0014817300000000, -0.0001824500000000, 0.0009187300000000 ] - [ 0.0010153400000000, -0.0004063900000000, 0.0006267900000000 ] - [ -0.0006715900000000, -0.0003487400000000, 0.0004931500000000 ] - [ 0.0073542000000000, -0.0074644200000000, -0.0017693600000000 ] - [ -0.0014976800000000, -0.0003562300000000, -0.0001443400000000 ] - [ 0.0056900400000000, 0.0039894200000000, -0.0047186100000000 ] - [ -0.0014075900000000, -0.0001251600000000, -0.0001446600000000 ] - [ -0.0001174500000000, 0.0006012300000000, 0.0014835100000000 ] - [ -0.0006812200000000, 0.0002364900000000, 0.0004131800000000 ] - [ 0.0006657100000000, -0.0022596200000000, 0.0088736300000000 ] - [ -0.0006886400000000, 0.0002010800000000, 0.0004800500000000 ] - [ -0.0048242200000000, 0.0057397800000000, -0.0024377400000000 ] - [ 0.0007793400000000, 0.0003158500000000, -0.0012794600000000 ] - [ -0.0028291800000000, -0.0029803800000000, -0.0005050300000000 ] - [ 0.0005042200000000, 0.0001450300000000, -0.0009478500000000 ] - [ 0.0007491600000000, 0.0001733800000000, 0.0097848300000000 ] - [ -0.0007752500000000, -0.0000304200000000, 0.0000246300000000 ] - [ 0.0004363100000000, -0.0002842100000000, 0.0014450400000000 ] - [ -0.0007600900000000, -0.0000583200000000, 0.0000093400000000 ] - [ 0.0004921400000000, -0.0000687700000000, -0.0003156700000000 ] - [ -0.0054240200000000, -0.0058286900000000, -0.0002898600000000 ] - [ 0.0003326800000000, 0.0000151400000000, -0.0005756200000000 ] - [ -0.0045953500000000, 0.0040287300000000, -0.0008329800000000 ] - [ -0.0003996600000000, 0.0002181600000000, 0.0005475500000000 ] - [ 0.0014796400000000, 0.0004011500000000, 0.0010273500000000 ] - [ -0.0015192900000000, -0.0002185100000000, 0.0011742100000000 ] - [ 0.0022559100000000, -0.0005930800000000, 0.0018385900000000 ] - [ 0.0028236100000000, 0.0006335700000000, -0.0091519400000000 ] - [ -0.0015158600000000, 0.0002417000000000, -0.0002752500000000 ] - [ 0.0028982100000000, -0.0028983700000000, 0.0001256200000000 ] - [ -0.0013410800000000, -0.0001590700000000, -0.0002616800000000 ]- atom: 113 displacement: [ 0.0099996587985401, 0.0000000000000000, -0.0000826069777877 ] forces: - [ 0.0043834300000000, 0.0097540900000000, -0.0070324100000000 ] - [ 0.0014375100000000, -0.0012337200000000, -0.0009486500000000 ] - [ 0.0026476600000000, -0.0156569100000000, -0.0000423600000000 ] - [ 0.0012457300000000, 0.0007670400000000, -0.0008970400000000 ] - [ -0.0018976200000000, 0.0006301200000000, 0.0000357400000000 ] - [ 0.0007933300000000, -0.0000995500000000, -0.0003342100000000 ] - [ -0.0009550000000000, -0.0002050300000000, 0.0009779200000000 ] - [ 0.0005569300000000, -0.0001279700000000, -0.0002609300000000 ] - [ -0.0042740200000000, 0.0020283500000000, 0.0035942900000000 ] - [ 0.0010181400000000, -0.0000818600000000, -0.0005309900000000 ] - [ -0.0052549500000000, 0.0021216100000000, 0.0044931400000000 ] - [ 0.0010014600000000, -0.0001011700000000, -0.0005694500000000 ] - [ -0.0004190400000000, 0.0004305000000000, 0.0001841200000000 ] - [ 0.0006836100000000, 0.0003522700000000, -0.0007674000000000 ] - [ -0.0007066000000000, -0.0005062700000000, 0.0003593000000000 ] - [ 0.0009804900000000, 0.0007243400000000, -0.0010414200000000 ] - [ 0.0024692300000000, 0.0015586500000000, -0.0044511900000000 ] - [ 0.0005897300000000, -0.0006715500000000, 0.0012105700000000 ] - [ 0.0017503200000000, -0.0002198300000000, -0.0026875900000000 ] - [ 0.0003900700000000, 0.0011961600000000, 0.0007061000000000 ] - [ -0.0004347600000000, 0.0003848200000000, 0.0000147700000000 ] - [ 0.0003615000000000, 0.0006656500000000, -0.0004787100000000 ] - [ -0.0006126800000000, 0.0004299700000000, -0.0000028600000000 ] - [ 0.0004648000000000, 0.0005191700000000, -0.0003655800000000 ] - [ -0.0015544500000000, -0.0162055500000000, 0.0072023000000000 ] - [ 0.0010209500000000, 0.0002234700000000, -0.0013609900000000 ] - [ -0.0025105800000000, 0.0168894900000000, 0.0066635100000000 ] - [ 0.0012683000000000, -0.0016516000000000, -0.0014561900000000 ] - [ -0.0005885700000000, 0.0000372800000000, 0.0025373800000000 ] - [ 0.0013436200000000, -0.0004206300000000, -0.0020081800000000 ] - [ -0.0004052000000000, -0.0003099800000000, 0.0010754100000000 ] - [ 0.0007133500000000, -0.0004928900000000, -0.0010290300000000 ] - [ 0.0008761700000000, -0.0002868900000000, -0.0006335600000000 ] - [ -0.0006359000000000, -0.0005301100000000, -0.0002089100000000 ] - [ 0.0007022700000000, -0.0003601500000000, -0.0004744900000000 ] - [ -0.0004851400000000, -0.0005698300000000, -0.0001934600000000 ] - [ -0.0007504100000000, -0.0021361500000000, 0.0021988200000000 ] - [ -0.0004312800000000, 0.0003646700000000, -0.0003406000000000 ] - [ -0.0010785800000000, -0.0002998500000000, 0.0018742300000000 ] - [ -0.0009044000000000, -0.0008588400000000, -0.0004355800000000 ] - [ -0.0004788200000000, 0.0000240200000000, -0.0003720800000000 ] - [ -0.0009911300000000, 0.0008125700000000, 0.0009812500000000 ] - [ -0.0013957100000000, 0.0008517500000000, -0.0020572700000000 ] - [ -0.0016433800000000, 0.0002478300000000, 0.0021602900000000 ] - [ 0.0183158900000000, -0.0058902800000000, -0.0027601100000000 ] - [ -0.0023444400000000, -0.0004750600000000, -0.0000578800000000 ] - [ 0.0017140500000000, -0.0068044500000000, 0.0004906000000000 ] - [ -0.0011313300000000, 0.0010327000000000, -0.0002797700000000 ] - [ -0.0016090200000000, 0.0009129500000000, 0.0016394700000000 ] - [ -0.0010596100000000, 0.0008950600000000, -0.0015927200000000 ] - [ -0.0009691400000000, 0.0015206300000000, 0.0010124400000000 ] - [ -0.0002752400000000, 0.0000103800000000, -0.0007604700000000 ] - [ 0.0006956600000000, 0.0005279300000000, 0.0001289200000000 ] - [ -0.0005976200000000, 0.0002130900000000, 0.0004038500000000 ] - [ 0.0006938900000000, 0.0002807100000000, -0.0001352700000000 ] - [ -0.0005713400000000, 0.0004134500000000, 0.0003801600000000 ] - [ -0.0001701200000000, 0.0064519600000000, 0.0003385600000000 ] - [ -0.0011753800000000, -0.0005663500000000, 0.0003732400000000 ] - [ 0.0139710400000000, -0.0001937200000000, -0.0015011600000000 ] - [ -0.0027211200000000, 0.0009792300000000, 0.0005182500000000 ] - [ -0.0012605200000000, -0.0009102200000000, -0.0022809400000000 ] - [ -0.0016499800000000, -0.0002335500000000, 0.0017773700000000 ] - [ -0.0004605300000000, -0.0002758600000000, -0.0009547500000000 ] - [ -0.0008928900000000, -0.0009079900000000, 0.0004980400000000 ] - [ 0.0011304000000000, -0.0005758300000000, 0.0010353400000000 ] - [ -0.0009708800000000, 0.0001260400000000, 0.0003852000000000 ] - [ 0.0009157800000000, -0.0004920100000000, 0.0003313700000000 ] - [ -0.0007643400000000, 0.0001283700000000, 0.0003575000000000 ] - [ 0.0021046500000000, 0.0003348000000000, -0.0015629000000000 ] - [ -0.0011242600000000, -0.0002521100000000, -0.0000190800000000 ] - [ 0.0034600300000000, 0.0010516200000000, -0.0017355500000000 ] - [ -0.0012110000000000, -0.0003110200000000, -0.0000175700000000 ] - [ 0.0022280400000000, -0.0003916100000000, -0.0004579500000000 ] - [ -0.0011371000000000, 0.0002723900000000, -0.0001406900000000 ] - [ 0.0066058200000000, -0.0002345300000000, -0.0004108000000000 ] - [ -0.0013362700000000, 0.0002572100000000, -0.0001372600000000 ] - [ 0.0068667000000000, 0.0004074300000000, 0.0018380700000000 ] - [ -0.0020119700000000, 0.0004226600000000, 0.0004797400000000 ] - [ 0.0025274200000000, 0.0068065000000000, -0.0027333900000000 ] - [ -0.0014021400000000, -0.0004880100000000, 0.0006833900000000 ] - [ 0.0003499100000000, -0.0000643800000000, -0.0005923500000000 ] - [ -0.0010113900000000, 0.0002277900000000, 0.0002145600000000 ] - [ 0.0004679900000000, 0.0006985600000000, -0.0003298800000000 ] - [ -0.0010879300000000, -0.0001193200000000, 0.0002679700000000 ] - [ 0.0074545900000000, -0.0012628700000000, 0.0007790000000000 ] - [ -0.0009225500000000, 0.0003886000000000, -0.0000537700000000 ] - [ 0.0028072600000000, -0.0014409000000000, -0.0007018600000000 ] - [ -0.0007110500000000, 0.0004165000000000, -0.0000299500000000 ] - [ 0.0029416500000000, -0.0004394700000000, 0.0006403500000000 ] - [ -0.0007582100000000, -0.0003217600000000, -0.0001092100000000 ] - [ 0.0020555600000000, -0.0004531900000000, 0.0001185000000000 ] - [ -0.0006457700000000, -0.0002477300000000, -0.0001010300000000 ] - [ 0.0004455600000000, -0.0062936600000000, 0.0023782900000000 ] - [ -0.0015501600000000, 0.0003862300000000, -0.0001071300000000 ] - [ 0.0095992300000000, 0.0000916400000000, -0.0010383200000000 ] - [ -0.0025748900000000, -0.0010784900000000, -0.0005022600000000 ] - [ 0.0010642900000000, 0.0000993900000000, -0.0018044000000000 ] - [ -0.0012721800000000, -0.0003359200000000, 0.0013685300000000 ] - [ 0.0005811000000000, -0.0000168400000000, -0.0010425200000000 ] - [ -0.0007660500000000, -0.0002618500000000, 0.0005817200000000 ] - [ 0.0045695300000000, 0.0017473600000000, -0.0054437500000000 ] - [ -0.0012354400000000, -0.0000204900000000, 0.0014086000000000 ] - [ 0.0066736200000000, -0.0045738300000000, -0.0070041400000000 ] - [ -0.0013806200000000, 0.0002968800000000, 0.0014925700000000 ] - [ 0.0010206700000000, 0.0006305300000000, 0.0002328800000000 ] - [ -0.0007410300000000, -0.0001201400000000, 0.0007083400000000 ] - [ 0.0013901700000000, 0.0004967400000000, -0.0004603100000000 ] - [ -0.0009349000000000, -0.0000894200000000, 0.0007075700000000 ] - [ -0.0035782000000000, -0.0017124300000000, 0.0045878100000000 ] - [ -0.0015962200000000, 0.0009870900000000, -0.0009131600000000 ] - [ -0.0026443800000000, 0.0039959100000000, 0.0026366300000000 ] - [ -0.0007994200000000, -0.0000931100000000, -0.0006023400000000 ] - [ -0.0862851400000000, 0.0053063600000000, 0.0066156100000000 ] - [ 0.0034071000000000, -0.0001912500000000, -0.0001713700000000 ] - [ -0.0061416500000000, -0.0001771600000000, -0.0005076900000000 ] - [ 0.0026119300000000, -0.0002177600000000, -0.0001212500000000 ] - [ -0.0022217300000000, 0.0026845300000000, 0.0049652300000000 ] - [ 0.0018140900000000, -0.0006512600000000, -0.0003115900000000 ] - [ -0.0022333100000000, -0.0024173700000000, 0.0040553500000000 ] - [ 0.0018146000000000, 0.0000731200000000, -0.0002748900000000 ] - [ -0.0026548300000000, 0.0004776400000000, -0.0013298700000000 ] - [ 0.0013194300000000, 0.0001362300000000, 0.0005990000000000 ] - [ -0.0008480300000000, -0.0001818500000000, -0.0098140500000000 ] - [ 0.0018143600000000, 0.0003524300000000, 0.0008845000000000 ] - [ -0.0016845200000000, 0.0003112300000000, -0.0003038600000000 ] - [ 0.0018136000000000, 0.0002131400000000, -0.0000813400000000 ] - [ -0.0015531200000000, 0.0002278100000000, -0.0002274600000000 ] - [ 0.0017333100000000, 0.0002125000000000, -0.0000947200000000 ] - [ 0.0147553200000000, 0.0011014400000000, 0.0022095800000000 ] - [ 0.0129731400000000, -0.0011076600000000, -0.0014670300000000 ] - [ 0.0014109800000000, -0.0002732800000000, 0.0006532600000000 ] - [ 0.0017972600000000, 0.0000036100000000, -0.0002929600000000 ] - [ -0.0005918900000000, -0.0034100200000000, -0.0047096500000000 ] - [ 0.0023789400000000, 0.0005970600000000, 0.0007874300000000 ] - [ -0.0005365600000000, 0.0033675200000000, -0.0058436100000000 ] - [ 0.0023882300000000, -0.0005921700000000, 0.0008475200000000 ] - [ -0.0005088700000000, -0.0002781400000000, 0.0012708700000000 ] - [ 0.0019349000000000, 0.0001130700000000, -0.0001119900000000 ] - [ -0.0003719300000000, 0.0007064800000000, 0.0060233800000000 ] - [ 0.0023694000000000, -0.0001380700000000, -0.0003021200000000 ] - [ -0.0000427100000000, 0.0003598800000000, -0.0004471700000000 ] - [ -0.0002199300000000, -0.0002255400000000, 0.0001753200000000 ] - [ -0.0001530500000000, -0.0002016800000000, -0.0005147500000000 ] - [ -0.0001736000000000, 0.0002717200000000, 0.0001321600000000 ]- atom: 113 displacement: [ -0.0099996587985401, 0.0000000000000000, 0.0000826069777877 ] forces: - [ -0.0041537400000000, -0.0101817200000000, 0.0065671300000000 ] - [ -0.0012006900000000, 0.0007615100000000, 0.0004358200000000 ] - [ -0.0023749400000000, 0.0151159900000000, -0.0004846700000000 ] - [ -0.0010054500000000, -0.0012557000000000, 0.0003851700000000 ] - [ 0.0016993900000000, -0.0011255100000000, 0.0004024900000000 ] - [ -0.0010288600000000, -0.0003788500000000, 0.0008482000000000 ] - [ 0.0007207000000000, -0.0002719100000000, -0.0004661000000000 ] - [ -0.0007929200000000, -0.0003514300000000, 0.0007742700000000 ] - [ 0.0040505400000000, -0.0016245500000000, -0.0030525600000000 ] - [ -0.0012532700000000, 0.0005619100000000, 0.0010395400000000 ] - [ 0.0050063000000000, -0.0016245100000000, -0.0039662500000000 ] - [ -0.0012364100000000, 0.0005782600000000, 0.0010784900000000 ] - [ 0.0006516300000000, 0.0000467200000000, -0.0006939800000000 ] - [ -0.0004473500000000, 0.0001277100000000, 0.0002551600000000 ] - [ 0.0009338300000000, 0.0009812700000000, -0.0008695400000000 ] - [ -0.0007455100000000, -0.0002473500000000, 0.0005309600000000 ] - [ -0.0022427700000000, -0.0005131500000000, 0.0046626300000000 ] - [ -0.0003665200000000, 0.0017220200000000, -0.0009861500000000 ] - [ -0.0015317700000000, 0.0012590900000000, 0.0029190600000000 ] - [ -0.0001660800000000, -0.0001559800000000, -0.0004771800000000 ] - [ 0.0002162000000000, 0.0006568200000000, -0.0002477300000000 ] - [ -0.0005820300000000, 0.0003774400000000, 0.0002468500000000 ] - [ 0.0004034500000000, 0.0006141000000000, -0.0002428300000000 ] - [ -0.0006856400000000, 0.0005226400000000, 0.0001354400000000 ] - [ 0.0013353300000000, 0.0152252600000000, -0.0074651500000000 ] - [ -0.0012407800000000, -0.0012556800000000, 0.0011241200000000 ] - [ 0.0023219800000000, -0.0180209400000000, -0.0069522900000000 ] - [ -0.0014852800000000, 0.0005997600000000, 0.0012187000000000 ] - [ 0.0007965300000000, -0.0010718400000000, -0.0022848900000000 ] - [ -0.0011265600000000, -0.0006224500000000, 0.0022497600000000 ] - [ 0.0006221000000000, -0.0007338400000000, -0.0008394300000000 ] - [ -0.0004930500000000, -0.0005485800000000, 0.0012624600000000 ] - [ -0.0005506200000000, -0.0007359700000000, -0.0000477100000000 ] - [ 0.0009703500000000, -0.0004951800000000, -0.0004753300000000 ] - [ -0.0003713900000000, -0.0006646200000000, -0.0002099200000000 ] - [ 0.0008199700000000, -0.0004558600000000, -0.0004906800000000 ] - [ 0.0004189800000000, 0.0011035400000000, -0.0015057700000000 ] - [ 0.0000922700000000, -0.0013947000000000, 0.0010283500000000 ] - [ 0.0007488300000000, -0.0007230900000000, -0.0011871200000000 ] - [ 0.0005661300000000, -0.0001645800000000, 0.0011237800000000 ] - [ 0.0001503800000000, 0.0010015200000000, 0.0010556900000000 ] - [ 0.0006553800000000, 0.0002108100000000, -0.0002981700000000 ] - [ 0.0010600800000000, 0.0001746200000000, 0.0027202600000000 ] - [ 0.0013116900000000, 0.0007810700000000, -0.0014867000000000 ] - [ -0.0187140300000000, 0.0075889500000000, 0.0021434000000000 ] - [ 0.0026676300000000, 0.0014880100000000, -0.0006247300000000 ] - [ -0.0013769000000000, 0.0078479500000000, -0.0011638800000000 ] - [ 0.0014656100000000, -0.0000023200000000, -0.0004052800000000 ] - [ 0.0013400100000000, -0.0000601900000000, -0.0021116000000000 ] - [ 0.0007879100000000, -0.0000451300000000, 0.0011231200000000 ] - [ 0.0007036200000000, -0.0006673100000000, -0.0014917800000000 ] - [ 0.0000006500000000, 0.0008435800000000, 0.0002818100000000 ] - [ -0.0004312900000000, 0.0003245900000000, 0.0003498300000000 ] - [ 0.0008682700000000, 0.0006388400000000, 0.0000758400000000 ] - [ -0.0004317100000000, 0.0005654400000000, 0.0006197700000000 ] - [ 0.0008425300000000, 0.0004401500000000, 0.0000988000000000 ] - [ 0.0004491300000000, -0.0073046700000000, 0.0001498100000000 ] - [ 0.0014475000000000, -0.0002906900000000, 0.0001062600000000 ] - [ -0.0144780400000000, -0.0011502600000000, 0.0020271100000000 ] - [ 0.0029792800000000, -0.0018191400000000, -0.0000355100000000 ] - [ 0.0009937800000000, 0.0000522500000000, 0.0017882000000000 ] - [ 0.0013824600000000, -0.0006225200000000, -0.0022689000000000 ] - [ 0.0001971200000000, -0.0005738500000000, 0.0004729800000000 ] - [ 0.0006200600000000, 0.0000553000000000, -0.0009783200000000 ] - [ -0.0011317900000000, 0.0004046600000000, -0.0005012800000000 ] - [ 0.0009617700000000, -0.0002955900000000, 0.0001472400000000 ] - [ -0.0009214600000000, 0.0003227600000000, 0.0002000100000000 ] - [ 0.0007541800000000, -0.0002981800000000, 0.0001753200000000 ] - [ -0.0020879500000000, -0.0004781500000000, 0.0010171000000000 ] - [ 0.0011321500000000, 0.0000812500000000, -0.0005111700000000 ] - [ -0.0034443300000000, -0.0012228800000000, 0.0011961000000000 ] - [ 0.0012192200000000, 0.0001422700000000, -0.0005134100000000 ] - [ -0.0022200200000000, 0.0005617800000000, -0.0000744300000000 ] - [ 0.0011456600000000, -0.0001036000000000, -0.0003928600000000 ] - [ -0.0066106200000000, 0.0004223700000000, -0.0001985200000000 ] - [ 0.0013447500000000, -0.0000875500000000, -0.0003974000000000 ] - [ -0.0065409800000000, 0.0001381600000000, -0.0012475300000000 ] - [ 0.0020059500000000, -0.0002592000000000, 0.0000534300000000 ] - [ -0.0025177600000000, -0.0066143600000000, 0.0032520500000000 ] - [ 0.0013920400000000, 0.0006600200000000, -0.0001520900000000 ] - [ -0.0010318100000000, 0.0005360000000000, 0.0006935400000000 ] - [ 0.0003235300000000, 0.0002412600000000, -0.0001152600000000 ] - [ -0.0011480000000000, -0.0002283300000000, 0.0004324700000000 ] - [ 0.0004001900000000, 0.0005911700000000, -0.0001690600000000 ] - [ -0.0067695600000000, 0.0017283400000000, -0.0008369000000000 ] - [ 0.0016085200000000, 0.0000810700000000, -0.0000448200000000 ] - [ -0.0021172200000000, 0.0019023700000000, 0.0006013100000000 ] - [ 0.0013967600000000, 0.0000546100000000, -0.0000695900000000 ] - [ -0.0022663500000000, 0.0000002600000000, -0.0007154700000000 ] - [ 0.0014444700000000, -0.0001491000000000, 0.0000074600000000 ] - [ -0.0013704000000000, -0.0000198500000000, -0.0002186300000000 ] - [ 0.0013320700000000, -0.0002215200000000, -0.0000005600000000 ] - [ -0.0011313900000000, 0.0058268200000000, -0.0022929300000000 ] - [ 0.0008627800000000, -0.0008611300000000, 0.0002084400000000 ] - [ -0.0097068400000000, -0.0009795100000000, 0.0009468700000000 ] - [ 0.0018935700000000, 0.0006181200000000, 0.0006063700000000 ] - [ -0.0011083000000000, -0.0003311300000000, 0.0011283000000000 ] - [ 0.0012164700000000, 0.0001044000000000, -0.0020414000000000 ] - [ -0.0006346000000000, -0.0002142800000000, 0.0003730000000000 ] - [ 0.0007074700000000, 0.0000294000000000, -0.0012486800000000 ] - [ -0.0045448100000000, -0.0019727500000000, 0.0061380200000000 ] - [ 0.0012918600000000, -0.0002134100000000, -0.0007383400000000 ] - [ -0.0066762300000000, 0.0043229900000000, 0.0076809800000000 ] - [ 0.0014360700000000, -0.0005268400000000, -0.0008211800000000 ] - [ -0.0009658700000000, -0.0003987300000000, 0.0004337300000000 ] - [ 0.0007990900000000, 0.0003519800000000, -0.0000430700000000 ] - [ -0.0013561600000000, -0.0002735400000000, 0.0011564800000000 ] - [ 0.0009922800000000, 0.0003217700000000, -0.0000434000000000 ] - [ 0.0035129600000000, 0.0019155400000000, -0.0052422900000000 ] - [ 0.0015404900000000, -0.0007600500000000, 0.0002535400000000 ] - [ 0.0025808000000000, -0.0037706400000000, -0.0033082800000000 ] - [ 0.0007377700000000, 0.0003280300000000, -0.0000607500000000 ] - [ 0.0874414800000000, -0.0058675500000000, -0.0068538500000000 ] - [ -0.0028598400000000, -0.0002782200000000, -0.0001324800000000 ] - [ 0.0066885700000000, -0.0002927400000000, 0.0002013900000000 ] - [ -0.0020654900000000, -0.0002505500000000, -0.0001820200000000 ] - [ 0.0016501200000000, -0.0031583500000000, -0.0046644000000000 ] - [ -0.0023596700000000, 0.0001856900000000, 0.0006181900000000 ] - [ 0.0016536300000000, 0.0019550800000000, -0.0037475200000000 ] - [ -0.0023597900000000, -0.0005448300000000, 0.0005804800000000 ] - [ 0.0020978400000000, -0.0000097000000000, 0.0016326600000000 ] - [ -0.0018626100000000, 0.0003339400000000, -0.0002974800000000 ] - [ 0.0002630800000000, 0.0006518700000000, 0.0100802900000000 ] - [ -0.0023600300000000, 0.0001147400000000, -0.0005854100000000 ] - [ 0.0022281500000000, 0.0001530200000000, 0.0000002400000000 ] - [ -0.0012674200000000, 0.0002564800000000, -0.0002219800000000 ] - [ 0.0020975600000000, 0.0002451300000000, -0.0000767800000000 ] - [ -0.0011870100000000, 0.0002553600000000, -0.0002085300000000 ] - [ -0.0152500600000000, -0.0011874900000000, -0.0023844400000000 ] - [ -0.0137764700000000, 0.0010138900000000, 0.0012899100000000 ] - [ -0.0020696500000000, 0.0001644600000000, -0.0008521100000000 ] - [ -0.0024449100000000, -0.0001089200000000, 0.0000944700000000 ] - [ 0.0012634300000000, 0.0033086900000000, 0.0049223800000000 ] - [ -0.0017283400000000, -0.0006985500000000, -0.0005854000000000 ] - [ 0.0012158000000000, -0.0034845400000000, 0.0060671600000000 ] - [ -0.0017352200000000, 0.0004801800000000, -0.0006447300000000 ] - [ 0.0011705700000000, 0.0003822600000000, -0.0010705300000000 ] - [ -0.0012846800000000, -0.0000051000000000, 0.0003094200000000 ] - [ 0.0010601800000000, -0.0005996000000000, -0.0058352900000000 ] - [ -0.0017180500000000, 0.0002428100000000, 0.0004980000000000 ] - [ -0.0006156200000000, -0.0002528100000000, 0.0002458000000000 ] - [ -0.0004235200000000, 0.0003325500000000, -0.0003745600000000 ] - [ -0.0005047800000000, 0.0003074000000000, 0.0003141900000000 ] - [ -0.0004716800000000, -0.0001647300000000, -0.0003306100000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0077204700000000, 0.0098482600000000, -0.0086060000000000 ] - [ -0.0006638600000000, 0.0001772000000000, 0.0001837400000000 ] - [ -0.0057459700000000, 0.0079173500000000, 0.0030299900000000 ] - [ 0.0008867800000000, -0.0003645200000000, -0.0004858200000000 ] - [ 0.0021320900000000, -0.0085518600000000, -0.0044006100000000 ] - [ -0.0001025800000000, -0.0005912000000000, 0.0001877600000000 ] - [ -0.0003500600000000, 0.0026322400000000, 0.0011981900000000 ] - [ -0.0001126900000000, 0.0001030200000000, 0.0003127800000000 ] - [ 0.0016826900000000, 0.0037935000000000, -0.0093162000000000 ] - [ -0.0000191800000000, 0.0000471200000000, 0.0001331900000000 ] - [ -0.0048913700000000, 0.0067161000000000, 0.0069492800000000 ] - [ -0.0001967200000000, 0.0004446700000000, 0.0003659600000000 ] - [ 0.0002601600000000, 0.0014445700000000, -0.0002453100000000 ] - [ 0.0001453100000000, 0.0005768300000000, -0.0002621200000000 ] - [ -0.0001398600000000, -0.0010493400000000, -0.0006183400000000 ] - [ 0.0001581800000000, -0.0001027000000000, -0.0003357900000000 ] - [ 0.0024828100000000, 0.0003483900000000, -0.0035699900000000 ] - [ -0.0005757000000000, 0.0002843100000000, -0.0006376700000000 ] - [ -0.0015792800000000, 0.0010764500000000, 0.0025487700000000 ] - [ 0.0007198800000000, 0.0012617200000000, 0.0006796500000000 ] - [ -0.0001665000000000, 0.0014937300000000, 0.0000495300000000 ] - [ -0.0000570700000000, 0.0008872900000000, -0.0001064600000000 ] - [ 0.0005000900000000, -0.0007474400000000, -0.0012772900000000 ] - [ -0.0001568500000000, 0.0001403300000000, -0.0001720100000000 ] - [ -0.0068937700000000, 0.0146801700000000, -0.0014513800000000 ] - [ 0.0002919200000000, -0.0004130900000000, -0.0001226800000000 ] - [ 0.0094261500000000, 0.0138786600000000, -0.0001122400000000 ] - [ -0.0004838300000000, -0.0004925800000000, -0.0000886900000000 ] - [ -0.0003318600000000, -0.0031050000000000, 0.0002498700000000 ] - [ -0.0000376600000000, -0.0025879700000000, 0.0001042600000000 ] - [ 0.0002304400000000, 0.0012593900000000, 0.0001220300000000 ] - [ 0.0002981000000000, 0.0010697100000000, 0.0000453900000000 ] - [ 0.0002474500000000, 0.0007865600000000, 0.0002153600000000 ] - [ 0.0000536200000000, -0.0002191900000000, -0.0002684700000000 ] - [ 0.0000596700000000, -0.0014647300000000, -0.0003888900000000 ] - [ 0.0002682500000000, -0.0007979600000000, -0.0003759300000000 ] - [ -0.0009147900000000, -0.0014233600000000, 0.0016038000000000 ] - [ 0.0003931500000000, -0.0006675200000000, 0.0008136600000000 ] - [ 0.0004851500000000, -0.0000767100000000, -0.0006703100000000 ] - [ -0.0008274200000000, -0.0004843400000000, -0.0002427800000000 ] - [ -0.0008318400000000, -0.0009690300000000, -0.0000687300000000 ] - [ 0.0005244500000000, -0.0007244100000000, 0.0000395700000000 ] - [ 0.0009784100000000, 0.0021128700000000, 0.0010728900000000 ] - [ -0.0012139100000000, 0.0019789600000000, 0.0008748900000000 ] - [ -0.0111289300000000, 0.0136617100000000, 0.0009267200000000 ] - [ -0.0001524100000000, 0.0007086500000000, -0.0004453800000000 ] - [ -0.0015039700000000, -0.0055267600000000, 0.0013242000000000 ] - [ 0.0004070800000000, 0.0003388100000000, -0.0002821600000000 ] - [ -0.0008804200000000, 0.0020065600000000, 0.0009916300000000 ] - [ 0.0002054300000000, 0.0012946400000000, 0.0003051100000000 ] - [ 0.0003831600000000, -0.0008052500000000, -0.0010769300000000 ] - [ -0.0001819300000000, -0.0005033100000000, -0.0005810500000000 ] - [ 0.0003121100000000, -0.0000415900000000, 0.0005372600000000 ] - [ -0.0000426700000000, 0.0002105400000000, 0.0003071100000000 ] - [ -0.0002503800000000, 0.0007060900000000, 0.0003863100000000 ] - [ 0.0003109600000000, 0.0006389200000000, 0.0002162500000000 ] - [ 0.0021495700000000, -0.0071910100000000, -0.0012434500000000 ] - [ -0.0000819500000000, -0.0008836700000000, 0.0001539500000000 ] - [ 0.0025786800000000, 0.0069351200000000, 0.0001726800000000 ] - [ 0.0003640500000000, 0.0000868700000000, 0.0003632700000000 ] - [ -0.0009605400000000, 0.0012250500000000, -0.0012478100000000 ] - [ 0.0010267500000000, 0.0010035200000000, -0.0009400700000000 ] - [ 0.0004671800000000, -0.0016862700000000, 0.0002467800000000 ] - [ -0.0011725200000000, -0.0018145700000000, 0.0001341800000000 ] - [ -0.0002287700000000, 0.0009066900000000, 0.0003527100000000 ] - [ 0.0000103200000000, 0.0001330000000000, 0.0003591300000000 ] - [ 0.0001700100000000, -0.0009751600000000, 0.0002620900000000 ] - [ -0.0000480700000000, -0.0002832800000000, 0.0002443100000000 ] - [ -0.0013296200000000, -0.0020286200000000, 0.0029200300000000 ] - [ 0.0000263200000000, -0.0001177700000000, -0.0001807000000000 ] - [ 0.0014913100000000, 0.0001114700000000, -0.0037909100000000 ] - [ -0.0000359300000000, -0.0000518300000000, -0.0003252700000000 ] - [ 0.0003548400000000, -0.0024158300000000, -0.0014573800000000 ] - [ 0.0000153500000000, -0.0001386500000000, -0.0003369600000000 ] - [ -0.0008972200000000, 0.0068835500000000, -0.0020642400000000 ] - [ -0.0000473500000000, 0.0003176000000000, -0.0002035600000000 ] - [ 0.0022019200000000, 0.0076441500000000, 0.0022836000000000 ] - [ 0.0002076600000000, 0.0003121100000000, 0.0000560800000000 ] - [ 0.0026053400000000, -0.0055471600000000, 0.0009667700000000 ] - [ -0.0002475900000000, -0.0001396400000000, 0.0003868900000000 ] - [ -0.0005690000000000, -0.0006529300000000, -0.0005808000000000 ] - [ -0.0002829600000000, 0.0000045300000000, 0.0000457800000000 ] - [ 0.0000583900000000, 0.0009722100000000, 0.0007336900000000 ] - [ -0.0004471000000000, 0.0004661800000000, 0.0000833300000000 ] - [ -0.0001315900000000, 0.0065065300000000, -0.0019280500000000 ] - [ 0.0003165600000000, 0.0005042300000000, 0.0000025900000000 ] - [ 0.0014683900000000, -0.0049196400000000, -0.0010941100000000 ] - [ 0.0003451400000000, -0.0000319100000000, -0.0001113300000000 ] - [ 0.0000476900000000, 0.0054034100000000, -0.0016390500000000 ] - [ 0.0002978900000000, 0.0000257500000000, -0.0000828600000000 ] - [ 0.0004758000000000, -0.0028568600000000, 0.0003578600000000 ] - [ 0.0003515100000000, -0.0004992700000000, -0.0000128600000000 ] - [ -0.0015057000000000, -0.0067599700000000, 0.0017342700000000 ] - [ -0.0000964600000000, -0.0007820700000000, -0.0000563300000000 ] - [ -0.0029285900000000, 0.0054526000000000, 0.0007944200000000 ] - [ -0.0007320700000000, 0.0003412200000000, 0.0001429200000000 ] - [ 0.0002856800000000, 0.0007341000000000, -0.0004294300000000 ] - [ 0.0000750500000000, 0.0003833700000000, -0.0003798200000000 ] - [ -0.0001226500000000, -0.0008205100000000, -0.0001659600000000 ] - [ -0.0001706900000000, -0.0005182300000000, -0.0002265000000000 ] - [ 0.0007191600000000, -0.0037527600000000, 0.0046149700000000 ] - [ -0.0001379600000000, -0.0001083600000000, 0.0004354900000000 ] - [ -0.0008853800000000, -0.0055597500000000, -0.0069485300000000 ] - [ 0.0001661100000000, -0.0001387100000000, 0.0002176200000000 ] - [ -0.0002130000000000, -0.0008786500000000, -0.0000483900000000 ] - [ -0.0000459200000000, -0.0000542500000000, 0.0003278300000000 ] - [ -0.0010383700000000, 0.0011923600000000, 0.0027975300000000 ] - [ 0.0000927300000000, 0.0002861300000000, 0.0003698200000000 ] - [ -0.0042593000000000, 0.0007408400000000, 0.0049995700000000 ] - [ 0.0008466900000000, 0.0001456900000000, -0.0002159500000000 ] - [ 0.0025664800000000, -0.0023848700000000, -0.0034291700000000 ] - [ -0.0006001000000000, -0.0000711200000000, -0.0004479800000000 ] - [ 0.0061434100000000, -0.0656657400000000, 0.0100306900000000 ] - [ 0.0003163800000000, -0.0007436000000000, -0.0001295700000000 ] - [ 0.0003305200000000, 0.0071809600000000, -0.0001306200000000 ] - [ 0.0002892500000000, 0.0002414300000000, -0.0001384200000000 ] - [ 0.0019712800000000, 0.0022307100000000, 0.0061676800000000 ] - [ -0.0005806300000000, -0.0001970100000000, 0.0003505700000000 ] - [ -0.0032314700000000, 0.0022416300000000, -0.0047388800000000 ] - [ 0.0001440900000000, -0.0001949100000000, -0.0000458400000000 ] - [ -0.0000318700000000, 0.0031606400000000, -0.0005363800000000 ] - [ -0.0003734700000000, 0.0008676900000000, 0.0000914300000000 ] - [ -0.0006814700000000, -0.0050285700000000, 0.0028588600000000 ] - [ -0.0001532400000000, -0.0004721800000000, 0.0002313500000000 ] - [ 0.0001859300000000, -0.0002376200000000, -0.0011051000000000 ] - [ 0.0002938900000000, 0.0001729500000000, -0.0002104900000000 ] - [ 0.0002855800000000, 0.0009926300000000, 0.0003212000000000 ] - [ 0.0002943800000000, 0.0002986900000000, -0.0001283800000000 ] - [ 0.0007810100000000, -0.0060615000000000, -0.0003271500000000 ] - [ -0.0013454800000000, -0.0062443900000000, -0.0000095900000000 ] - [ -0.0008050600000000, 0.0029761700000000, -0.0000489800000000 ] - [ -0.0001339600000000, 0.0029293900000000, -0.0000477200000000 ] - [ -0.0021362500000000, 0.0025601800000000, 0.0048193600000000 ] - [ 0.0008758600000000, 0.0001037000000000, 0.0003750500000000 ] - [ 0.0039792400000000, 0.0026560400000000, -0.0049322500000000 ] - [ -0.0001567800000000, -0.0000767000000000, -0.0001030900000000 ] - [ -0.0002279500000000, 0.0030266100000000, -0.0009929600000000 ] - [ 0.0004933000000000, 0.0007212900000000, 0.0000333500000000 ] - [ 0.0008417000000000, -0.0045631900000000, 0.0023270800000000 ] - [ 0.0002258500000000, -0.0006537400000000, 0.0001656400000000 ] - [ -0.0000827600000000, -0.0002718100000000, -0.0004378900000000 ] - [ -0.0005265500000000, -0.0002315600000000, -0.0004441400000000 ] - [ -0.0006252500000000, 0.0003977000000000, 0.0000884600000000 ] - [ -0.0000562000000000, 0.0004137300000000, 0.0001081400000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0073994600000000, -0.0102934300000000, 0.0080935900000000 ] - [ 0.0008996800000000, -0.0006596800000000, -0.0006935700000000 ] - [ 0.0060558400000000, -0.0083441100000000, -0.0036002200000000 ] - [ -0.0006493900000000, -0.0001097300000000, -0.0000247300000000 ] - [ -0.0023455700000000, 0.0080393000000000, 0.0048505500000000 ] - [ -0.0001328300000000, 0.0001114500000000, 0.0003241400000000 ] - [ 0.0001094900000000, -0.0031057400000000, -0.0006762600000000 ] - [ -0.0001223000000000, -0.0005813700000000, 0.0001993100000000 ] - [ -0.0018963700000000, -0.0033840300000000, 0.0097435300000000 ] - [ -0.0002172800000000, 0.0004305900000000, 0.0003784100000000 ] - [ 0.0046673100000000, -0.0062493300000000, -0.0064667600000000 ] - [ -0.0000400500000000, 0.0000356400000000, 0.0001456300000000 ] - [ -0.0000245500000000, -0.0009662500000000, -0.0002661100000000 ] - [ 0.0000890400000000, -0.0000986400000000, -0.0002493200000000 ] - [ 0.0003731300000000, 0.0015316400000000, 0.0001038700000000 ] - [ 0.0000777700000000, 0.0005823600000000, -0.0001769600000000 ] - [ -0.0022608100000000, 0.0006894800000000, 0.0037963500000000 ] - [ 0.0007936700000000, 0.0007503100000000, 0.0008703800000000 ] - [ 0.0017994500000000, -0.0000282800000000, -0.0023177200000000 ] - [ -0.0005025900000000, -0.0002136000000000, -0.0004457100000000 ] - [ -0.0000543400000000, -0.0004521200000000, -0.0002801400000000 ] - [ -0.0001622700000000, 0.0001551900000000, -0.0001260200000000 ] - [ -0.0007138000000000, 0.0017901000000000, 0.0010344500000000 ] - [ -0.0000631400000000, 0.0009021200000000, -0.0000613200000000 ] - [ 0.0065494900000000, -0.0156579600000000, 0.0012290500000000 ] - [ -0.0005108400000000, -0.0006334500000000, -0.0001097300000000 ] - [ -0.0098418600000000, -0.0149852700000000, -0.0001414400000000 ] - [ 0.0002631300000000, -0.0005456500000000, -0.0001440400000000 ] - [ 0.0005456000000000, 0.0020563800000000, -0.0000188000000000 ] - [ 0.0002593500000000, 0.0015426000000000, 0.0001273200000000 ] - [ -0.0000108600000000, -0.0023011200000000, 0.0001126500000000 ] - [ -0.0000796900000000, -0.0021097700000000, 0.0001892700000000 ] - [ 0.0000829800000000, -0.0018079300000000, -0.0008973300000000 ] - [ 0.0002800700000000, -0.0008049700000000, -0.0004151800000000 ] - [ 0.0002742700000000, 0.0004382300000000, -0.0002935000000000 ] - [ 0.0000649600000000, -0.0002270600000000, -0.0003081600000000 ] - [ 0.0005796500000000, 0.0004009000000000, -0.0009172100000000 ] - [ -0.0007213800000000, -0.0003523700000000, -0.0001278600000000 ] - [ -0.0008153800000000, -0.0009537600000000, 0.0013539100000000 ] - [ 0.0004936000000000, -0.0005445100000000, 0.0009276500000000 ] - [ 0.0004953000000000, 0.0019936200000000, 0.0007512800000000 ] - [ -0.0008544700000000, 0.0017474800000000, 0.0006419900000000 ] - [ -0.0013058400000000, -0.0010910200000000, -0.0003850600000000 ] - [ 0.0008780900000000, -0.0009544700000000, -0.0001891000000000 ] - [ 0.0108531900000000, -0.0122360600000000, -0.0015532600000000 ] - [ 0.0004877100000000, 0.0003196500000000, -0.0002399400000000 ] - [ 0.0018683200000000, 0.0065351300000000, -0.0020039100000000 ] - [ -0.0000757700000000, 0.0006824400000000, -0.0004017500000000 ] - [ 0.0006125700000000, -0.0011495300000000, -0.0014696600000000 ] - [ -0.0004774600000000, -0.0004380900000000, -0.0007858800000000 ] - [ -0.0006528500000000, 0.0016538900000000, 0.0005975300000000 ] - [ -0.0000829300000000, 0.0013510100000000, 0.0001015400000000 ] - [ -0.0000426100000000, 0.0008963300000000, -0.0000567900000000 ] - [ 0.0003117700000000, 0.0006417500000000, 0.0001724100000000 ] - [ 0.0005170100000000, 0.0001396700000000, 0.0000964000000000 ] - [ -0.0000414100000000, 0.0002123700000000, 0.0002633600000000 ] - [ -0.0018606600000000, 0.0063449900000000, 0.0017182700000000 ] - [ 0.0003480800000000, 0.0000355700000000, 0.0003264600000000 ] - [ -0.0025957000000000, -0.0080051300000000, 0.0002958200000000 ] - [ -0.0000918200000000, -0.0009409100000000, 0.0001169900000000 ] - [ 0.0006912800000000, -0.0020707500000000, 0.0007679900000000 ] - [ -0.0012953200000000, -0.0018501700000000, 0.0004609200000000 ] - [ -0.0007379600000000, 0.0008327500000000, -0.0007296200000000 ] - [ 0.0009038200000000, 0.0009597600000000, -0.0006153900000000 ] - [ 0.0002210300000000, -0.0010747800000000, 0.0001772200000000 ] - [ -0.0000193000000000, -0.0003018400000000, 0.0001739600000000 ] - [ -0.0001796100000000, 0.0008053500000000, 0.0002716100000000 ] - [ 0.0000398000000000, 0.0001139800000000, 0.0002888700000000 ] - [ 0.0013338900000000, 0.0018806600000000, -0.0034458300000000 ] - [ -0.0000169400000000, -0.0000505600000000, -0.0003519000000000 ] - [ -0.0014922000000000, -0.0002903500000000, 0.0032716300000000 ] - [ 0.0000452300000000, -0.0001176000000000, -0.0002077200000000 ] - [ -0.0003435700000000, 0.0025789500000000, 0.0009111600000000 ] - [ -0.0000064600000000, 0.0003079000000000, -0.0001958900000000 ] - [ 0.0008982800000000, -0.0066968300000000, 0.0015905400000000 ] - [ 0.0000561300000000, -0.0001484700000000, -0.0003289700000000 ] - [ -0.0017660500000000, -0.0070050800000000, -0.0016671600000000 ] - [ -0.0002167300000000, -0.0001409200000000, 0.0004756700000000 ] - [ -0.0026665200000000, 0.0057285100000000, -0.0004171300000000 ] - [ 0.0002394500000000, 0.0003064000000000, 0.0001459200000000 ] - [ -0.0001176600000000, 0.0011242900000000, 0.0006785700000000 ] - [ -0.0004029800000000, 0.0004661500000000, 0.0000545000000000 ] - [ -0.0007436000000000, -0.0005077200000000, -0.0006324500000000 ] - [ -0.0002394600000000, 0.0000027000000000, 0.0000174100000000 ] - [ 0.0008107100000000, -0.0060175900000000, 0.0017473800000000 ] - [ 0.0003697100000000, -0.0000334100000000, -0.0001032700000000 ] - [ -0.0007833700000000, 0.0053885900000000, 0.0010018300000000 ] - [ 0.0003413100000000, 0.0005005800000000, 0.0000108500000000 ] - [ 0.0006370500000000, -0.0058393900000000, 0.0015362400000000 ] - [ 0.0003885700000000, -0.0004951300000000, -0.0000178400000000 ] - [ 0.0002121400000000, 0.0023795400000000, -0.0004632600000000 ] - [ 0.0003348900000000, 0.0000286500000000, -0.0000873800000000 ] - [ 0.0007986700000000, 0.0062952300000000, -0.0016386800000000 ] - [ -0.0005873200000000, 0.0003146900000000, 0.0001572600000000 ] - [ 0.0024957700000000, -0.0060993400000000, -0.0007753900000000 ] - [ 0.0000436300000000, -0.0008129400000000, -0.0000433000000000 ] - [ -0.0003397700000000, -0.0009657200000000, -0.0002362000000000 ] - [ -0.0001330500000000, -0.0006154000000000, -0.0002858900000000 ] - [ 0.0000654900000000, 0.0005874400000000, -0.0005023800000000 ] - [ 0.0001148900000000, 0.0002852500000000, -0.0004418200000000 ] - [ -0.0006380100000000, 0.0034996700000000, -0.0038910300000000 ] - [ 0.0001949400000000, -0.0001233600000000, 0.0002316700000000 ] - [ 0.0009345800000000, 0.0052650000000000, 0.0076261500000000 ] - [ -0.0001084200000000, -0.0000953300000000, 0.0004492800000000 ] - [ 0.0002721000000000, 0.0011121300000000, 0.0007104500000000 ] - [ 0.0001028800000000, 0.0002862900000000, 0.0003391000000000 ] - [ 0.0010818100000000, -0.0009617800000000, -0.0021108200000000 ] - [ -0.0000352300000000, -0.0000533700000000, 0.0002973400000000 ] - [ 0.0041863300000000, -0.0004996100000000, -0.0056491200000000 ] - [ -0.0009039300000000, 0.0000895900000000, -0.0004523700000000 ] - [ -0.0026296300000000, 0.0025953300000000, 0.0027674800000000 ] - [ 0.0005445100000000, 0.0003012400000000, -0.0002203300000000 ] - [ -0.0051928700000000, 0.0647328300000000, -0.0103816100000000 ] - [ 0.0002290100000000, 0.0002741100000000, -0.0001736600000000 ] - [ 0.0002145100000000, -0.0076464700000000, -0.0001712400000000 ] - [ 0.0002563500000000, -0.0007097500000000, -0.0001649700000000 ] - [ -0.0025006600000000, -0.0027048400000000, -0.0058366800000000 ] - [ 0.0000340500000000, -0.0002738700000000, -0.0000469200000000 ] - [ 0.0026925700000000, -0.0026938400000000, 0.0050695300000000 ] - [ -0.0006895800000000, -0.0002717300000000, 0.0003490900000000 ] - [ -0.0005080400000000, -0.0026907300000000, 0.0008334500000000 ] - [ -0.0001746700000000, -0.0003986100000000, 0.0002116500000000 ] - [ 0.0001080900000000, 0.0055127500000000, -0.0025096600000000 ] - [ -0.0003922100000000, 0.0009409200000000, 0.0000727400000000 ] - [ 0.0003599700000000, 0.0006984900000000, 0.0008011600000000 ] - [ 0.0002515800000000, 0.0002948500000000, -0.0000933200000000 ] - [ 0.0002604400000000, -0.0005177100000000, -0.0006280000000000 ] - [ 0.0002511100000000, 0.0001710800000000, -0.0001752100000000 ] - [ -0.0014818600000000, 0.0059396500000000, 0.0001237700000000 ] - [ 0.0007266600000000, 0.0061242400000000, -0.0001917300000000 ] - [ 0.0001643400000000, -0.0030852500000000, -0.0001499300000000 ] - [ -0.0005280500000000, -0.0030320900000000, -0.0001500100000000 ] - [ 0.0027695000000000, -0.0026692000000000, -0.0045973300000000 ] - [ -0.0002236600000000, -0.0002127600000000, -0.0001757900000000 ] - [ -0.0033423400000000, -0.0027472800000000, 0.0051522600000000 ] - [ 0.0008083900000000, -0.0000261300000000, 0.0003024100000000 ] - [ 0.0008742200000000, -0.0029153200000000, 0.0011794400000000 ] - [ 0.0001595200000000, -0.0006147600000000, 0.0001655000000000 ] - [ -0.0001731700000000, 0.0046910800000000, -0.0021034100000000 ] - [ 0.0004247000000000, 0.0007595900000000, 0.0000339400000000 ] - [ -0.0005701400000000, 0.0003747100000000, 0.0002378200000000 ] - [ -0.0001249500000000, 0.0003342300000000, 0.0002440200000000 ] - [ -0.0000268300000000, -0.0002883200000000, -0.0002872500000000 ] - [ -0.0005960300000000, -0.0003039000000000, -0.0003085600000000 ]- atom: 113 displacement: [ -0.0004367987813524, 0.0000000000000000, 0.0099904557866300 ] forces: - [ 0.0005927700000000, -0.0012466800000000, -0.0048325200000000 ] - [ 0.0004888500000000, -0.0002479700000000, -0.0009377600000000 ] - [ -0.0001595300000000, 0.0058776300000000, -0.0028337000000000 ] - [ 0.0004017600000000, -0.0004502000000000, -0.0007902900000000 ] - [ -0.0073705600000000, 0.0032751400000000, 0.0191481200000000 ] - [ -0.0000581500000000, -0.0002507300000000, 0.0003084500000000 ] - [ -0.0004588400000000, -0.0012910100000000, 0.0005791200000000 ] - [ -0.0001258200000000, -0.0003489400000000, 0.0003299600000000 ] - [ 0.0012764100000000, -0.0184881100000000, 0.0057210500000000 ] - [ -0.0001785200000000, 0.0001548800000000, 0.0002249700000000 ] - [ -0.0017284100000000, 0.0039483600000000, 0.0022926900000000 ] - [ -0.0001796400000000, 0.0002354200000000, 0.0002113400000000 ] - [ -0.0003328500000000, 0.0007641600000000, 0.0008260200000000 ] - [ -0.0001414500000000, 0.0001866500000000, 0.0002074300000000 ] - [ -0.0003621800000000, 0.0010203600000000, 0.0029814900000000 ] - [ -0.0003859000000000, 0.0001090100000000, 0.0005225900000000 ] - [ -0.0008622900000000, -0.0000292800000000, 0.0012645000000000 ] - [ 0.0011393400000000, -0.0004144600000000, -0.0010405500000000 ] - [ -0.0003604700000000, 0.0013568400000000, 0.0003762700000000 ] - [ 0.0006621800000000, 0.0010434300000000, -0.0007070500000000 ] - [ -0.0009031100000000, 0.0005774300000000, 0.0014449500000000 ] - [ -0.0002031200000000, 0.0005269900000000, 0.0002220800000000 ] - [ -0.0034472900000000, 0.0011691600000000, 0.0057461700000000 ] - [ -0.0001325700000000, 0.0005424100000000, 0.0003772500000000 ] - [ 0.0042916400000000, 0.0012260400000000, -0.0074942400000000 ] - [ -0.0001392900000000, -0.0005274500000000, -0.0004797000000000 ] - [ 0.0054518900000000, -0.0005781800000000, -0.0091427200000000 ] - [ -0.0001653500000000, -0.0004348100000000, -0.0004436900000000 ] - [ 0.0014235700000000, 0.0004552100000000, 0.0007514700000000 ] - [ -0.0008930300000000, -0.0005536800000000, 0.0013322500000000 ] - [ 0.0000036000000000, -0.0006239700000000, 0.0004749800000000 ] - [ -0.0001688600000000, -0.0007211200000000, 0.0008412900000000 ] - [ 0.0007256800000000, -0.0016389300000000, -0.0039376300000000 ] - [ 0.0001594900000000, -0.0005938400000000, -0.0007759400000000 ] - [ 0.0002991600000000, -0.0006105800000000, -0.0013970300000000 ] - [ 0.0001905100000000, -0.0005273100000000, -0.0006288100000000 ] - [ 0.0004268100000000, -0.0000166800000000, -0.0002994900000000 ] - [ -0.0008209200000000, -0.0001781400000000, 0.0002189200000000 ] - [ 0.0012046700000000, -0.0015758200000000, -0.0001194300000000 ] - [ -0.0014448500000000, -0.0012742100000000, 0.0003012800000000 ] - [ -0.0007422400000000, 0.0001002700000000, 0.0005248400000000 ] - [ 0.0003826700000000, 0.0002811700000000, 0.0003334700000000 ] - [ -0.0022100300000000, 0.0004084100000000, 0.0001465300000000 ] - [ 0.0011429300000000, 0.0004365100000000, 0.0002212700000000 ] - [ -0.0015820600000000, -0.0000463900000000, 0.0063426400000000 ] - [ 0.0002704100000000, 0.0004660600000000, 0.0000500900000000 ] - [ -0.0006089500000000, 0.0003960600000000, 0.0024317600000000 ] - [ 0.0002382200000000, 0.0004562900000000, 0.0000125300000000 ] - [ 0.0010749800000000, 0.0008515200000000, -0.0008430400000000 ] - [ -0.0020927000000000, 0.0013332400000000, -0.0005311000000000 ] - [ 0.0004022800000000, -0.0000357400000000, -0.0006886300000000 ] - [ -0.0007224600000000, 0.0004408200000000, -0.0003191600000000 ] - [ 0.0002456300000000, 0.0005692100000000, -0.0011051800000000 ] - [ 0.0001807400000000, 0.0004618700000000, -0.0000966900000000 ] - [ 0.0011593300000000, 0.0013085300000000, -0.0030447200000000 ] - [ 0.0001316200000000, 0.0005036400000000, -0.0002164400000000 ] - [ -0.0007986400000000, -0.0009010300000000, 0.0024728700000000 ] - [ 0.0001857500000000, -0.0003915900000000, 0.0005957000000000 ] - [ -0.0019467000000000, 0.0006978000000000, 0.0078957600000000 ] - [ 0.0002893700000000, -0.0003526000000000, 0.0007327500000000 ] - [ -0.0012279400000000, -0.0009273200000000, 0.0000580300000000 ] - [ 0.0012966100000000, -0.0005033900000000, -0.0004319500000000 ] - [ -0.0008898700000000, 0.0000908300000000, -0.0000072200000000 ] - [ 0.0008370100000000, 0.0004454000000000, -0.0003091900000000 ] - [ 0.0005084500000000, -0.0005117200000000, -0.0032577200000000 ] - [ 0.0000687200000000, -0.0002239500000000, -0.0003903400000000 ] - [ 0.0003026600000000, -0.0002807800000000, -0.0010219000000000 ] - [ 0.0000437800000000, -0.0001475100000000, -0.0001564500000000 ] - [ 0.0013760600000000, 0.0059623300000000, -0.0052120700000000 ] - [ -0.0000364200000000, -0.0001176800000000, -0.0003923100000000 ] - [ 0.0001353000000000, -0.0022423600000000, -0.0028519500000000 ] - [ -0.0000478300000000, -0.0001813000000000, -0.0003916300000000 ] - [ 0.0001597400000000, -0.0005264500000000, 0.0003106900000000 ] - [ 0.0000767300000000, 0.0000001900000000, -0.0001577000000000 ] - [ 0.0018214900000000, -0.0060766400000000, 0.0186882900000000 ] - [ 0.0001049600000000, 0.0000253100000000, -0.0001320900000000 ] - [ 0.0005714500000000, 0.0007409900000000, 0.0072605100000000 ] - [ 0.0000418200000000, -0.0001151200000000, 0.0008539000000000 ] - [ -0.0015154600000000, -0.0011199000000000, 0.0040209700000000 ] - [ -0.0000256500000000, 0.0000753400000000, 0.0007220900000000 ] - [ -0.0005304500000000, -0.0002867300000000, -0.0010758000000000 ] - [ -0.0003197000000000, 0.0002557800000000, -0.0002451300000000 ] - [ -0.0008582700000000, 0.0002309900000000, -0.0019746500000000 ] - [ -0.0002246100000000, 0.0003579800000000, -0.0003164300000000 ] - [ 0.0003757700000000, 0.0015289800000000, 0.0102920000000000 ] - [ 0.0003993800000000, 0.0003075100000000, 0.0000733100000000 ] - [ 0.0009499600000000, -0.0019413200000000, 0.0001465300000000 ] - [ 0.0003793000000000, 0.0002534500000000, 0.0000521100000000 ] - [ 0.0016402600000000, -0.0068907400000000, -0.0072963000000000 ] - [ 0.0003248200000000, -0.0002407100000000, -0.0001551400000000 ] - [ 0.0004835100000000, 0.0013234000000000, -0.0009799800000000 ] - [ 0.0003379300000000, -0.0001157600000000, -0.0001814800000000 ] - [ -0.0004498500000000, -0.0007893700000000, 0.0015473200000000 ] - [ -0.0004158300000000, -0.0002148000000000, 0.0003512600000000 ] - [ -0.0026828100000000, -0.0000482000000000, 0.0062371500000000 ] - [ -0.0002466300000000, -0.0000592500000000, 0.0004763100000000 ] - [ -0.0005414000000000, -0.0000567200000000, -0.0021405300000000 ] - [ 0.0005404100000000, -0.0000361200000000, -0.0014510400000000 ] - [ 0.0000210700000000, 0.0000714100000000, -0.0010757800000000 ] - [ 0.0002520300000000, -0.0000286100000000, -0.0010041200000000 ] - [ -0.0044006300000000, 0.0043728600000000, 0.0052208000000000 ] - [ 0.0000592000000000, -0.0000924200000000, 0.0005796700000000 ] - [ -0.0035926900000000, -0.0045755100000000, 0.0023393400000000 ] - [ 0.0000841400000000, -0.0001253600000000, 0.0005765200000000 ] - [ 0.0007664600000000, 0.0001812100000000, -0.0009507800000000 ] - [ 0.0000753400000000, 0.0001430100000000, 0.0000584500000000 ] - [ 0.0052773100000000, 0.0019901000000000, -0.0081202000000000 ] - [ -0.0000196700000000, 0.0001262800000000, -0.0000124800000000 ] - [ 0.0009859700000000, 0.0018010500000000, 0.0017701400000000 ] - [ -0.0004357600000000, 0.0002446100000000, 0.0007905300000000 ] - [ 0.0004538300000000, -0.0009449900000000, -0.0001007600000000 ] - [ -0.0003683200000000, 0.0001488200000000, 0.0004524200000000 ] - [ 0.0101106100000000, 0.0098561000000000, -0.0741653200000000 ] - [ 0.0001138200000000, -0.0002142400000000, -0.0005602300000000 ] - [ 0.0001783100000000, -0.0002177300000000, -0.0026370100000000 ] - [ 0.0001987600000000, -0.0002219900000000, -0.0004851500000000 ] - [ 0.0037380500000000, 0.0045519300000000, 0.0017857200000000 ] - [ -0.0007914800000000, -0.0000189400000000, 0.0001305800000000 ] - [ 0.0046489500000000, -0.0061514500000000, 0.0018338600000000 ] - [ -0.0008289000000000, -0.0004466300000000, 0.0001291800000000 ] - [ -0.0016439800000000, -0.0004587500000000, 0.0005366600000000 ] - [ 0.0001055400000000, 0.0001786000000000, 0.0001829500000000 ] - [ -0.0100486200000000, 0.0029185400000000, 0.0103361000000000 ] - [ 0.0003693600000000, 0.0003081900000000, 0.0001536900000000 ] - [ 0.0002528000000000, 0.0011893400000000, 0.0054732100000000 ] - [ 0.0002792800000000, 0.0002942200000000, 0.0002264200000000 ] - [ 0.0003038600000000, -0.0002437200000000, 0.0029712700000000 ] - [ 0.0002693100000000, 0.0002116900000000, 0.0002178000000000 ] - [ 0.0001706800000000, -0.0005003500000000, -0.0040560100000000 ] - [ -0.0022578500000000, 0.0000369900000000, -0.0027717500000000 ] - [ -0.0005168500000000, 0.0000685000000000, -0.0011943600000000 ] - [ -0.0002921900000000, -0.0001209400000000, -0.0009337800000000 ] - [ -0.0029900400000000, 0.0040525500000000, 0.0001228300000000 ] - [ 0.0008676700000000, 0.0001940800000000, -0.0001774200000000 ] - [ -0.0054094000000000, -0.0058071500000000, 0.0009559700000000 ] - [ 0.0010126800000000, -0.0003111500000000, -0.0002573700000000 ] - [ 0.0018497800000000, -0.0008541900000000, 0.0013000800000000 ] - [ -0.0001770600000000, 0.0000235000000000, 0.0003230000000000 ] - [ 0.0072840700000000, 0.0032495400000000, 0.0084730500000000 ] - [ -0.0004611300000000, 0.0001243700000000, 0.0004542200000000 ] - [ -0.0002870300000000, 0.0001924900000000, 0.0014255000000000 ] - [ -0.0002080200000000, 0.0001137300000000, 0.0012747900000000 ] - [ -0.0001817800000000, -0.0000659800000000, 0.0011794800000000 ] - [ -0.0002963300000000, -0.0000193300000000, 0.0009074900000000 ]- atom: 113 displacement: [ 0.0004367987813524, 0.0000000000000000, -0.0099904557866300 ] forces: - [ -0.0003913400000000, 0.0007350700000000, 0.0043907800000000 ] - [ -0.0002500600000000, -0.0002326200000000, 0.0004270000000000 ] - [ 0.0003874700000000, -0.0063138700000000, 0.0023397100000000 ] - [ -0.0001635100000000, -0.0000240300000000, 0.0002788300000000 ] - [ 0.0071138100000000, -0.0038119500000000, -0.0184485800000000 ] - [ -0.0001751000000000, -0.0002278700000000, 0.0002005400000000 ] - [ 0.0002270900000000, 0.0008057900000000, -0.0000757800000000 ] - [ -0.0001081200000000, -0.0001305100000000, 0.0001798300000000 ] - [ -0.0015406400000000, 0.0190818300000000, -0.0052800000000000 ] - [ -0.0000583500000000, 0.0003244300000000, 0.0002887100000000 ] - [ 0.0014635300000000, -0.0034845700000000, -0.0017467700000000 ] - [ -0.0000575000000000, 0.0002432200000000, 0.0003026200000000 ] - [ 0.0005690100000000, -0.0002799600000000, -0.0013388200000000 ] - [ 0.0003760100000000, 0.0002928900000000, -0.0007192600000000 ] - [ 0.0006024200000000, -0.0005488200000000, -0.0034961700000000 ] - [ 0.0006194900000000, 0.0003698500000000, -0.0010343300000000 ] - [ 0.0010759900000000, 0.0010765800000000, -0.0010198700000000 ] - [ -0.0009248400000000, 0.0014625400000000, 0.0012876700000000 ] - [ 0.0005721100000000, -0.0003229900000000, -0.0001270200000000 ] - [ -0.0004434400000000, -0.0000043700000000, 0.0009491200000000 ] - [ 0.0006839800000000, 0.0004678000000000, -0.0016793600000000 ] - [ -0.0000153700000000, 0.0005159200000000, -0.0004565200000000 ] - [ 0.0032110100000000, -0.0001282600000000, -0.0059652900000000 ] - [ -0.0000850000000000, 0.0004998600000000, -0.0006115600000000 ] - [ -0.0045098400000000, -0.0023666500000000, 0.0073299200000000 ] - [ -0.0000812700000000, -0.0005165100000000, 0.0002501300000000 ] - [ -0.0056552800000000, -0.0003751400000000, 0.0089597500000000 ] - [ -0.0000560200000000, -0.0006055300000000, 0.0002140700000000 ] - [ -0.0011885200000000, -0.0014911400000000, -0.0005288300000000 ] - [ 0.0011106200000000, -0.0004889900000000, -0.0011023900000000 ] - [ 0.0002181000000000, -0.0004205100000000, -0.0002464800000000 ] - [ 0.0003892400000000, -0.0003233400000000, -0.0006105200000000 ] - [ -0.0003840300000000, 0.0006119100000000, 0.0032515300000000 ] - [ 0.0001713100000000, -0.0004304900000000, 0.0000917900000000 ] - [ 0.0000358100000000, -0.0004136700000000, 0.0007119100000000 ] - [ 0.0001414100000000, -0.0004969500000000, -0.0000553700000000 ] - [ -0.0007589100000000, -0.0010095700000000, 0.0009787100000000 ] - [ 0.0004898900000000, -0.0008479000000000, 0.0004609000000000 ] - [ -0.0015459400000000, 0.0005640500000000, 0.0007967400000000 ] - [ 0.0011183100000000, 0.0002558600000000, 0.0003766300000000 ] - [ 0.0004056100000000, 0.0009240600000000, 0.0001647100000000 ] - [ -0.0007151600000000, 0.0007438700000000, 0.0003541500000000 ] - [ 0.0018646700000000, 0.0006165600000000, 0.0005445000000000 ] - [ -0.0014715200000000, 0.0005873200000000, 0.0004708900000000 ] - [ 0.0019676200000000, 0.0010420000000000, -0.0070404900000000 ] - [ 0.0000663800000000, 0.0005613200000000, -0.0007348000000000 ] - [ 0.0009437800000000, 0.0006026900000000, -0.0031114600000000 ] - [ 0.0000962700000000, 0.0005678500000000, -0.0006962100000000 ] - [ -0.0013491200000000, -0.0000086800000000, 0.0003549000000000 ] - [ 0.0018354200000000, -0.0004890400000000, 0.0000443300000000 ] - [ -0.0006697700000000, 0.0008889700000000, 0.0002032700000000 ] - [ 0.0004542800000000, 0.0004109800000000, -0.0001654900000000 ] - [ 0.0000276100000000, 0.0002782600000000, 0.0015843300000000 ] - [ 0.0000862200000000, 0.0003884300000000, 0.0005761100000000 ] - [ -0.0008821600000000, -0.0004479100000000, 0.0035245100000000 ] - [ 0.0001350800000000, 0.0003480600000000, 0.0006957200000000 ] - [ 0.0010634200000000, 0.0000857500000000, -0.0019933000000000 ] - [ 0.0000854500000000, -0.0004599900000000, -0.0001150400000000 ] - [ 0.0022705400000000, -0.0015446600000000, -0.0074366900000000 ] - [ -0.0000145200000000, -0.0005028900000000, -0.0002519800000000 ] - [ 0.0009542900000000, 0.0000694300000000, -0.0005253700000000 ] - [ -0.0015606800000000, -0.0003503900000000, -0.0000372400000000 ] - [ 0.0006172900000000, -0.0009403700000000, -0.0004672000000000 ] - [ -0.0011023000000000, -0.0012930200000000, -0.0001667700000000 ] - [ -0.0005238400000000, 0.0003429900000000, 0.0037963100000000 ] - [ -0.0000762700000000, 0.0000550600000000, 0.0009222200000000 ] - [ -0.0003135400000000, 0.0001120700000000, 0.0015520100000000 ] - [ -0.0000519900000000, -0.0000211600000000, 0.0006883600000000 ] - [ -0.0013545100000000, -0.0061396200000000, 0.0046842500000000 ] - [ 0.0000452900000000, -0.0000512700000000, -0.0001424200000000 ] - [ -0.0001161000000000, 0.0021034600000000, 0.0023119400000000 ] - [ 0.0000569900000000, 0.0000132000000000, -0.0001437100000000 ] - [ -0.0001517600000000, 0.0006963300000000, -0.0008304600000000 ] - [ -0.0000687000000000, 0.0001695900000000, -0.0003724400000000 ] - [ -0.0017707300000000, 0.0057818100000000, -0.0178045900000000 ] - [ -0.0000969400000000, 0.0001441300000000, -0.0003976100000000 ] - [ -0.0005685500000000, -0.0005700900000000, -0.0067567600000000 ] - [ -0.0000540300000000, 0.0002863600000000, -0.0003199100000000 ] - [ 0.0015111100000000, 0.0012733300000000, -0.0034722800000000 ] - [ 0.0000153300000000, 0.0000929600000000, -0.0001874300000000 ] - [ -0.0001601200000000, 0.0007510800000000, 0.0011771300000000 ] - [ -0.0003654300000000, 0.0002133100000000, 0.0003466200000000 ] - [ 0.0001684600000000, 0.0002447400000000, 0.0020744700000000 ] - [ -0.0004603200000000, 0.0001122100000000, 0.0004177400000000 ] - [ 0.0002248300000000, -0.0006765300000000, -0.0113944500000000 ] - [ 0.0002859500000000, 0.0001620600000000, -0.0001758700000000 ] - [ -0.0002595100000000, 0.0024142100000000, -0.0002586500000000 ] - [ 0.0003065000000000, 0.0002166700000000, -0.0001541000000000 ] - [ -0.0009398100000000, 0.0063751300000000, 0.0071256600000000 ] - [ 0.0003609500000000, -0.0002302000000000, 0.0000558800000000 ] - [ 0.0002039400000000, -0.0017837700000000, 0.0008830000000000 ] - [ 0.0003479800000000, -0.0003538300000000, 0.0000821000000000 ] - [ -0.0002303800000000, 0.0003457900000000, -0.0014649000000000 ] - [ -0.0002721200000000, -0.0002543100000000, -0.0002522500000000 ] - [ 0.0020528300000000, -0.0004834800000000, -0.0061153300000000 ] - [ -0.0004448800000000, -0.0004145600000000, -0.0003791500000000 ] - [ 0.0004710400000000, -0.0001764100000000, 0.0014779300000000 ] - [ -0.0005968600000000, -0.0001962600000000, 0.0007865800000000 ] - [ -0.0000812300000000, -0.0003044700000000, 0.0004121900000000 ] - [ -0.0003088700000000, -0.0002034800000000, 0.0003388900000000 ] - [ 0.0044899400000000, -0.0046391000000000, -0.0046087700000000 ] - [ -0.0000015700000000, -0.0001404600000000, 0.0000845000000000 ] - [ 0.0036541600000000, 0.0043043700000000, -0.0017610400000000 ] - [ -0.0000266400000000, -0.0001080800000000, 0.0000873900000000 ] - [ -0.0007088600000000, 0.0000501300000000, 0.0016228900000000 ] - [ -0.0000193300000000, 0.0000892900000000, 0.0006104300000000 ] - [ -0.0052244900000000, -0.0017363800000000, 0.0087649500000000 ] - [ 0.0000746900000000, 0.0001060000000000, 0.0006817800000000 ] - [ -0.0010377400000000, -0.0015822500000000, -0.0024753200000000 ] - [ 0.0003764800000000, -0.0000109400000000, -0.0014678900000000 ] - [ -0.0005015200000000, 0.0011665100000000, -0.0005859200000000 ] - [ 0.0003111800000000, 0.0000838800000000, -0.0011258900000000 ] - [ -0.0097057500000000, -0.0100587900000000, 0.0735814900000000 ] - [ 0.0004332200000000, -0.0002544500000000, 0.0002563400000000 ] - [ 0.0003674700000000, -0.0002530400000000, 0.0023334500000000 ] - [ 0.0003478900000000, -0.0002470100000000, 0.0001813400000000 ] - [ -0.0042547800000000, -0.0049884200000000, -0.0015048300000000 ] - [ 0.0002456900000000, -0.0004498300000000, 0.0001686500000000 ] - [ -0.0051691000000000, 0.0056464600000000, -0.0015366600000000 ] - [ 0.0002826500000000, -0.0000225900000000, 0.0001704100000000 ] - [ 0.0011020300000000, 0.0009305600000000, -0.0002210700000000 ] - [ -0.0006516100000000, 0.0002899600000000, 0.0001241800000000 ] - [ 0.0096110100000000, -0.0024795500000000, -0.0101086500000000 ] - [ -0.0009168100000000, 0.0001600900000000, 0.0001552400000000 ] - [ 0.0002927900000000, -0.0007076200000000, -0.0057619400000000 ] - [ 0.0002670500000000, 0.0001752500000000, -0.0005295200000000 ] - [ 0.0002432800000000, 0.0007034200000000, -0.0032741200000000 ] - [ 0.0002770000000000, 0.0002565600000000, -0.0005207700000000 ] - [ -0.0008756400000000, 0.0003949500000000, 0.0038436900000000 ] - [ 0.0016512800000000, -0.0001421200000000, 0.0025558100000000 ] - [ -0.0001430300000000, -0.0001756000000000, 0.0009898800000000 ] - [ -0.0003508500000000, 0.0000134300000000, 0.0007309100000000 ] - [ 0.0036202200000000, -0.0041386000000000, 0.0000419600000000 ] - [ -0.0002150200000000, -0.0003001200000000, 0.0003721400000000 ] - [ 0.0060228200000000, 0.0056609400000000, -0.0007737500000000 ] - [ -0.0003581200000000, 0.0002037400000000, 0.0004520200000000 ] - [ -0.0012012400000000, 0.0009640000000000, -0.0010926400000000 ] - [ 0.0008300700000000, 0.0000831100000000, -0.0001208700000000 ] - [ -0.0066953000000000, -0.0031715000000000, -0.0083216100000000 ] - [ 0.0011167100000000, -0.0000184900000000, -0.0002513100000000 ] - [ -0.0003572700000000, -0.0000814900000000, -0.0016217900000000 ] - [ -0.0004522100000000, -0.0000039800000000, -0.0014735100000000 ] - [ -0.0004653900000000, 0.0001689600000000, -0.0013764200000000 ] - [ -0.0003622500000000, 0.0001217500000000, -0.0011054700000000 ]- atom: 129 displacement: [ 0.0099996587985401, 0.0000000000000000, -0.0000826069777877 ] forces: - [ -0.0014763500000000, -0.0132392200000000, 0.0095366000000000 ] - [ 0.0016144100000000, 0.0001190500000000, -0.0019042000000000 ] - [ -0.0014234300000000, 0.0139027700000000, 0.0005088700000000 ] - [ 0.0012982600000000, -0.0012518000000000, -0.0010870600000000 ] - [ 0.0013876700000000, -0.0012355000000000, -0.0024933500000000 ] - [ -0.0008692500000000, 0.0000709500000000, 0.0032282800000000 ] - [ 0.0004904600000000, -0.0003113200000000, -0.0006804300000000 ] - [ -0.0006007800000000, -0.0003875100000000, 0.0010408700000000 ] - [ 0.0004605500000000, -0.0016196200000000, 0.0012237100000000 ] - [ 0.0016996700000000, 0.0007605300000000, -0.0027628000000000 ] - [ 0.0002920700000000, 0.0008614300000000, 0.0007854800000000 ] - [ 0.0018400300000000, -0.0015098300000000, -0.0025453000000000 ] - [ -0.0004940400000000, -0.0003230300000000, 0.0002243400000000 ] - [ 0.0006601900000000, 0.0004601900000000, -0.0005723000000000 ] - [ -0.0005331000000000, 0.0004922800000000, 0.0000169100000000 ] - [ 0.0008091000000000, 0.0003327400000000, -0.0004982100000000 ] - [ -0.0057006100000000, 0.0013262500000000, 0.0058872700000000 ] - [ 0.0012068500000000, 0.0004118800000000, -0.0008236800000000 ] - [ -0.0024812600000000, 0.0004355700000000, 0.0027471600000000 ] - [ 0.0010561100000000, 0.0004616800000000, -0.0007162100000000 ] - [ 0.0003581400000000, 0.0004854300000000, -0.0005976000000000 ] - [ -0.0007989100000000, 0.0005198400000000, 0.0007368600000000 ] - [ 0.0007154000000000, 0.0005894300000000, -0.0010751500000000 ] - [ -0.0012013600000000, 0.0005699800000000, 0.0011809900000000 ] - [ 0.0010824500000000, -0.0017164800000000, -0.0004083700000000 ] - [ 0.0029906800000000, 0.0142297100000000, -0.0066158700000000 ] - [ 0.0007340000000000, 0.0001820000000000, -0.0007015000000000 ] - [ 0.0058187300000000, -0.0133957000000000, -0.0055738700000000 ] - [ -0.0033653700000000, -0.0020095300000000, -0.0031887300000000 ] - [ 0.0009468200000000, -0.0003601900000000, -0.0004358600000000 ] - [ -0.0005474300000000, -0.0008852100000000, 0.0008461000000000 ] - [ 0.0006723700000000, -0.0004127100000000, -0.0003449400000000 ] - [ -0.0006644000000000, -0.0003055500000000, -0.0001681700000000 ] - [ 0.0011611900000000, -0.0009437000000000, -0.0004960700000000 ] - [ -0.0004703700000000, -0.0003997700000000, -0.0002790200000000 ] - [ 0.0009225400000000, -0.0007160400000000, -0.0005067700000000 ] - [ 0.0021947500000000, 0.0007047000000000, -0.0017080200000000 ] - [ -0.0012871200000000, -0.0005913600000000, 0.0005654500000000 ] - [ 0.0024879200000000, -0.0002266200000000, -0.0003460900000000 ] - [ -0.0014144600000000, -0.0005743500000000, 0.0005537100000000 ] - [ 0.0021320200000000, 0.0007277900000000, 0.0003016300000000 ] - [ -0.0012715500000000, 0.0004958700000000, 0.0004272400000000 ] - [ 0.0076461900000000, 0.0007442300000000, 0.0002411100000000 ] - [ -0.0014668200000000, 0.0005481200000000, 0.0004342900000000 ] - [ -0.0024072100000000, 0.0014452100000000, -0.0003356200000000 ] - [ 0.0156564300000000, 0.0048687100000000, 0.0000361700000000 ] - [ -0.0010095100000000, 0.0000175300000000, -0.0000420100000000 ] - [ 0.0004874800000000, 0.0078815400000000, -0.0011660400000000 ] - [ 0.0043346700000000, -0.0014912300000000, -0.0010701400000000 ] - [ -0.0015017000000000, 0.0007744900000000, -0.0000062800000000 ] - [ 0.0018243300000000, -0.0003193000000000, -0.0010742100000000 ] - [ -0.0012719500000000, 0.0007246600000000, -0.0000072100000000 ] - [ -0.0006706400000000, 0.0002772300000000, 0.0002882600000000 ] - [ 0.0011494300000000, 0.0007282300000000, 0.0000420300000000 ] - [ -0.0007900200000000, -0.0000200900000000, 0.0004404900000000 ] - [ 0.0012555600000000, 0.0009966600000000, 0.0001028700000000 ] - [ -0.0013176200000000, 0.0004675500000000, 0.0005647400000000 ] - [ 0.0028148900000000, -0.0082014900000000, -0.0000689400000000 ] - [ -0.0021324200000000, -0.0009607700000000, 0.0003825400000000 ] - [ 0.0188491000000000, -0.0111243500000000, -0.0011147700000000 ] - [ 0.0084892500000000, 0.0009426000000000, -0.0000476600000000 ] - [ -0.0014633000000000, -0.0006794000000000, -0.0001053100000000 ] - [ 0.0021356400000000, 0.0001322300000000, -0.0004868900000000 ] - [ -0.0013449900000000, -0.0006838500000000, -0.0001154800000000 ] - [ 0.0005172100000000, 0.0000919700000000, -0.0006619200000000 ] - [ -0.0006797800000000, -0.0000596000000000, 0.0004977500000000 ] - [ 0.0004184300000000, 0.0001232600000000, -0.0001861300000000 ] - [ -0.0005642600000000, -0.0000919400000000, 0.0004842500000000 ] - [ -0.0000804200000000, 0.0007773100000000, -0.0011806900000000 ] - [ -0.0010143300000000, -0.0011860700000000, 0.0015977200000000 ] - [ -0.0005434500000000, -0.0004772400000000, -0.0010916100000000 ] - [ -0.0010484000000000, -0.0003504900000000, 0.0014230200000000 ] - [ -0.0006010500000000, 0.0006101600000000, 0.0007035400000000 ] - [ -0.0004712600000000, -0.0001090800000000, -0.0011857400000000 ] - [ -0.0024684700000000, -0.0002489100000000, 0.0026913000000000 ] - [ -0.0017079000000000, 0.0004529000000000, -0.0032758300000000 ] - [ 0.0017855600000000, 0.0054806100000000, -0.0013683800000000 ] - [ -0.0026485500000000, -0.0010757400000000, 0.0005444500000000 ] - [ -0.0002592400000000, -0.0049711700000000, 0.0026200800000000 ] - [ -0.0014089400000000, 0.0002179800000000, 0.0003077000000000 ] - [ 0.0002790600000000, 0.0007188400000000, 0.0006443900000000 ] - [ -0.0009895000000000, 0.0000826600000000, -0.0001360900000000 ] - [ 0.0002588900000000, 0.0000387700000000, 0.0004139200000000 ] - [ -0.0010432600000000, 0.0002803200000000, -0.0001920000000000 ] - [ -0.0012372700000000, 0.0012247300000000, -0.0019484600000000 ] - [ -0.0010350700000000, -0.0000283800000000, 0.0022557000000000 ] - [ -0.0000728600000000, -0.0000963800000000, -0.0005373300000000 ] - [ -0.0002256800000000, 0.0014563300000000, 0.0009504400000000 ] - [ -0.0004335600000000, 0.0004952500000000, 0.0009773000000000 ] - [ -0.0002285300000000, -0.0007901700000000, -0.0015801800000000 ] - [ 0.0000057700000000, -0.0002777800000000, 0.0003362500000000 ] - [ -0.0000443000000000, 0.0001144800000000, -0.0006518600000000 ] - [ 0.0010106800000000, 0.0060198400000000, -0.0019954700000000 ] - [ -0.0016313200000000, -0.0006029500000000, 0.0003196900000000 ] - [ 0.0081101000000000, -0.0004110400000000, 0.0013737800000000 ] - [ -0.0024962800000000, 0.0006298500000000, 0.0003394700000000 ] - [ 0.0009833300000000, 0.0001922800000000, -0.0012499300000000 ] - [ -0.0009663500000000, -0.0002472800000000, 0.0000727800000000 ] - [ 0.0008600200000000, 0.0000895900000000, -0.0010396700000000 ] - [ -0.0007567700000000, -0.0002439600000000, 0.0000673300000000 ] - [ -0.0010772700000000, 0.0004852300000000, 0.0002715000000000 ] - [ -0.0023882300000000, -0.0025521100000000, 0.0051376400000000 ] - [ -0.0011241300000000, -0.0006403700000000, 0.0001127200000000 ] - [ -0.0034715600000000, 0.0027749200000000, 0.0059268200000000 ] - [ -0.0006133000000000, 0.0000173400000000, 0.0010349800000000 ] - [ 0.0004910100000000, -0.0000492300000000, -0.0007932300000000 ] - [ -0.0013246400000000, -0.0002799800000000, 0.0021258500000000 ] - [ 0.0011502500000000, 0.0003068800000000, -0.0015381500000000 ] - [ 0.0082997000000000, -0.0021855200000000, -0.0031235600000000 ] - [ -0.0015150400000000, 0.0004071800000000, 0.0007905000000000 ] - [ 0.0041560500000000, -0.0037707700000000, -0.0033575400000000 ] - [ -0.0012706900000000, 0.0006302500000000, 0.0006251300000000 ] - [ 0.0151863400000000, 0.0008933300000000, 0.0010501700000000 ] - [ 0.0137246900000000, -0.0012798200000000, -0.0015102400000000 ] - [ 0.0020101500000000, -0.0007200000000000, -0.0002531300000000 ] - [ 0.0023962800000000, -0.0000378400000000, -0.0000211900000000 ] - [ -0.0011293200000000, -0.0039335600000000, -0.0056041900000000 ] - [ 0.0017890200000000, 0.0002485500000000, 0.0009329300000000 ] - [ -0.0011700100000000, 0.0022590400000000, -0.0031910900000000 ] - [ 0.0017806800000000, -0.0007842600000000, 0.0007874400000000 ] - [ -0.0011068200000000, -0.0003094200000000, 0.0016321000000000 ] - [ 0.0013353100000000, 0.0004023700000000, -0.0002852800000000 ] - [ -0.0009685200000000, 0.0007246600000000, 0.0070389900000000 ] - [ 0.0017697300000000, 0.0001336500000000, -0.0005544100000000 ] - [ 0.0005676500000000, -0.0000123500000000, -0.0001167200000000 ] - [ 0.0003692800000000, 0.0004323400000000, -0.0000376300000000 ] - [ 0.0004578100000000, 0.0005353100000000, -0.0000129000000000 ] - [ 0.0004171100000000, -0.0000339500000000, -0.0001215700000000 ] - [ -0.0872847300000000, 0.0053998100000000, -0.0047978600000000 ] - [ 0.0028154400000000, -0.0001472800000000, 0.0001012100000000 ] - [ -0.0063946000000000, 0.0000056600000000, -0.0008777000000000 ] - [ 0.0020010100000000, -0.0001461900000000, 0.0000919600000000 ] - [ 0.0023990700000000, -0.0004307400000000, -0.0004160700000000 ] - [ -0.0013479500000000, 0.0049888000000000, 0.0062719100000000 ] - [ 0.0023987800000000, 0.0005592100000000, -0.0002628000000000 ] - [ -0.0013458600000000, -0.0049892200000000, 0.0064634900000000 ] - [ 0.0019641600000000, -0.0001729200000000, 0.0006352300000000 ] - [ -0.0020306500000000, 0.0004799200000000, -0.0013147200000000 ] - [ 0.0024034300000000, 0.0001931700000000, 0.0008637300000000 ] - [ -0.0016874300000000, -0.0002824800000000, -0.0041446500000000 ] - [ -0.0021874600000000, 0.0000285300000000, -0.0000746300000000 ] - [ 0.0012050900000000, 0.0000814900000000, 0.0000375100000000 ] - [ -0.0020398800000000, 0.0000262800000000, -0.0000502200000000 ] - [ 0.0011184900000000, 0.0001216000000000, 0.0000143100000000 ]- atom: 129 displacement: [ -0.0099996587985401, 0.0000000000000000, 0.0000826069777877 ] forces: - [ 0.0017525200000000, 0.0128016300000000, -0.0101036700000000 ] - [ -0.0013753500000000, -0.0005933300000000, 0.0013872500000000 ] - [ 0.0016486400000000, -0.0143950600000000, -0.0010446200000000 ] - [ -0.0010611800000000, 0.0007646100000000, 0.0005756800000000 ] - [ -0.0016264900000000, 0.0007726900000000, 0.0030244300000000 ] - [ 0.0006181600000000, -0.0005453700000000, -0.0026876800000000 ] - [ -0.0007228000000000, -0.0001666100000000, 0.0011899900000000 ] - [ 0.0003615100000000, -0.0000921900000000, -0.0005245200000000 ] - [ -0.0006921600000000, 0.0021110400000000, -0.0007184900000000 ] - [ -0.0019334200000000, -0.0002689900000000, 0.0032638400000000 ] - [ -0.0005206800000000, -0.0003848600000000, -0.0002791300000000 ] - [ -0.0020724900000000, 0.0019830600000000, 0.0030466200000000 ] - [ 0.0007315600000000, 0.0007991900000000, -0.0007400100000000 ] - [ -0.0004258200000000, 0.0000189000000000, 0.0000608400000000 ] - [ 0.0007890000000000, 0.0000007800000000, -0.0005536200000000 ] - [ -0.0005749000000000, 0.0001452200000000, -0.0000118700000000 ] - [ 0.0059047200000000, -0.0003012200000000, -0.0056157500000000 ] - [ -0.0009851200000000, 0.0006322500000000, 0.0010525300000000 ] - [ 0.0026994400000000, 0.0006106300000000, -0.0025127900000000 ] - [ -0.0008346900000000, 0.0005794600000000, 0.0009459400000000 ] - [ -0.0005755600000000, 0.0005578300000000, 0.0003628200000000 ] - [ 0.0005758800000000, 0.0005196400000000, -0.0009672600000000 ] - [ -0.0009351500000000, 0.0004535500000000, 0.0008451700000000 ] - [ 0.0009725700000000, 0.0004751300000000, -0.0014133400000000 ] - [ -0.0012981400000000, 0.0006837900000000, 0.0001706600000000 ] - [ -0.0031550900000000, -0.0151876700000000, 0.0063679500000000 ] - [ -0.0009487700000000, -0.0012346400000000, 0.0004632000000000 ] - [ -0.0059859400000000, 0.0122799200000000, 0.0053341000000000 ] - [ 0.0036576100000000, 0.0009707100000000, 0.0033038900000000 ] - [ -0.0007276000000000, -0.0006811900000000, 0.0006711500000000 ] - [ 0.0007693800000000, -0.0001580800000000, -0.0006178200000000 ] - [ -0.0004534800000000, -0.0006302100000000, 0.0005797400000000 ] - [ 0.0009962600000000, -0.0007206300000000, -0.0005169300000000 ] - [ -0.0008185800000000, -0.0000829100000000, -0.0001843000000000 ] - [ 0.0008006300000000, -0.0006254700000000, -0.0004042400000000 ] - [ -0.0005854200000000, -0.0003076800000000, -0.0001762200000000 ] - [ -0.0025200500000000, -0.0017148900000000, 0.0023844800000000 ] - [ 0.0009524300000000, -0.0004346800000000, 0.0001208500000000 ] - [ -0.0028195800000000, -0.0008003100000000, 0.0010288300000000 ] - [ 0.0010799600000000, -0.0004492400000000, 0.0001324300000000 ] - [ -0.0024657700000000, 0.0003038000000000, 0.0003816100000000 ] - [ 0.0009377100000000, 0.0005281400000000, 0.0002552900000000 ] - [ -0.0079677900000000, 0.0002434400000000, 0.0004931500000000 ] - [ 0.0011329200000000, 0.0004761600000000, 0.0002474200000000 ] - [ 0.0027465500000000, -0.0004333600000000, -0.0003475500000000 ] - [ -0.0144796700000000, -0.0032316500000000, -0.0007937100000000 ] - [ 0.0013389100000000, 0.0010126600000000, -0.0006430200000000 ] - [ -0.0001619100000000, -0.0068411300000000, 0.0004714500000000 ] - [ -0.0045916300000000, 0.0023407800000000, 0.0005710200000000 ] - [ 0.0012312100000000, 0.0000772500000000, -0.0004718100000000 ] - [ -0.0020905300000000, 0.0011683800000000, 0.0005948700000000 ] - [ 0.0010008000000000, 0.0001285000000000, -0.0004712300000000 ] - [ 0.0009364400000000, 0.0005733700000000, 0.0001919500000000 ] - [ -0.0008730900000000, 0.0001277300000000, 0.0004394000000000 ] - [ 0.0010572600000000, 0.0008732300000000, 0.0000382900000000 ] - [ -0.0009794500000000, -0.0001450500000000, 0.0003806300000000 ] - [ 0.0015841100000000, -0.0013241900000000, -0.0000853100000000 ] - [ -0.0025417000000000, 0.0073140400000000, 0.0005430800000000 ] - [ 0.0024077300000000, 0.0001206400000000, 0.0000995400000000 ] - [ -0.0178283300000000, 0.0095115100000000, 0.0014788800000000 ] - [ -0.0087512700000000, -0.0017770400000000, -0.0003957900000000 ] - [ 0.0011934200000000, -0.0001734100000000, -0.0003762800000000 ] - [ -0.0024011100000000, -0.0009898700000000, 0.0000065700000000 ] - [ 0.0010753000000000, -0.0001662900000000, -0.0003656100000000 ] - [ -0.0005382800000000, -0.0002586100000000, 0.0012089400000000 ] - [ 0.0006727800000000, -0.0001103400000000, 0.0000358600000000 ] - [ -0.0004304300000000, -0.0002905800000000, 0.0007217700000000 ] - [ 0.0005569300000000, -0.0000781100000000, 0.0000494500000000 ] - [ 0.0000823100000000, -0.0009515400000000, 0.0006522600000000 ] - [ 0.0010230300000000, 0.0010104600000000, -0.0021213800000000 ] - [ 0.0005463600000000, 0.0003073700000000, 0.0005617700000000 ] - [ 0.0010583900000000, 0.0001818100000000, -0.0019496600000000 ] - [ 0.0006037200000000, -0.0004386900000000, -0.0012367200000000 ] - [ 0.0004843100000000, 0.0002784600000000, 0.0006491000000000 ] - [ 0.0024905600000000, 0.0004225000000000, -0.0032521000000000 ] - [ 0.0017106800000000, -0.0002799800000000, 0.0027166400000000 ] - [ -0.0020955100000000, -0.0051141200000000, 0.0018964600000000 ] - [ 0.0026317300000000, 0.0012361100000000, -0.0000115500000000 ] - [ 0.0002471100000000, 0.0051458300000000, -0.0020837300000000 ] - [ 0.0013998600000000, -0.0000457500000000, 0.0002231800000000 ] - [ -0.0009707900000000, -0.0002454700000000, -0.0005428200000000 ] - [ 0.0003040300000000, 0.0003866900000000, 0.0002357700000000 ] - [ -0.0009553900000000, 0.0004198200000000, -0.0003063600000000 ] - [ 0.0003577000000000, 0.0001907400000000, 0.0002909700000000 ] - [ 0.0019244100000000, -0.0007631500000000, 0.0018616800000000 ] - [ 0.0017150800000000, 0.0004914000000000, -0.0023399600000000 ] - [ 0.0007548100000000, 0.0005678300000000, 0.0004375800000000 ] - [ 0.0009130300000000, -0.0009827800000000, -0.0010476600000000 ] - [ 0.0011152600000000, -0.0009747600000000, -0.0010847400000000 ] - [ 0.0009208900000000, 0.0003152900000000, 0.0014706400000000 ] - [ 0.0006739000000000, -0.0001920300000000, -0.0004367000000000 ] - [ 0.0007352200000000, -0.0005841700000000, 0.0005508900000000 ] - [ -0.0016984600000000, -0.0064870800000000, 0.0021068600000000 ] - [ 0.0009441800000000, 0.0001294400000000, -0.0002176900000000 ] - [ -0.0091474600000000, -0.0004297100000000, -0.0015082100000000 ] - [ 0.0018030800000000, -0.0010918300000000, -0.0002366500000000 ] - [ -0.0010832200000000, -0.0004288900000000, 0.0006377000000000 ] - [ 0.0009093300000000, 0.0000148900000000, -0.0007415600000000 ] - [ -0.0009194900000000, -0.0003221300000000, 0.0003766500000000 ] - [ 0.0007003800000000, 0.0000120900000000, -0.0007355200000000 ] - [ 0.0011308800000000, -0.0007210400000000, 0.0003987400000000 ] - [ 0.0024326800000000, 0.0023062400000000, -0.0044685100000000 ] - [ 0.0011762800000000, 0.0004129800000000, 0.0005617600000000 ] - [ 0.0035184400000000, -0.0029952200000000, -0.0052490600000000 ] - [ 0.0006669200000000, 0.0002135300000000, -0.0003663200000000 ] - [ -0.0004294700000000, 0.0002825900000000, 0.0014565500000000 ] - [ 0.0013846500000000, 0.0005126300000000, -0.0014693300000000 ] - [ -0.0010769600000000, -0.0000720800000000, 0.0021959500000000 ] - [ -0.0083766300000000, 0.0024730800000000, 0.0024175500000000 ] - [ 0.0014552000000000, -0.0001751200000000, -0.0014537400000000 ] - [ -0.0042078200000000, 0.0040084000000000, 0.0026931500000000 ] - [ 0.0012115300000000, -0.0003946000000000, -0.0012892200000000 ] - [ -0.0148012300000000, -0.0013732100000000, -0.0013735200000000 ] - [ -0.0130254700000000, 0.0007938600000000, 0.0011890500000000 ] - [ -0.0014564100000000, 0.0002503000000000, -0.0000486300000000 ] - [ -0.0018513900000000, -0.0004310800000000, -0.0002794700000000 ] - [ 0.0006201000000000, 0.0034711900000000, 0.0059290700000000 ] - [ -0.0023350400000000, -0.0007133500000000, -0.0006253100000000 ] - [ 0.0006612000000000, -0.0027241300000000, 0.0035058600000000 ] - [ -0.0023258400000000, 0.0003107700000000, -0.0004802900000000 ] - [ 0.0005676300000000, 0.0007746300000000, -0.0013286100000000 ] - [ -0.0018806000000000, 0.0000674900000000, 0.0005859400000000 ] - [ 0.0004477300000000, -0.0002539400000000, -0.0067515900000000 ] - [ -0.0023127800000000, 0.0003335700000000, 0.0008523600000000 ] - [ -0.0000116700000000, 0.0004805100000000, -0.0001872300000000 ] - [ 0.0001682200000000, 0.0000364000000000, -0.0002681700000000 ] - [ 0.0000968600000000, -0.0000662800000000, -0.0002914000000000 ] - [ 0.0001222600000000, 0.0005024700000000, -0.0001838700000000 ] - [ 0.0855708300000000, -0.0052386400000000, 0.0051483300000000 ] - [ -0.0034664700000000, 0.0000415700000000, -0.0002993800000000 ] - [ 0.0057337700000000, -0.0001116800000000, 0.0006836400000000 ] - [ -0.0026511000000000, 0.0000393300000000, -0.0002901100000000 ] - [ -0.0017437300000000, 0.0003281700000000, 0.0006186200000000 ] - [ 0.0019484300000000, -0.0050938000000000, -0.0060486100000000 ] - [ -0.0017465700000000, -0.0006715400000000, 0.0004656300000000 ] - [ 0.0019473100000000, 0.0048809300000000, -0.0062450300000000 ] - [ -0.0013082100000000, 0.0002800700000000, -0.0004375700000000 ] - [ 0.0026717700000000, -0.0003736200000000, 0.0015076300000000 ] - [ -0.0017489900000000, -0.0000887200000000, -0.0006683200000000 ] - [ 0.0023207200000000, 0.0003887800000000, 0.0043239000000000 ] - [ 0.0015313200000000, 0.0000704600000000, -0.0001373600000000 ] - [ -0.0018554300000000, 0.0000260700000000, -0.0002375300000000 ] - [ 0.0013840100000000, 0.0000847600000000, -0.0001554500000000 ] - [ -0.0017688500000000, -0.0000161200000000, -0.0002142600000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0089239500000000, 0.0148519600000000, -0.0057996600000000 ] - [ 0.0004473500000000, -0.0000100700000000, -0.0004297900000000 ] - [ 0.0039654900000000, 0.0127319600000000, 0.0013266400000000 ] - [ -0.0003038100000000, -0.0003485700000000, -0.0000507900000000 ] - [ 0.0000723900000000, -0.0019579100000000, -0.0005238000000000 ] - [ -0.0000027600000000, -0.0030474100000000, -0.0003305100000000 ] - [ -0.0003467600000000, 0.0010288000000000, 0.0008783400000000 ] - [ 0.0000342300000000, 0.0018406600000000, 0.0005393000000000 ] - [ -0.0009909700000000, -0.0003488700000000, -0.0002534000000000 ] - [ 0.0018964900000000, -0.0015852000000000, -0.0019887400000000 ] - [ 0.0004916800000000, 0.0012977900000000, 0.0006186500000000 ] - [ -0.0023056200000000, 0.0025886400000000, 0.0027862000000000 ] - [ 0.0002689300000000, 0.0015241900000000, -0.0003045700000000 ] - [ 0.0001239200000000, 0.0005749900000000, -0.0001836100000000 ] - [ 0.0001392100000000, -0.0009964300000000, -0.0005054900000000 ] - [ 0.0000664100000000, -0.0001239300000000, -0.0003434700000000 ] - [ 0.0048165000000000, 0.0011728000000000, -0.0110828800000000 ] - [ 0.0001812600000000, 0.0004049800000000, -0.0000555300000000 ] - [ -0.0014058400000000, 0.0028591400000000, 0.0036808800000000 ] - [ -0.0000154800000000, 0.0006548300000000, 0.0003263100000000 ] - [ -0.0001734200000000, 0.0008283400000000, -0.0000093900000000 ] - [ -0.0001089300000000, 0.0015937700000000, 0.0001380700000000 ] - [ -0.0000484900000000, 0.0001962600000000, -0.0002326300000000 ] - [ -0.0000652400000000, -0.0008265500000000, -0.0007794800000000 ] - [ -0.0010366400000000, -0.0002933700000000, 0.0003207300000000 ] - [ 0.0055473500000000, 0.0093173500000000, -0.0051809800000000 ] - [ 0.0005922000000000, -0.0005543500000000, -0.0007184400000000 ] - [ -0.0074422300000000, 0.0122641500000000, 0.0054158900000000 ] - [ -0.0015121900000000, -0.0202880800000000, -0.0012928400000000 ] - [ 0.0000248000000000, -0.0009084400000000, 0.0001234400000000 ] - [ 0.0005751000000000, 0.0039575300000000, 0.0001144300000000 ] - [ 0.0001327800000000, -0.0001573200000000, 0.0001468700000000 ] - [ 0.0002283400000000, -0.0002028000000000, -0.0002685600000000 ] - [ -0.0002156200000000, 0.0006158900000000, -0.0002053400000000 ] - [ 0.0001473700000000, -0.0008121600000000, -0.0003952700000000 ] - [ 0.0003332200000000, -0.0014489400000000, -0.0004403900000000 ] - [ -0.0013489900000000, -0.0028445600000000, 0.0036016600000000 ] - [ -0.0001300300000000, -0.0005665500000000, 0.0004164900000000 ] - [ -0.0001000500000000, -0.0008874800000000, -0.0020931200000000 ] - [ -0.0001259200000000, -0.0004547700000000, 0.0002649000000000 ] - [ 0.0000836800000000, -0.0034210700000000, -0.0008871200000000 ] - [ -0.0001494500000000, 0.0002400200000000, 0.0002789600000000 ] - [ -0.0007476000000000, 0.0122492800000000, 0.0031818000000000 ] - [ -0.0000920700000000, 0.0007763600000000, 0.0003927400000000 ] - [ 0.0006098100000000, 0.0010768700000000, -0.0003897200000000 ] - [ 0.0053660600000000, 0.0085035300000000, -0.0000751100000000 ] - [ -0.0000561700000000, 0.0001068100000000, -0.0002024700000000 ] - [ 0.0012432000000000, -0.0068161400000000, 0.0002005900000000 ] - [ -0.0018692900000000, 0.0044421100000000, 0.0031396300000000 ] - [ -0.0001182200000000, 0.0006484300000000, -0.0001496000000000 ] - [ 0.0006458000000000, -0.0020755400000000, -0.0014948500000000 ] - [ -0.0000652700000000, 0.0001838800000000, -0.0003319000000000 ] - [ 0.0002394500000000, 0.0002863900000000, 0.0002973800000000 ] - [ -0.0002372900000000, -0.0001281900000000, 0.0002882000000000 ] - [ 0.0000720100000000, 0.0005696700000000, 0.0002037300000000 ] - [ 0.0004015800000000, 0.0008887000000000, 0.0003361900000000 ] - [ 0.0003906300000000, -0.0008366600000000, 0.0001000600000000 ] - [ -0.0010434300000000, -0.0063755900000000, 0.0002896400000000 ] - [ 0.0000106600000000, -0.0000498300000000, 0.0003717400000000 ] - [ -0.0095019400000000, 0.0130201700000000, 0.0012714300000000 ] - [ 0.0013627000000000, 0.0126835100000000, 0.0004726400000000 ] - [ -0.0000532400000000, -0.0001347700000000, -0.0003271200000000 ] - [ -0.0009950100000000, -0.0042790300000000, 0.0008277700000000 ] - [ -0.0001303200000000, -0.0006965700000000, -0.0001770800000000 ] - [ 0.0000626700000000, 0.0007579300000000, 0.0001414900000000 ] - [ -0.0000613100000000, 0.0002085800000000, 0.0003172000000000 ] - [ 0.0000098800000000, -0.0008726200000000, 0.0002955800000000 ] - [ 0.0000796800000000, -0.0003643100000000, 0.0002142500000000 ] - [ 0.0006923500000000, -0.0000865100000000, 0.0001830200000000 ] - [ -0.0007937100000000, -0.0002021400000000, 0.0007455500000000 ] - [ -0.0006164700000000, -0.0003313800000000, -0.0007698800000000 ] - [ 0.0009692200000000, 0.0001059200000000, -0.0015763800000000 ] - [ 0.0007477300000000, -0.0012833400000000, -0.0007583400000000 ] - [ -0.0005097800000000, -0.0011425100000000, -0.0008112500000000 ] - [ -0.0011802100000000, 0.0015907600000000, 0.0004537000000000 ] - [ 0.0009319700000000, 0.0015998900000000, 0.0009145800000000 ] - [ 0.0050380300000000, 0.0018551700000000, 0.0002607100000000 ] - [ -0.0004750300000000, 0.0004890700000000, 0.0003441000000000 ] - [ -0.0022253000000000, -0.0050682200000000, 0.0019322600000000 ] - [ 0.0004696200000000, -0.0001994500000000, 0.0002336700000000 ] - [ -0.0002211900000000, -0.0006964200000000, -0.0005529400000000 ] - [ -0.0004466600000000, 0.0000257100000000, -0.0000146500000000 ] - [ -0.0006116300000000, 0.0010701000000000, 0.0006750500000000 ] - [ -0.0001876500000000, 0.0004352000000000, 0.0001466500000000 ] - [ 0.0008016800000000, 0.0016139100000000, 0.0003329800000000 ] - [ -0.0002608700000000, 0.0021166700000000, 0.0004226100000000 ] - [ 0.0002464000000000, -0.0008493500000000, -0.0002052100000000 ] - [ 0.0008360900000000, -0.0018872200000000, -0.0005642700000000 ] - [ 0.0009055000000000, 0.0010615400000000, -0.0002444100000000 ] - [ -0.0005943200000000, 0.0016896600000000, -0.0006260500000000 ] - [ -0.0001541300000000, -0.0013541100000000, 0.0000050800000000 ] - [ 0.0011478800000000, -0.0020617600000000, 0.0004287000000000 ] - [ 0.0007311900000000, -0.0072453700000000, 0.0009517800000000 ] - [ -0.0004798100000000, -0.0005931200000000, -0.0000219700000000 ] - [ 0.0020414700000000, 0.0066808500000000, 0.0016037200000000 ] - [ -0.0001316900000000, 0.0001128600000000, 0.0001347600000000 ] - [ 0.0005747900000000, 0.0036718500000000, -0.0005199200000000 ] - [ 0.0000201000000000, 0.0000637200000000, -0.0003536300000000 ] - [ -0.0003214000000000, -0.0013834700000000, -0.0001200800000000 ] - [ -0.0000149600000000, -0.0002814100000000, -0.0003277800000000 ] - [ 0.0007671800000000, -0.0001214900000000, 0.0004362400000000 ] - [ -0.0026202400000000, -0.0011742300000000, 0.0042916300000000 ] - [ -0.0008057200000000, -0.0003336700000000, 0.0002784100000000 ] - [ 0.0040014900000000, -0.0025886900000000, -0.0052580200000000 ] - [ 0.0001431700000000, -0.0001803800000000, 0.0001722700000000 ] - [ -0.0004842900000000, -0.0008732800000000, -0.0000406200000000 ] - [ -0.0001035000000000, 0.0004457700000000, 0.0006028500000000 ] - [ 0.0005757400000000, 0.0011798600000000, 0.0010043800000000 ] - [ -0.0030370400000000, 0.0065496700000000, -0.0001658900000000 ] - [ -0.0001497900000000, 0.0001830800000000, -0.0001503000000000 ] - [ 0.0010800700000000, -0.0034528500000000, -0.0032214500000000 ] - [ 0.0001705300000000, 0.0000256600000000, -0.0005368900000000 ] - [ 0.0014372700000000, -0.0062306200000000, -0.0005466300000000 ] - [ -0.0008028200000000, -0.0064131100000000, -0.0001058000000000 ] - [ 0.0000497000000000, 0.0027930100000000, -0.0000386200000000 ] - [ 0.0003340900000000, 0.0027453800000000, -0.0002171000000000 ] - [ -0.0036601400000000, 0.0024602300000000, 0.0057568000000000 ] - [ 0.0002655300000000, -0.0002610500000000, 0.0004329000000000 ] - [ 0.0030462500000000, 0.0023838100000000, -0.0037864300000000 ] - [ -0.0009224600000000, -0.0000747800000000, -0.0001236400000000 ] - [ -0.0006120000000000, 0.0032021100000000, -0.0007764900000000 ] - [ -0.0002135100000000, 0.0009017400000000, 0.0001241500000000 ] - [ 0.0004120500000000, -0.0043843000000000, 0.0034034300000000 ] - [ -0.0004630300000000, -0.0004715400000000, 0.0002148300000000 ] - [ -0.0000336600000000, -0.0000903300000000, -0.0003028900000000 ] - [ 0.0005505700000000, -0.0000498500000000, -0.0001987800000000 ] - [ 0.0005285300000000, 0.0005788200000000, -0.0000234200000000 ] - [ 0.0000551800000000, 0.0005944700000000, -0.0000905600000000 ] - [ 0.0047621900000000, -0.0772140700000000, -0.0001302100000000 ] - [ -0.0004202000000000, -0.0005786400000000, -0.0000713000000000 ] - [ -0.0002675600000000, 0.0072329700000000, -0.0000521900000000 ] - [ -0.0004188500000000, 0.0004457400000000, -0.0001175600000000 ] - [ -0.0002864300000000, -0.0000008200000000, 0.0003754500000000 ] - [ 0.0053351500000000, 0.0054938400000000, 0.0068950800000000 ] - [ 0.0007046200000000, 0.0000017600000000, -0.0000546500000000 ] - [ -0.0047549600000000, 0.0054877000000000, -0.0073556800000000 ] - [ 0.0000983500000000, 0.0006362600000000, -0.0000121800000000 ] - [ 0.0007488300000000, 0.0022997000000000, -0.0005283800000000 ] - [ 0.0004681900000000, -0.0005613400000000, 0.0001843500000000 ] - [ 0.0000052800000000, -0.0028143500000000, 0.0021964000000000 ] - [ -0.0003097800000000, -0.0005133400000000, -0.0006269100000000 ] - [ -0.0003541300000000, -0.0000652300000000, -0.0001607000000000 ] - [ -0.0002939100000000, 0.0008850200000000, 0.0002661700000000 ] - [ -0.0003944600000000, 0.0001720700000000, -0.0000604100000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0089959700000000, -0.0152610100000000, 0.0052120300000000 ] - [ -0.0002116900000000, -0.0004725000000000, -0.0000801500000000 ] - [ -0.0038201700000000, -0.0132308700000000, -0.0018991700000000 ] - [ 0.0005411100000000, -0.0001275800000000, -0.0004623400000000 ] - [ -0.0003034500000000, 0.0014768100000000, 0.0010314900000000 ] - [ -0.0002389500000000, 0.0025699500000000, 0.0008405800000000 ] - [ 0.0001103600000000, -0.0015080500000000, -0.0003648400000000 ] - [ -0.0002697100000000, -0.0023210600000000, -0.0000257600000000 ] - [ 0.0007559000000000, 0.0008238400000000, 0.0007653500000000 ] - [ -0.0021329000000000, 0.0020594100000000, 0.0024999200000000 ] - [ -0.0007282300000000, -0.0008126200000000, -0.0001082200000000 ] - [ 0.0020714600000000, -0.0021094400000000, -0.0022821600000000 ] - [ -0.0000370300000000, -0.0010527900000000, -0.0002043600000000 ] - [ 0.0001115800000000, -0.0000970800000000, -0.0003281800000000 ] - [ 0.0001044200000000, 0.0014863600000000, -0.0000182600000000 ] - [ 0.0001683000000000, 0.0006039700000000, -0.0001684900000000 ] - [ -0.0045986100000000, -0.0001495500000000, 0.0112911900000000 ] - [ 0.0000382100000000, 0.0006368100000000, 0.0002884500000000 ] - [ 0.0016352700000000, -0.0018187900000000, -0.0034730700000000 ] - [ 0.0002354400000000, 0.0003885700000000, -0.0000944500000000 ] - [ -0.0000464500000000, 0.0002135800000000, -0.0002230600000000 ] - [ -0.0001122200000000, -0.0005552200000000, -0.0003671500000000 ] - [ -0.0001693800000000, 0.0008469900000000, -0.0000021500000000 ] - [ -0.0001562100000000, 0.0018735500000000, 0.0005433400000000 ] - [ 0.0008185700000000, -0.0007523300000000, -0.0005528700000000 ] - [ -0.0056889900000000, -0.0103970200000000, 0.0049385500000000 ] - [ -0.0008130100000000, -0.0004839700000000, 0.0004849900000000 ] - [ 0.0073033200000000, -0.0133205400000000, -0.0056690100000000 ] - [ 0.0017597200000000, 0.0192804600000000, 0.0014097300000000 ] - [ 0.0001945900000000, -0.0001337100000000, 0.0001098000000000 ] - [ -0.0003621900000000, -0.0050006400000000, 0.0001258500000000 ] - [ 0.0000870300000000, -0.0008853100000000, 0.0000858800000000 ] - [ 0.0001038700000000, -0.0008215900000000, -0.0004147700000000 ] - [ 0.0005519700000000, -0.0016422600000000, -0.0004766200000000 ] - [ 0.0001859300000000, -0.0002125700000000, -0.0002886100000000 ] - [ -0.0000004800000000, 0.0004254700000000, -0.0002440700000000 ] - [ 0.0010218800000000, 0.0018340200000000, -0.0029149100000000 ] - [ -0.0002030300000000, -0.0004569800000000, 0.0002679500000000 ] - [ -0.0002335000000000, -0.0001445900000000, 0.0027913000000000 ] - [ -0.0002074000000000, -0.0005706300000000, 0.0004200600000000 ] - [ -0.0004141200000000, 0.0044431500000000, 0.0015581100000000 ] - [ -0.0001840200000000, 0.0007850500000000, 0.0004046900000000 ] - [ 0.0004102400000000, -0.0113575200000000, -0.0023128000000000 ] - [ -0.0002413100000000, 0.0002474000000000, 0.0002908600000000 ] - [ -0.0002788100000000, -0.0000506200000000, -0.0002953400000000 ] - [ -0.0046342200000000, -0.0072556600000000, -0.0006487400000000 ] - [ 0.0003920300000000, 0.0009153200000000, -0.0004815700000000 ] - [ -0.0009325400000000, 0.0078378800000000, -0.0008796900000000 ] - [ 0.0015929500000000, -0.0035745100000000, -0.0036315500000000 ] - [ -0.0001511100000000, 0.0002034600000000, -0.0003304800000000 ] - [ -0.0009195500000000, 0.0029323100000000, 0.0010231700000000 ] - [ -0.0002038900000000, 0.0006676500000000, -0.0001478400000000 ] - [ 0.0000289400000000, 0.0005660400000000, 0.0001818000000000 ] - [ 0.0005087800000000, 0.0009849500000000, 0.0001909800000000 ] - [ 0.0001963000000000, 0.0002807300000000, 0.0002766800000000 ] - [ -0.0001327600000000, -0.0000414500000000, 0.0001452400000000 ] - [ -0.0001205200000000, -0.0000121500000000, 0.0003800800000000 ] - [ 0.0012707800000000, 0.0055339200000000, 0.0002008900000000 ] - [ 0.0002574600000000, -0.0008047500000000, 0.0001077300000000 ] - [ 0.0104491600000000, -0.0143599500000000, -0.0008616700000000 ] - [ -0.0016310100000000, -0.0134481100000000, -0.0007427300000000 ] - [ -0.0002161000000000, -0.0007166700000000, -0.0001524900000000 ] - [ 0.0007297600000000, 0.0034330400000000, -0.0013190900000000 ] - [ -0.0001390900000000, -0.0001557700000000, -0.0003030300000000 ] - [ -0.0000757900000000, -0.0009271600000000, 0.0003969000000000 ] - [ 0.0000532700000000, -0.0003780900000000, 0.0002156600000000 ] - [ -0.0000170500000000, 0.0007046900000000, 0.0002381700000000 ] - [ -0.0000890700000000, 0.0001956500000000, 0.0003188400000000 ] - [ -0.0006828900000000, -0.0000790500000000, -0.0007159100000000 ] - [ 0.0008029200000000, 0.0000354700000000, -0.0012780500000000 ] - [ 0.0006246900000000, 0.0001587400000000, 0.0002379400000000 ] - [ -0.0009607600000000, -0.0002768800000000, 0.0010465000000000 ] - [ -0.0007377900000000, 0.0014553400000000, 0.0002232800000000 ] - [ 0.0005159800000000, 0.0013132700000000, 0.0002759400000000 ] - [ 0.0011825400000000, -0.0014270100000000, -0.0009840300000000 ] - [ -0.0009216000000000, -0.0014359900000000, -0.0014479700000000 ] - [ -0.0051636200000000, -0.0015025100000000, 0.0002476900000000 ] - [ 0.0004686400000000, -0.0003186000000000, 0.0001881300000000 ] - [ 0.0022427300000000, 0.0052444600000000, -0.0013856500000000 ] - [ -0.0004815300000000, 0.0003656700000000, 0.0002992800000000 ] - [ -0.0004657500000000, 0.0011731600000000, 0.0006526400000000 ] - [ -0.0002396700000000, 0.0004450300000000, 0.0001147500000000 ] - [ -0.0000777300000000, -0.0006110900000000, -0.0005725600000000 ] - [ -0.0004986700000000, 0.0000332600000000, -0.0000462900000000 ] - [ -0.0001177000000000, -0.0011421800000000, -0.0004354600000000 ] - [ 0.0009495200000000, -0.0016445900000000, -0.0005245400000000 ] - [ 0.0004431200000000, 0.0013165500000000, 0.0001076900000000 ] - [ -0.0001517200000000, 0.0023568600000000, 0.0004671000000000 ] - [ -0.0002211800000000, -0.0015282700000000, 0.0001443900000000 ] - [ 0.0012834200000000, -0.0021560300000000, 0.0005260800000000 ] - [ 0.0008417500000000, 0.0008845300000000, -0.0001062200000000 ] - [ -0.0004647400000000, 0.0015934500000000, -0.0005315800000000 ] - [ -0.0013971700000000, 0.0067950500000000, -0.0008449600000000 ] - [ -0.0002078900000000, 0.0001265200000000, 0.0001227300000000 ] - [ -0.0030397500000000, -0.0074249400000000, -0.0016950800000000 ] - [ -0.0005539400000000, -0.0005850400000000, -0.0000343400000000 ] - [ -0.0006527300000000, -0.0039128700000000, -0.0001246700000000 ] - [ -0.0000769800000000, -0.0002968100000000, -0.0003130200000000 ] - [ 0.0002707700000000, 0.0011522000000000, -0.0005558900000000 ] - [ -0.0000423700000000, 0.0000490800000000, -0.0003394100000000 ] - [ -0.0007103300000000, -0.0001092200000000, 0.0002313600000000 ] - [ 0.0026700600000000, 0.0009539700000000, -0.0036302500000000 ] - [ 0.0008621800000000, 0.0000981400000000, 0.0003887400000000 ] - [ -0.0039565800000000, 0.0023536900000000, 0.0059264800000000 ] - [ -0.0000855600000000, 0.0004138500000000, 0.0004936600000000 ] - [ 0.0005415300000000, 0.0011065700000000, 0.0007035900000000 ] - [ 0.0001580000000000, -0.0002140300000000, 0.0000671900000000 ] - [ -0.0005162200000000, -0.0009507000000000, -0.0003373100000000 ] - [ 0.0028383600000000, -0.0060915700000000, -0.0007411600000000 ] - [ 0.0000927800000000, 0.0000506900000000, -0.0005172100000000 ] - [ -0.0011235900000000, 0.0036862000000000, 0.0025734000000000 ] - [ -0.0002282200000000, 0.0002070500000000, -0.0001295300000000 ] - [ -0.0008448400000000, 0.0057704900000000, 0.0002498000000000 ] - [ 0.0013181700000000, 0.0059554400000000, -0.0001922100000000 ] - [ 0.0004856800000000, -0.0032684100000000, -0.0002639100000000 ] - [ 0.0002227500000000, -0.0032160400000000, -0.0000875400000000 ] - [ 0.0030994400000000, -0.0029431300000000, -0.0054263800000000 ] - [ -0.0008115800000000, -0.0002105500000000, -0.0001295200000000 ] - [ -0.0036075800000000, -0.0028455400000000, 0.0041216600000000 ] - [ 0.0003775900000000, -0.0003912200000000, 0.0004278900000000 ] - [ 0.0000635200000000, -0.0027397600000000, 0.0010728400000000 ] - [ -0.0003313500000000, -0.0004342700000000, 0.0001786300000000 ] - [ -0.0009474800000000, 0.0048700500000000, -0.0030820100000000 ] - [ -0.0000832600000000, 0.0009418800000000, 0.0000883900000000 ] - [ 0.0005817500000000, 0.0005562400000000, -0.0000016600000000 ] - [ -0.0000065100000000, 0.0005159600000000, -0.0001053100000000 ] - [ 0.0000174400000000, -0.0001071900000000, -0.0002809000000000 ] - [ 0.0004907800000000, -0.0001231100000000, -0.0002126900000000 ] - [ -0.0058780800000000, 0.0772005100000000, 0.0002044000000000 ] - [ -0.0002317700000000, 0.0004729700000000, -0.0001277000000000 ] - [ -0.0003857300000000, -0.0073452300000000, -0.0001466600000000 ] - [ -0.0002330200000000, -0.0005526200000000, -0.0000814300000000 ] - [ 0.0009398900000000, -0.0001076900000000, -0.0001759300000000 ] - [ -0.0046471000000000, -0.0055987300000000, -0.0066423400000000 ] - [ -0.0000518200000000, -0.0001050300000000, 0.0002551400000000 ] - [ 0.0054517800000000, -0.0056049700000000, 0.0076138100000000 ] - [ 0.0005532100000000, -0.0005312900000000, 0.0002106500000000 ] - [ -0.0000943500000000, -0.0021981100000000, 0.0007231400000000 ] - [ 0.0001849500000000, 0.0006687400000000, 0.0000146500000000 ] - [ 0.0006419800000000, 0.0029350100000000, -0.0019926100000000 ] - [ -0.0003431200000000, 0.0006123400000000, 0.0004211800000000 ] - [ -0.0002978000000000, 0.0001708000000000, -0.0000386700000000 ] - [ -0.0003584700000000, -0.0007739800000000, -0.0004697000000000 ] - [ -0.0002573300000000, -0.0000649200000000, -0.0001390300000000 ]- atom: 129 displacement: [ -0.0004367987813524, 0.0000000000000000, 0.0099904557866300 ] forces: - [ 0.0096655100000000, -0.0068314100000000, -0.0108664500000000 ] - [ 0.0001245900000000, -0.0002276700000000, -0.0004856900000000 ] - [ 0.0015998700000000, 0.0072684800000000, -0.0030093900000000 ] - [ 0.0001499500000000, -0.0000386000000000, -0.0005319400000000 ] - [ -0.0011910400000000, -0.0000004000000000, 0.0015763400000000 ] - [ 0.0016461000000000, -0.0006323800000000, 0.0000970900000000 ] - [ -0.0003326500000000, -0.0007153500000000, 0.0005699600000000 ] - [ 0.0000383700000000, -0.0004881700000000, 0.0000761700000000 ] - [ 0.0006806200000000, -0.0009032600000000, 0.0000769300000000 ] - [ -0.0008694000000000, -0.0007441400000000, 0.0009782600000000 ] - [ 0.0003233300000000, 0.0004693300000000, 0.0000674900000000 ] - [ -0.0007841400000000, 0.0007076500000000, 0.0010004200000000 ] - [ -0.0006256100000000, 0.0006283100000000, 0.0011472100000000 ] - [ 0.0000926100000000, 0.0003668000000000, 0.0000000300000000 ] - [ -0.0038749100000000, -0.0012815900000000, 0.0054768600000000 ] - [ 0.0001804900000000, 0.0003235900000000, 0.0000919200000000 ] - [ -0.0016753800000000, -0.0070437400000000, 0.0086510500000000 ] - [ 0.0001011800000000, 0.0004791500000000, 0.0001479100000000 ] - [ -0.0002888600000000, 0.0030434100000000, 0.0004583700000000 ] - [ 0.0001217500000000, 0.0005582200000000, 0.0001057000000000 ] - [ -0.0003922800000000, 0.0005193100000000, 0.0004019000000000 ] - [ -0.0004833900000000, 0.0006757500000000, 0.0009369000000000 ] - [ -0.0006799500000000, 0.0005838900000000, 0.0008037000000000 ] - [ -0.0004246600000000, 0.0005828800000000, 0.0026821700000000 ] - [ 0.0002994700000000, -0.0005426300000000, -0.0007967000000000 ] - [ -0.0017877800000000, -0.0030783900000000, -0.0008629200000000 ] - [ 0.0004417600000000, -0.0004927200000000, -0.0009132200000000 ] - [ -0.0015601100000000, 0.0026826800000000, -0.0001311900000000 ] - [ -0.0065968400000000, -0.0015306500000000, 0.0279699600000000 ] - [ 0.0001999400000000, -0.0004753200000000, 0.0000532800000000 ] - [ -0.0005687800000000, -0.0002440700000000, 0.0015884700000000 ] - [ 0.0001443500000000, -0.0005407700000000, 0.0001271300000000 ] - [ 0.0003171200000000, -0.0006732400000000, -0.0009163400000000 ] - [ 0.0002757900000000, -0.0008810900000000, -0.0025765100000000 ] - [ 0.0002712900000000, -0.0005050200000000, -0.0007127900000000 ] - [ 0.0003017600000000, -0.0006289100000000, -0.0011569400000000 ] - [ 0.0007933300000000, 0.0039203200000000, -0.0029700600000000 ] - [ -0.0002033000000000, -0.0005161400000000, 0.0002051600000000 ] - [ -0.0002718100000000, -0.0028665900000000, -0.0018935200000000 ] - [ -0.0002050200000000, -0.0005986000000000, 0.0002171900000000 ] - [ 0.0003187100000000, -0.0012881700000000, 0.0006067500000000 ] - [ -0.0002318100000000, 0.0004470200000000, 0.0004595000000000 ] - [ 0.0004658400000000, 0.0030589500000000, 0.0048235300000000 ] - [ -0.0002152300000000, 0.0004734700000000, 0.0004945200000000 ] - [ -0.0001632200000000, 0.0005637600000000, 0.0001461800000000 ] - [ -0.0019422700000000, -0.0008435000000000, 0.0061276700000000 ] - [ -0.0000842600000000, 0.0004594300000000, 0.0001306600000000 ] - [ 0.0001591800000000, -0.0009625000000000, 0.0010472400000000 ] - [ 0.0004358600000000, 0.0024036500000000, -0.0082868500000000 ] - [ -0.0002482500000000, 0.0004852600000000, -0.0004055900000000 ] - [ 0.0004647000000000, -0.0006872300000000, -0.0011034200000000 ] - [ -0.0002182600000000, 0.0004586400000000, -0.0003751500000000 ] - [ 0.0002043900000000, 0.0004939400000000, -0.0001788600000000 ] - [ 0.0003317100000000, 0.0004163800000000, -0.0009985000000000 ] - [ 0.0003074100000000, 0.0005972100000000, -0.0003359300000000 ] - [ 0.0001915400000000, 0.0007572400000000, -0.0017950900000000 ] - [ -0.0000948500000000, -0.0002900800000000, 0.0007129300000000 ] - [ -0.0000314900000000, 0.0004457900000000, 0.0019585700000000 ] - [ -0.0001032900000000, -0.0003171200000000, 0.0008275300000000 ] - [ -0.0022868300000000, 0.0015885000000000, 0.0062637800000000 ] - [ -0.0000303600000000, 0.0006514400000000, 0.0107620100000000 ] - [ -0.0001245800000000, -0.0004450000000000, -0.0000488700000000 ] - [ -0.0000006500000000, 0.0010188500000000, 0.0001163400000000 ] - [ -0.0001070800000000, -0.0003198100000000, -0.0001036500000000 ] - [ 0.0012037300000000, -0.0008511900000000, -0.0043690900000000 ] - [ -0.0001008900000000, -0.0001296700000000, -0.0002510400000000 ] - [ 0.0002223500000000, -0.0003278500000000, -0.0012261900000000 ] - [ -0.0000309200000000, -0.0001048100000000, -0.0001140500000000 ] - [ -0.0007672800000000, 0.0001931900000000, -0.0010854600000000 ] - [ 0.0004066400000000, 0.0003117500000000, -0.0011376200000000 ] - [ -0.0009421800000000, -0.0007726700000000, -0.0009763900000000 ] - [ 0.0005271000000000, -0.0002826000000000, -0.0009736000000000 ] - [ 0.0007622100000000, -0.0005207100000000, 0.0003387700000000 ] - [ -0.0005893300000000, -0.0002134100000000, 0.0002493400000000 ] - [ 0.0024440900000000, -0.0000900900000000, 0.0000327400000000 ] - [ -0.0012152500000000, 0.0004233400000000, 0.0006642800000000 ] - [ -0.0019801400000000, -0.0005860800000000, 0.0103374900000000 ] - [ 0.0001576700000000, 0.0001504800000000, 0.0007579200000000 ] - [ -0.0004984200000000, -0.0024794700000000, 0.0043727900000000 ] - [ 0.0000214200000000, 0.0000415000000000, 0.0007175100000000 ] - [ -0.0001647300000000, -0.0002334000000000, -0.0012925100000000 ] - [ -0.0004849200000000, 0.0001293200000000, -0.0001602400000000 ] - [ 0.0008078600000000, 0.0015693300000000, -0.0021109700000000 ] - [ -0.0005409800000000, 0.0002534200000000, -0.0002098500000000 ] - [ -0.0012286900000000, 0.0008511300000000, -0.0002712100000000 ] - [ 0.0016382400000000, 0.0007842800000000, -0.0002346400000000 ] - [ -0.0001126300000000, 0.0001290300000000, 0.0000112300000000 ] - [ 0.0007053000000000, -0.0000061900000000, -0.0000441400000000 ] - [ 0.0014382200000000, -0.0004978000000000, -0.0004225100000000 ] - [ -0.0011957900000000, -0.0003231200000000, -0.0005328200000000 ] - [ 0.0011538900000000, 0.0003143800000000, -0.0003615400000000 ] - [ -0.0002924200000000, 0.0003005400000000, -0.0004365100000000 ] - [ -0.0021282200000000, 0.0024287400000000, 0.0023014300000000 ] - [ -0.0002424100000000, -0.0002192900000000, 0.0002055600000000 ] - [ 0.0012517000000000, 0.0003760700000000, 0.0068350300000000 ] - [ -0.0001328700000000, -0.0003805700000000, 0.0002454000000000 ] - [ 0.0048949800000000, 0.0005173200000000, -0.0099534800000000 ] - [ -0.0001729000000000, -0.0001020700000000, -0.0004835200000000 ] - [ 0.0005694200000000, 0.0000070900000000, -0.0018150700000000 ] - [ -0.0000895800000000, -0.0001015000000000, -0.0004638000000000 ] - [ -0.0005042600000000, 0.0002269600000000, 0.0009816300000000 ] - [ 0.0004667300000000, -0.0000370700000000, 0.0010496300000000 ] - [ -0.0006953100000000, -0.0001791300000000, 0.0007191000000000 ] - [ 0.0006322700000000, -0.0006839700000000, 0.0004707500000000 ] - [ 0.0003724300000000, 0.0003136600000000, -0.0001293700000000 ] - [ -0.0000021700000000, -0.0001288400000000, -0.0005402900000000 ] - [ 0.0008111000000000, 0.0003923700000000, -0.0007883900000000 ] - [ -0.0008717200000000, 0.0001557900000000, -0.0013526200000000 ] - [ -0.0000493300000000, -0.0019351100000000, 0.0088275600000000 ] - [ 0.0000230500000000, 0.0001511400000000, -0.0002098600000000 ] - [ 0.0000145000000000, -0.0017974300000000, -0.0004243400000000 ] - [ -0.0000278500000000, 0.0000948400000000, -0.0002176700000000 ] - [ 0.0019021300000000, -0.0005109200000000, -0.0040556600000000 ] - [ -0.0017371600000000, -0.0000983100000000, -0.0028121800000000 ] - [ 0.0009425600000000, -0.0001612200000000, -0.0012077600000000 ] - [ -0.0000266300000000, -0.0001914700000000, -0.0009991200000000 ] - [ -0.0061978000000000, 0.0049842800000000, 0.0010067700000000 ] - [ 0.0003791400000000, -0.0000529300000000, -0.0002079700000000 ] - [ -0.0050565300000000, -0.0050609100000000, 0.0001218000000000 ] - [ 0.0003201100000000, -0.0004857100000000, -0.0001236900000000 ] - [ 0.0009417600000000, -0.0008258500000000, 0.0013394900000000 ] - [ -0.0005532000000000, 0.0001611200000000, 0.0003858300000000 ] - [ 0.0057197900000000, 0.0024122400000000, 0.0084894800000000 ] - [ -0.0007597200000000, 0.0003037800000000, 0.0005208200000000 ] - [ -0.0000782800000000, 0.0005851800000000, 0.0013566900000000 ] - [ 0.0005583900000000, 0.0005713900000000, 0.0012311600000000 ] - [ -0.0001420200000000, 0.0000319700000000, 0.0011034600000000 ] - [ 0.0005088100000000, 0.0000365100000000, 0.0008650600000000 ] - [ -0.0018899900000000, -0.0006369600000000, -0.0732612800000000 ] - [ -0.0002693100000000, -0.0000208300000000, -0.0005685600000000 ] - [ -0.0008573800000000, -0.0000063900000000, -0.0028186500000000 ] - [ -0.0002417500000000, -0.0000669500000000, -0.0004761300000000 ] - [ -0.0001353600000000, 0.0001184500000000, -0.0004357200000000 ] - [ 0.0067672900000000, 0.0072234800000000, -0.0000764800000000 ] - [ -0.0002886200000000, -0.0003562600000000, -0.0004425500000000 ] - [ 0.0065710900000000, -0.0066142500000000, -0.0000892200000000 ] - [ 0.0007929300000000, -0.0000479000000000, 0.0005339700000000 ] - [ -0.0009691300000000, -0.0005889200000000, 0.0009765100000000 ] - [ 0.0010041800000000, 0.0001312100000000, 0.0007374700000000 ] - [ -0.0037564600000000, 0.0021474400000000, 0.0048649200000000 ] - [ -0.0001624800000000, 0.0005855100000000, 0.0057209300000000 ] - [ -0.0002531900000000, 0.0001131400000000, 0.0003250400000000 ] - [ -0.0001742500000000, -0.0003172700000000, 0.0026419500000000 ] - [ -0.0002728900000000, 0.0000106200000000, 0.0002950000000000 ]- atom: 129 displacement: [ 0.0004367987813524, 0.0000000000000000, -0.0099904557866300 ] forces: - [ -0.0094123400000000, 0.0063256700000000, 0.0104013200000000 ] - [ 0.0001074200000000, -0.0002524800000000, -0.0000187000000000 ] - [ -0.0013741600000000, -0.0076817400000000, 0.0025002500000000 ] - [ 0.0000829900000000, -0.0004362800000000, 0.0000232900000000 ] - [ 0.0009498200000000, -0.0004794500000000, -0.0010610000000000 ] - [ -0.0018601600000000, 0.0001497000000000, 0.0003973600000000 ] - [ 0.0000967400000000, 0.0002339100000000, -0.0000581500000000 ] - [ -0.0002692100000000, 0.0000092200000000, 0.0004282900000000 ] - [ -0.0009189600000000, 0.0013843900000000, 0.0004400900000000 ] - [ 0.0006250400000000, 0.0012332000000000, -0.0004511700000000 ] - [ -0.0005612100000000, 0.0000099700000000, 0.0004552500000000 ] - [ 0.0005347300000000, -0.0002221700000000, -0.0004702400000000 ] - [ 0.0008603800000000, -0.0001421700000000, -0.0016571600000000 ] - [ 0.0001422300000000, 0.0001131300000000, -0.0005118000000000 ] - [ 0.0040904300000000, 0.0017354900000000, -0.0059685100000000 ] - [ 0.0000553100000000, 0.0001550700000000, -0.0006044300000000 ] - [ 0.0018370800000000, 0.0081937800000000, -0.0084109600000000 ] - [ 0.0001154600000000, 0.0005635500000000, 0.0000893500000000 ] - [ 0.0004983900000000, -0.0020259900000000, -0.0001948400000000 ] - [ 0.0000952000000000, 0.0004842300000000, 0.0001314000000000 ] - [ 0.0001711100000000, 0.0005236300000000, -0.0006332700000000 ] - [ 0.0002668200000000, 0.0003706600000000, -0.0011735200000000 ] - [ 0.0004563300000000, 0.0004575900000000, -0.0010331600000000 ] - [ 0.0002089400000000, 0.0004545500000000, -0.0029127600000000 ] - [ -0.0005196200000000, -0.0005016700000000, 0.0005664400000000 ] - [ 0.0015549700000000, 0.0019640000000000, 0.0006960200000000 ] - [ -0.0006596500000000, -0.0005486500000000, 0.0006793600000000 ] - [ 0.0013042600000000, -0.0036419700000000, -0.0000413200000000 ] - [ 0.0067761300000000, 0.0004442700000000, -0.0272406500000000 ] - [ 0.0000195300000000, -0.0005675200000000, 0.0001778700000000 ] - [ 0.0007895400000000, -0.0007954400000000, -0.0013561700000000 ] - [ 0.0000750500000000, -0.0005018900000000, 0.0001046900000000 ] - [ 0.0000204900000000, -0.0003513000000000, 0.0002302300000000 ] - [ 0.0000479600000000, -0.0001420900000000, 0.0018923500000000 ] - [ 0.0000644000000000, -0.0005194200000000, 0.0000274100000000 ] - [ 0.0000280800000000, -0.0003960500000000, 0.0004716100000000 ] - [ -0.0011125500000000, -0.0049699800000000, 0.0036433800000000 ] - [ -0.0001277600000000, -0.0005079500000000, 0.0004769000000000 ] - [ -0.0000575900000000, 0.0018729300000000, 0.0025790400000000 ] - [ -0.0001262500000000, -0.0004251000000000, 0.0004646700000000 ] - [ -0.0006536600000000, 0.0023018700000000, 0.0000836000000000 ] - [ -0.0000999500000000, 0.0005772600000000, 0.0002258800000000 ] - [ -0.0008592300000000, -0.0022089600000000, -0.0035864100000000 ] - [ -0.0001161900000000, 0.0005511000000000, 0.0001915100000000 ] - [ 0.0004941800000000, 0.0004638400000000, -0.0008301100000000 ] - [ 0.0022819200000000, 0.0018874200000000, -0.0067763900000000 ] - [ 0.0004171000000000, 0.0005644900000000, -0.0008135000000000 ] - [ 0.0001771900000000, 0.0019375500000000, -0.0017232100000000 ] - [ -0.0006983700000000, -0.0016012500000000, 0.0078662900000000 ] - [ -0.0000185000000000, 0.0003651800000000, -0.0000774000000000 ] - [ -0.0007357200000000, 0.0015469600000000, 0.0006135800000000 ] - [ -0.0000488200000000, 0.0003919900000000, -0.0001075300000000 ] - [ 0.0000670100000000, 0.0003570300000000, 0.0006567500000000 ] - [ -0.0000694800000000, 0.0004286600000000, 0.0014770700000000 ] - [ -0.0000352100000000, 0.0002559700000000, 0.0008132900000000 ] - [ 0.0000731000000000, 0.0000996900000000, 0.0022740000000000 ] - [ 0.0003648500000000, -0.0005617000000000, -0.0002318200000000 ] - [ 0.0002925100000000, -0.0012573700000000, -0.0014723500000000 ] - [ 0.0003712600000000, -0.0005361300000000, -0.0003450800000000 ] - [ 0.0025515500000000, -0.0024357300000000, -0.0057403200000000 ] - [ -0.0002585700000000, -0.0011786700000000, -0.0103617600000000 ] - [ -0.0001424400000000, -0.0004065600000000, -0.0004282800000000 ] - [ -0.0002726500000000, -0.0018655600000000, -0.0005877900000000 ] - [ -0.0001599600000000, -0.0005313400000000, -0.0003742200000000 ] - [ -0.0011991200000000, 0.0006811200000000, 0.0048950800000000 ] - [ 0.0000901000000000, -0.0000385800000000, 0.0007817700000000 ] - [ -0.0002294700000000, 0.0001569600000000, 0.0017550800000000 ] - [ 0.0000214400000000, -0.0000637300000000, 0.0006450700000000 ] - [ 0.0007784900000000, -0.0003628700000000, 0.0005470900000000 ] - [ -0.0003952700000000, -0.0004806700000000, 0.0005950700000000 ] - [ 0.0009568400000000, 0.0006095700000000, 0.0004354400000000 ] - [ -0.0005155300000000, 0.0001189900000000, 0.0004268600000000 ] - [ -0.0007491500000000, 0.0006860700000000, -0.0008664100000000 ] - [ 0.0005949800000000, 0.0003816500000000, -0.0007728500000000 ] - [ -0.0024214400000000, 0.0002601000000000, -0.0005572300000000 ] - [ 0.0012201700000000, -0.0002502800000000, -0.0011754000000000 ] - [ 0.0019988300000000, 0.0007420900000000, -0.0097904700000000 ] - [ -0.0001556700000000, 0.0000238900000000, -0.0002242000000000 ] - [ 0.0004855700000000, 0.0026282500000000, -0.0038141500000000 ] - [ -0.0000249900000000, 0.0001274500000000, -0.0001827800000000 ] - [ -0.0005185500000000, 0.0006954700000000, 0.0013912600000000 ] - [ -0.0002020900000000, 0.0003395400000000, 0.0002612300000000 ] - [ -0.0014889300000000, -0.0010849900000000, 0.0022080100000000 ] - [ -0.0001462500000000, 0.0002169500000000, 0.0003107500000000 ] - [ 0.0019199500000000, -0.0003827500000000, 0.0001646900000000 ] - [ -0.0009579900000000, -0.0003196200000000, 0.0001219800000000 ] - [ 0.0007990100000000, 0.0003409600000000, -0.0001159200000000 ] - [ -0.0000162900000000, 0.0004711800000000, -0.0000634400000000 ] - [ -0.0007438700000000, 0.0000275000000000, 0.0003239300000000 ] - [ 0.0018709800000000, -0.0001468700000000, 0.0004373400000000 ] - [ -0.0004624300000000, -0.0007810200000000, 0.0002619100000000 ] - [ 0.0009760600000000, -0.0007687500000000, 0.0003386000000000 ] - [ 0.0014421300000000, -0.0028955400000000, -0.0022057600000000 ] - [ -0.0004397100000000, -0.0002498400000000, -0.0001071200000000 ] - [ -0.0020805400000000, -0.0009865000000000, -0.0067785400000000 ] - [ -0.0005457500000000, -0.0000929500000000, -0.0001472500000000 ] - [ -0.0049393300000000, -0.0007396100000000, 0.0092387600000000 ] - [ 0.0001154000000000, -0.0001311800000000, -0.0001818200000000 ] - [ -0.0006280100000000, -0.0002406600000000, 0.0011495600000000 ] - [ 0.0000328600000000, -0.0001315500000000, -0.0002025300000000 ] - [ 0.0005625700000000, -0.0004616300000000, -0.0003186800000000 ] - [ -0.0003972100000000, -0.0001896800000000, -0.0004185100000000 ] - [ 0.0007496800000000, -0.0000565900000000, -0.0000572000000000 ] - [ -0.0005537000000000, 0.0004372300000000, 0.0001489200000000 ] - [ -0.0003132200000000, -0.0000801800000000, 0.0007957700000000 ] - [ 0.0000547900000000, 0.0003593600000000, 0.0012118500000000 ] - [ -0.0007494200000000, -0.0001576700000000, 0.0014521100000000 ] - [ 0.0009133400000000, 0.0000781600000000, 0.0020233400000000 ] - [ -0.0001840700000000, 0.0025141300000000, -0.0098845300000000 ] - [ -0.0000766300000000, 0.0000808400000000, -0.0004628700000000 ] - [ -0.0000587600000000, 0.0020209000000000, -0.0002663800000000 ] - [ -0.0000259000000000, 0.0001366900000000, -0.0004539600000000 ] - [ -0.0013123500000000, 0.0000383300000000, 0.0037491900000000 ] - [ 0.0022297100000000, -0.0003709000000000, 0.0025178800000000 ] - [ -0.0003918700000000, -0.0003044700000000, 0.0009017200000000 ] - [ 0.0005598500000000, -0.0002764900000000, 0.0006937300000000 ] - [ 0.0056114400000000, -0.0054106800000000, -0.0007064800000000 ] - [ -0.0009257400000000, -0.0004159500000000, 0.0005042200000000 ] - [ 0.0044860000000000, 0.0045610900000000, 0.0001689000000000 ] - [ -0.0008675600000000, 0.0000165200000000, 0.0004211500000000 ] - [ -0.0014904400000000, 0.0012963200000000, -0.0010262200000000 ] - [ 0.0000046700000000, 0.0003078100000000, -0.0000777200000000 ] - [ -0.0063292400000000, -0.0019705600000000, -0.0082208400000000 ] - [ 0.0002121200000000, 0.0001635500000000, -0.0002112100000000 ] - [ 0.0006142800000000, -0.0001111200000000, -0.0016571800000000 ] - [ -0.0000048300000000, -0.0000985500000000, -0.0015310700000000 ] - [ 0.0006809300000000, 0.0004334900000000, -0.0014040400000000 ] - [ 0.0000427600000000, 0.0004293200000000, -0.0011653300000000 ] - [ 0.0016953100000000, 0.0001605000000000, 0.0714293200000000 ] - [ -0.0003874500000000, -0.0000855100000000, 0.0003663500000000 ] - [ 0.0002174900000000, -0.0000956600000000, 0.0026104300000000 ] - [ -0.0004140800000000, -0.0000390500000000, 0.0002743000000000 ] - [ 0.0007819000000000, -0.0002242500000000, 0.0006296400000000 ] - [ -0.0060708400000000, -0.0072861400000000, 0.0002401100000000 ] - [ 0.0009347100000000, 0.0002482200000000, 0.0006362000000000 ] - [ -0.0058794300000000, 0.0064743300000000, 0.0002442500000000 ] - [ -0.0001430500000000, 0.0001549300000000, -0.0003315900000000 ] - [ 0.0016307900000000, 0.0006983300000000, -0.0007657500000000 ] - [ -0.0003555100000000, -0.0000259400000000, -0.0005337800000000 ] - [ 0.0044505000000000, -0.0020654700000000, -0.0046755900000000 ] - [ -0.0004839900000000, -0.0004629000000000, -0.0059241500000000 ] - [ -0.0004013500000000, -0.0000062500000000, -0.0005228000000000 ] - [ -0.0004743000000000, 0.0004152000000000, -0.0028390100000000 ] - [ -0.0003816400000000, 0.0000952200000000, -0.0004926800000000 ]