# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/012b6ad3-f235-42e0-a07f-f38139e9ba31/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 KSbSe2 / P2/c (13) / materials id 9576](https://mdr.nims.go.jp/datasets/3aaccb12-86a8-4d34-bc0c-4aef5768bbca) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2/c" number: 13 Hall_symbol: "-P 2yc"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.456114350000000, 0.000000000000000, 0.018699240000000 ] # a - [ 0.000000000000000, 6.358142039999999, 0.000000000000000 ] # b - [ -4.946903540000000, 0.000000000000000, 12.316717479999999 ] # c points: - symbol: K # 1 coordinates: [ 0.863231660000000, 0.263230410000000, 0.880862360000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.136768340000000, 0.736769590000000, 0.119137640000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.136768340000000, 0.263230410000000, 0.619137640000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.863231660000000, 0.736769590000000, 0.380862360000000 ] mass: 39.098300 - symbol: Se # 5 coordinates: [ 0.366962580000000, 0.803777750000000, 0.386477900000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.633037420000000, 0.196222250000000, 0.613522100000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.633037420000000, 0.803777750000000, 0.113522100000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.366962580000000, 0.196222250000000, 0.886477900000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.208486960000000, 0.767660050000000, 0.646360210000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.791513040000000, 0.232339950000000, 0.353639790000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.791513040000000, 0.767660050000000, 0.853639790000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.208486960000000, 0.232339950000000, 0.146360210000000 ] mass: 78.960000 - symbol: Sb # 13 coordinates: [ 0.587227480000000, 0.209807130000000, 0.120943230000000 ] mass: 121.760000 - symbol: Sb # 14 coordinates: [ 0.412772520000000, 0.790192870000000, 0.879056770000000 ] mass: 121.760000 - symbol: Sb # 15 coordinates: [ 0.412772520000000, 0.209807130000000, 0.379056770000000 ] mass: 121.760000 - symbol: Sb # 16 coordinates: [ 0.587227480000000, 0.790192870000000, 0.620943230000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ 0.154711951949035, 0.000000000000000, 0.062138723569796 ] # a* - [ 0.000000000000000, 0.157278650541126, 0.000000000000000 ] # b* - [ -0.000234883679443, 0.000000000000000, 0.081096124411118 ] # c*unit_cell: lattice: - [ 6.456114350000000, 0.000000000000000, 0.018699240000000 ] # a - [ 0.000000000000000, 6.358142040000000, 0.000000000000000 ] # b - [ -4.946903540000000, 0.000000000000000, 12.316717479999999 ] # c points: - symbol: K # 1 coordinates: [ 0.863231660000000, 0.263230410000000, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.136768340000000, 0.736769590000000, 0.119137640000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.136768340000000, 0.263230410000000, 0.619137640000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.863231660000000, 0.736769590000000, 0.380862360000000 ] mass: 39.098300 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.366962580000000, 0.803777750000000, 0.386477900000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.633037420000000, 0.196222250000000, 0.613522100000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.633037420000000, 0.803777750000000, 0.113522100000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 8 coordinates: [ 0.366962580000000, 0.196222250000000, 0.886477900000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.208486960000000, 0.767660050000000, 0.646360210000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.791513040000000, 0.232339950000000, 0.353639790000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.791513040000000, 0.767660050000000, 0.853639790000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.208486960000000, 0.232339950000000, 0.146360210000000 ] mass: 78.960000 reduced_to: 12 - symbol: Sb # 13 coordinates: [ 0.587227480000000, 0.209807130000000, 0.120943230000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 14 coordinates: [ 0.412772520000000, 0.790192870000000, 0.879056770000000 ] mass: 121.760000 reduced_to: 14 - symbol: Sb # 15 coordinates: [ 0.412772520000000, 0.209807130000000, 0.379056770000000 ] mass: 121.760000 reduced_to: 15 - symbol: Sb # 16 coordinates: [ 0.587227480000000, 0.790192870000000, 0.620943230000000 ] mass: 121.760000 reduced_to: 16supercell: lattice: - [ 19.368343050000000, 0.000000000000000, 0.056097720000000 ] # a - [ 0.000000000000000, 19.074426119999998, 0.000000000000000 ] # b - [ -4.946903540000000, 0.000000000000000, 12.316717479999999 ] # c points: - symbol: K # 1 coordinates: [ 0.287743886666667, 0.087743470000000, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.621077220000000, 0.087743470000000, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.954410553333333, 0.087743470000000, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.287743886666667, 0.421076803333333, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 5 coordinates: [ 0.621077220000000, 0.421076803333333, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 6 coordinates: [ 0.954410553333333, 0.421076803333333, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 7 coordinates: [ 0.287743886666667, 0.754410136666667, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 8 coordinates: [ 0.621077220000000, 0.754410136666667, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 9 coordinates: [ 0.954410553333333, 0.754410136666667, 0.880862360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 10 coordinates: [ 0.045589446666667, 0.245589863333333, 0.119137640000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.378922780000000, 0.245589863333333, 0.119137640000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 12 coordinates: [ 0.712256113333333, 0.245589863333333, 0.119137640000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 13 coordinates: [ 0.045589446666667, 0.578923196666667, 0.119137640000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 14 coordinates: [ 0.378922780000000, 0.578923196666667, 0.119137640000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 15 coordinates: [ 0.712256113333333, 0.578923196666667, 0.119137640000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 16 coordinates: [ 0.045589446666667, 0.912256530000000, 0.119137640000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 17 coordinates: [ 0.378922780000000, 0.912256530000000, 0.119137640000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 18 coordinates: [ 0.712256113333333, 0.912256530000000, 0.119137640000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 19 coordinates: [ 0.045589446666667, 0.087743470000000, 0.619137640000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.378922780000000, 0.087743470000000, 0.619137640000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 21 coordinates: [ 0.712256113333333, 0.087743470000000, 0.619137640000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 22 coordinates: [ 0.045589446666667, 0.421076803333333, 0.619137640000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 23 coordinates: [ 0.378922780000000, 0.421076803333333, 0.619137640000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 24 coordinates: [ 0.712256113333333, 0.421076803333333, 0.619137640000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 25 coordinates: [ 0.045589446666667, 0.754410136666667, 0.619137640000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 26 coordinates: [ 0.378922780000000, 0.754410136666667, 0.619137640000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 27 coordinates: [ 0.712256113333333, 0.754410136666667, 0.619137640000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 28 coordinates: [ 0.287743886666667, 0.245589863333333, 0.380862360000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 29 coordinates: [ 0.621077220000000, 0.245589863333333, 0.380862360000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 30 coordinates: [ 0.954410553333333, 0.245589863333333, 0.380862360000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 31 coordinates: [ 0.287743886666667, 0.578923196666667, 0.380862360000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 32 coordinates: [ 0.621077220000000, 0.578923196666667, 0.380862360000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 33 coordinates: [ 0.954410553333333, 0.578923196666667, 0.380862360000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 34 coordinates: [ 0.287743886666667, 0.912256530000000, 0.380862360000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 35 coordinates: [ 0.621077220000000, 0.912256530000000, 0.380862360000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 36 coordinates: [ 0.954410553333333, 0.912256530000000, 0.380862360000000 ] mass: 39.098300 reduced_to: 28 - symbol: Se # 37 coordinates: [ 0.122320860000000, 0.267925916666667, 0.386477900000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.455654193333333, 0.267925916666667, 0.386477900000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.788987526666667, 0.267925916666667, 0.386477900000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.122320860000000, 0.601259250000000, 0.386477900000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.455654193333333, 0.601259250000000, 0.386477900000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 42 coordinates: [ 0.788987526666667, 0.601259250000000, 0.386477900000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 43 coordinates: [ 0.122320860000000, 0.934592583333333, 0.386477900000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 44 coordinates: [ 0.455654193333333, 0.934592583333333, 0.386477900000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 45 coordinates: [ 0.788987526666667, 0.934592583333333, 0.386477900000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 46 coordinates: [ 0.211012473333333, 0.065407416666667, 0.613522100000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.544345806666667, 0.065407416666667, 0.613522100000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 48 coordinates: [ 0.877679140000000, 0.065407416666667, 0.613522100000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 49 coordinates: [ 0.211012473333333, 0.398740750000000, 0.613522100000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 50 coordinates: [ 0.544345806666667, 0.398740750000000, 0.613522100000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 51 coordinates: [ 0.877679140000000, 0.398740750000000, 0.613522100000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 52 coordinates: [ 0.211012473333333, 0.732074083333333, 0.613522100000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 53 coordinates: [ 0.544345806666667, 0.732074083333333, 0.613522100000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 54 coordinates: [ 0.877679140000000, 0.732074083333333, 0.613522100000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 55 coordinates: [ 0.211012473333333, 0.267925916666667, 0.113522100000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.544345806666667, 0.267925916666667, 0.113522100000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 57 coordinates: [ 0.877679140000000, 0.267925916666667, 0.113522100000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 58 coordinates: [ 0.211012473333333, 0.601259250000000, 0.113522100000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 59 coordinates: [ 0.544345806666667, 0.601259250000000, 0.113522100000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 60 coordinates: [ 0.877679140000000, 0.601259250000000, 0.113522100000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 61 coordinates: [ 0.211012473333333, 0.934592583333333, 0.113522100000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 62 coordinates: [ 0.544345806666667, 0.934592583333333, 0.113522100000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 63 coordinates: [ 0.877679140000000, 0.934592583333333, 0.113522100000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 64 coordinates: [ 0.122320860000000, 0.065407416666667, 0.886477900000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 65 coordinates: [ 0.455654193333333, 0.065407416666667, 0.886477900000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 66 coordinates: [ 0.788987526666667, 0.065407416666667, 0.886477900000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 67 coordinates: [ 0.122320860000000, 0.398740750000000, 0.886477900000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 68 coordinates: [ 0.455654193333333, 0.398740750000000, 0.886477900000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 69 coordinates: [ 0.788987526666667, 0.398740750000000, 0.886477900000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 70 coordinates: [ 0.122320860000000, 0.732074083333333, 0.886477900000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 71 coordinates: [ 0.455654193333333, 0.732074083333333, 0.886477900000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 72 coordinates: [ 0.788987526666667, 0.732074083333333, 0.886477900000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 73 coordinates: [ 0.069495653333333, 0.255886683333333, 0.646360210000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.402828986666667, 0.255886683333333, 0.646360210000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.736162320000000, 0.255886683333333, 0.646360210000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 76 coordinates: [ 0.069495653333333, 0.589220016666667, 0.646360210000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 77 coordinates: [ 0.402828986666667, 0.589220016666667, 0.646360210000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 78 coordinates: [ 0.736162320000000, 0.589220016666667, 0.646360210000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 79 coordinates: [ 0.069495653333333, 0.922553350000000, 0.646360210000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 80 coordinates: [ 0.402828986666667, 0.922553350000000, 0.646360210000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 81 coordinates: [ 0.736162320000000, 0.922553350000000, 0.646360210000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 82 coordinates: [ 0.263837680000000, 0.077446650000000, 0.353639790000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 83 coordinates: [ 0.597171013333333, 0.077446650000000, 0.353639790000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 84 coordinates: [ 0.930504346666667, 0.077446650000000, 0.353639790000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 85 coordinates: [ 0.263837680000000, 0.410779983333333, 0.353639790000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 86 coordinates: [ 0.597171013333333, 0.410779983333333, 0.353639790000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 87 coordinates: [ 0.930504346666667, 0.410779983333333, 0.353639790000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 88 coordinates: [ 0.263837680000000, 0.744113316666667, 0.353639790000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 89 coordinates: [ 0.597171013333333, 0.744113316666667, 0.353639790000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 90 coordinates: [ 0.930504346666667, 0.744113316666667, 0.353639790000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 91 coordinates: [ 0.263837680000000, 0.255886683333333, 0.853639790000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 92 coordinates: [ 0.597171013333333, 0.255886683333333, 0.853639790000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 93 coordinates: [ 0.930504346666667, 0.255886683333333, 0.853639790000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 94 coordinates: [ 0.263837680000000, 0.589220016666667, 0.853639790000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 95 coordinates: [ 0.597171013333333, 0.589220016666667, 0.853639790000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 96 coordinates: [ 0.930504346666667, 0.589220016666667, 0.853639790000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 97 coordinates: [ 0.263837680000000, 0.922553350000000, 0.853639790000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 98 coordinates: [ 0.597171013333333, 0.922553350000000, 0.853639790000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 99 coordinates: [ 0.930504346666667, 0.922553350000000, 0.853639790000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 100 coordinates: [ 0.069495653333333, 0.077446650000000, 0.146360210000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 101 coordinates: [ 0.402828986666667, 0.077446650000000, 0.146360210000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 102 coordinates: [ 0.736162320000000, 0.077446650000000, 0.146360210000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 103 coordinates: [ 0.069495653333333, 0.410779983333333, 0.146360210000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 104 coordinates: [ 0.402828986666667, 0.410779983333333, 0.146360210000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 105 coordinates: [ 0.736162320000000, 0.410779983333333, 0.146360210000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 106 coordinates: [ 0.069495653333333, 0.744113316666667, 0.146360210000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 107 coordinates: [ 0.402828986666667, 0.744113316666667, 0.146360210000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 108 coordinates: [ 0.736162320000000, 0.744113316666667, 0.146360210000000 ] mass: 78.960000 reduced_to: 100 - symbol: Sb # 109 coordinates: [ 0.195742493333333, 0.069935710000000, 0.120943230000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 110 coordinates: [ 0.529075826666667, 0.069935710000000, 0.120943230000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 111 coordinates: [ 0.862409160000000, 0.069935710000000, 0.120943230000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 112 coordinates: [ 0.195742493333333, 0.403269043333333, 0.120943230000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 113 coordinates: [ 0.529075826666667, 0.403269043333333, 0.120943230000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 114 coordinates: [ 0.862409160000000, 0.403269043333333, 0.120943230000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 115 coordinates: [ 0.195742493333333, 0.736602376666667, 0.120943230000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 116 coordinates: [ 0.529075826666667, 0.736602376666667, 0.120943230000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 117 coordinates: [ 0.862409160000000, 0.736602376666667, 0.120943230000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 118 coordinates: [ 0.137590840000000, 0.263397623333333, 0.879056770000000 ] mass: 121.760000 reduced_to: 118 - symbol: Sb # 119 coordinates: [ 0.470924173333333, 0.263397623333333, 0.879056770000000 ] mass: 121.760000 reduced_to: 118 - symbol: Sb # 120 coordinates: [ 0.804257506666667, 0.263397623333333, 0.879056770000000 ] mass: 121.760000 reduced_to: 118 - symbol: Sb # 121 coordinates: [ 0.137590840000000, 0.596730956666667, 0.879056770000000 ] mass: 121.760000 reduced_to: 118 - symbol: Sb # 122 coordinates: [ 0.470924173333333, 0.596730956666667, 0.879056770000000 ] mass: 121.760000 reduced_to: 118 - symbol: Sb # 123 coordinates: [ 0.804257506666667, 0.596730956666667, 0.879056770000000 ] mass: 121.760000 reduced_to: 118 - symbol: Sb # 124 coordinates: [ 0.137590840000000, 0.930064290000000, 0.879056770000000 ] mass: 121.760000 reduced_to: 118 - symbol: Sb # 125 coordinates: [ 0.470924173333333, 0.930064290000000, 0.879056770000000 ] mass: 121.760000 reduced_to: 118 - symbol: Sb # 126 coordinates: [ 0.804257506666667, 0.930064290000000, 0.879056770000000 ] mass: 121.760000 reduced_to: 118 - symbol: Sb # 127 coordinates: [ 0.137590840000000, 0.069935710000000, 0.379056770000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 128 coordinates: [ 0.470924173333333, 0.069935710000000, 0.379056770000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 129 coordinates: [ 0.804257506666667, 0.069935710000000, 0.379056770000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 130 coordinates: [ 0.137590840000000, 0.403269043333333, 0.379056770000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 131 coordinates: [ 0.470924173333333, 0.403269043333333, 0.379056770000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 132 coordinates: [ 0.804257506666667, 0.403269043333333, 0.379056770000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 133 coordinates: [ 0.137590840000000, 0.736602376666667, 0.379056770000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 134 coordinates: [ 0.470924173333333, 0.736602376666667, 0.379056770000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 135 coordinates: [ 0.804257506666667, 0.736602376666667, 0.379056770000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 136 coordinates: [ 0.195742493333333, 0.263397623333333, 0.620943230000000 ] mass: 121.760000 reduced_to: 136 - symbol: Sb # 137 coordinates: [ 0.529075826666667, 0.263397623333333, 0.620943230000000 ] mass: 121.760000 reduced_to: 136 - symbol: Sb # 138 coordinates: [ 0.862409160000000, 0.263397623333333, 0.620943230000000 ] mass: 121.760000 reduced_to: 136 - symbol: Sb # 139 coordinates: [ 0.195742493333333, 0.596730956666667, 0.620943230000000 ] mass: 121.760000 reduced_to: 136 - symbol: Sb # 140 coordinates: [ 0.529075826666667, 0.596730956666667, 0.620943230000000 ] mass: 121.760000 reduced_to: 136 - symbol: Sb # 141 coordinates: [ 0.862409160000000, 0.596730956666667, 0.620943230000000 ] mass: 121.760000 reduced_to: 136 - symbol: Sb # 142 coordinates: [ 0.195742493333333, 0.930064290000000, 0.620943230000000 ] mass: 121.760000 reduced_to: 136 - symbol: Sb # 143 coordinates: [ 0.529075826666667, 0.930064290000000, 0.620943230000000 ] mass: 121.760000 reduced_to: 136 - symbol: Sb # 144 coordinates: [ 0.862409160000000, 0.930064290000000, 0.620943230000000 ] mass: 121.760000 reduced_to: 136born_effective_charge:- # 1 (K) - [ 1.105483120000000, 0.030303570000000, 0.130604950000000 ] - [ 0.004793540000000, 0.942141000000000, -0.030273650000000 ] - [ 0.158887640000000, -0.008976770000000, 1.364484360000000 ]- # 2 (K) - [ 1.105483120000000, 0.030303570000000, 0.130604950000000 ] - [ 0.004793540000000, 0.942141000000000, -0.030273650000000 ] - [ 0.158887640000000, -0.008976770000000, 1.364484360000000 ]- # 3 (K) - [ 1.105483120000000, -0.030303570000000, 0.130604950000000 ] - [ -0.004793540000000, 0.942141000000000, 0.030273650000000 ] - [ 0.158887640000000, 0.008976770000000, 1.364484360000000 ]- # 4 (K) - [ 1.105483120000000, -0.030303570000000, 0.130604950000000 ] - [ -0.004793540000000, 0.942141000000000, 0.030273650000000 ] - [ 0.158887640000000, 0.008976770000000, 1.364484360000000 ]- # 5 (Se) - [ -1.038414310000000, -0.657996480000000, 0.425962240000000 ] - [ -0.104290320000000, -1.724444800000000, 0.057944860000000 ] - [ 0.019514400000000, 1.126081400000000, -3.088468450000000 ]- # 6 (Se) - [ -1.038414310000000, -0.657996480000000, 0.425962240000000 ] - [ -0.104290320000000, -1.724444800000000, 0.057944860000000 ] - [ 0.019514400000000, 1.126081400000000, -3.088468450000000 ]- # 7 (Se) - [ -1.038414310000000, 0.657996480000000, 0.425962240000000 ] - [ 0.104290320000000, -1.724444800000000, -0.057944860000000 ] - [ 0.019514400000000, -1.126081400000000, -3.088468450000000 ]- # 8 (Se) - [ -1.038414310000000, 0.657996480000000, 0.425962240000000 ] - [ 0.104290320000000, -1.724444800000000, -0.057944860000000 ] - [ 0.019514400000000, -1.126081400000000, -3.088468450000000 ]- # 9 (Se) - [ -2.124093480000000, -0.045950300000000, 0.383476890000000 ] - [ -0.337339650000000, -1.190699540000000, -0.220925680000000 ] - [ 0.911754470000000, -0.268305570000000, -3.113161330000000 ]- # 10 (Se) - [ -2.124093480000000, -0.045950300000000, 0.383476890000000 ] - [ -0.337339650000000, -1.190699540000000, -0.220925680000000 ] - [ 0.911754470000000, -0.268305570000000, -3.113161330000000 ]- # 11 (Se) - [ -2.124093480000000, 0.045950300000000, 0.383476890000000 ] - [ 0.337339650000000, -1.190699540000000, 0.220925680000000 ] - [ 0.911754470000000, 0.268305570000000, -3.113161330000000 ]- # 12 (Se) - [ -2.124093480000000, 0.045950300000000, 0.383476890000000 ] - [ 0.337339650000000, -1.190699540000000, 0.220925680000000 ] - [ 0.911754470000000, 0.268305570000000, -3.113161330000000 ]- # 13 (Sb) - [ 2.057024680000000, -0.804750650000000, -0.940044090000000 ] - [ -0.466605990000000, 1.973003350000000, 0.501980410000000 ] - [ -1.090156500000000, 1.581871490000000, 4.837145420000000 ]- # 14 (Sb) - [ 2.057024680000000, -0.804750650000000, -0.940044090000000 ] - [ -0.466605990000000, 1.973003350000000, 0.501980410000000 ] - [ -1.090156500000000, 1.581871490000000, 4.837145420000000 ]- # 15 (Sb) - [ 2.057024680000000, 0.804750650000000, -0.940044090000000 ] - [ 0.466605990000000, 1.973003350000000, -0.501980410000000 ] - [ -1.090156500000000, -1.581871490000000, 4.837145420000000 ]- # 16 (Sb) - [ 2.057024680000000, 0.804750650000000, -0.940044090000000 ] - [ 0.466605990000000, 1.973003350000000, -0.501980410000000 ] - [ -1.090156500000000, -1.581871490000000, 4.837145420000000 ]dielectric_constant: - [ 5.428877260000000, 0.000000000000000, -1.119979860000000 ] - [ 0.000000000000000, 4.855357030000000, 0.000000000000000 ] - [ -1.119984880000000, 0.000000000000000, 9.193560000000000 ]displacements:- atom: 1 displacement: [ 0.0099999580557189, 0.0000000000000000, 0.0000289634918988 ] forces: - [ -0.0225134000000000, -0.0003769500000000, -0.0010740500000000 ] - [ 0.0002688800000000, -0.0005330800000000, 0.0005845700000000 ] - [ 0.0002693100000000, -0.0006671900000000, 0.0005811300000000 ] - [ -0.0001641900000000, -0.0006695000000000, 0.0004276000000000 ] - [ 0.0000330800000000, -0.0005848500000000, 0.0005247500000000 ] - [ 0.0000258800000000, -0.0006376400000000, 0.0005207900000000 ] - [ -0.0001641500000000, -0.0005360600000000, 0.0004324700000000 ] - [ 0.0000260300000000, -0.0007524700000000, 0.0005232000000000 ] - [ 0.0000327500000000, -0.0005968000000000, 0.0005171700000000 ] - [ 0.0001409200000000, 0.0005325400000000, -0.0004734300000000 ] - [ -0.0004108500000000, 0.0009499800000000, -0.0003713100000000 ] - [ 0.0001447200000000, 0.0006544700000000, -0.0004355000000000 ] - [ 0.0000905800000000, 0.0006199800000000, -0.0004753900000000 ] - [ -0.0000521600000000, 0.0006366300000000, -0.0005348400000000 ] - [ 0.0000859700000000, 0.0006299300000000, -0.0004686500000000 ] - [ 0.0002292400000000, 0.0007538100000000, -0.0004733900000000 ] - [ -0.0004280000000000, 0.0003485000000000, -0.0005119300000000 ] - [ 0.0002152000000000, 0.0006107400000000, -0.0003862400000000 ] - [ 0.0005817700000000, -0.0006346600000000, 0.0002445100000000 ] - [ 0.0004118000000000, -0.0006358400000000, -0.0016419100000000 ] - [ 0.0002117700000000, -0.0006161700000000, -0.0003966800000000 ] - [ 0.0000965400000000, -0.0006624400000000, -0.0004474300000000 ] - [ -0.0000762100000000, -0.0005967100000000, -0.0005659900000000 ] - [ 0.0001001800000000, -0.0006250400000000, -0.0004647100000000 ] - [ 0.0000963700000000, -0.0005498100000000, -0.0004465000000000 ] - [ -0.0000760400000000, -0.0007008500000000, -0.0005525200000000 ] - [ 0.0001001900000000, -0.0006459000000000, -0.0004728400000000 ] - [ -0.0001978400000000, 0.0005678000000000, 0.0003806700000000 ] - [ 0.0000344600000000, 0.0007191500000000, 0.0005491800000000 ] - [ 0.0000343200000000, 0.0006171500000000, 0.0005452700000000 ] - [ -0.0001220600000000, 0.0006233000000000, 0.0004435500000000 ] - [ -0.0000019800000000, 0.0006374400000000, 0.0005164200000000 ] - [ -0.0000020600000000, 0.0006273200000000, 0.0005158500000000 ] - [ -0.0002744400000000, 0.0007068500000000, 0.0002932600000000 ] - [ 0.0000685300000000, 0.0005375700000000, 0.0005918200000000 ] - [ 0.0000685000000000, 0.0006390100000000, 0.0005722000000000 ] - [ -0.0002154400000000, 0.0002976000000000, 0.0000938600000000 ] - [ -0.0001794400000000, 0.0001244700000000, 0.0002313300000000 ] - [ -0.0002672200000000, 0.0001873800000000, 0.0001001500000000 ] - [ -0.0002101400000000, 0.0001832600000000, 0.0001644600000000 ] - [ -0.0001911000000000, 0.0002461200000000, 0.0001934400000000 ] - [ -0.0002462400000000, 0.0001965000000000, 0.0001291100000000 ] - [ -0.0002807400000000, 0.0002336900000000, 0.0000767100000000 ] - [ -0.0001022000000000, 0.0002775500000000, 0.0002653100000000 ] - [ -0.0003029300000000, 0.0001873500000000, 0.0000512300000000 ] - [ 0.0002733800000000, -0.0002098400000000, 0.0003757800000000 ] - [ 0.0001334800000000, 0.0000407700000000, -0.0005412800000000 ] - [ 0.0000870500000000, -0.0002484000000000, -0.0003298300000000 ] - [ 0.0002730600000000, -0.0001101400000000, -0.0002065400000000 ] - [ 0.0001886500000000, -0.0003140100000000, -0.0001176700000000 ] - [ 0.0001643400000000, -0.0002142500000000, -0.0002097800000000 ] - [ 0.0002412300000000, -0.0002434600000000, -0.0001645700000000 ] - [ 0.0002248300000000, -0.0001504700000000, -0.0001284200000000 ] - [ 0.0001741000000000, -0.0002211800000000, -0.0002076100000000 ] - [ 0.0002524500000000, 0.0004365000000000, -0.0001074900000000 ] - [ 0.0001888200000000, 0.0000119400000000, -0.0002704500000000 ] - [ 0.0001585600000000, 0.0002222000000000, -0.0002140000000000 ] - [ 0.0002330700000000, 0.0001423300000000, -0.0001381600000000 ] - [ 0.0002294000000000, 0.0002425900000000, -0.0001641100000000 ] - [ 0.0001793800000000, 0.0002201500000000, -0.0001906100000000 ] - [ 0.0002352100000000, -0.0002103000000000, 0.0001176900000000 ] - [ 0.0001149700000000, 0.0004954800000000, -0.0004458900000000 ] - [ 0.0001105300000000, 0.0002171600000000, -0.0002450900000000 ] - [ 0.0091884000000000, -0.0000540700000000, 0.0011733300000000 ] - [ 0.0098891500000000, -0.0005371900000000, -0.0005814000000000 ] - [ -0.0003799400000000, -0.0001796300000000, 0.0000628800000000 ] - [ -0.0001119900000000, -0.0001012400000000, 0.0001822100000000 ] - [ -0.0001838900000000, -0.0005105300000000, 0.0001429900000000 ] - [ -0.0002755100000000, -0.0001862200000000, 0.0001228900000000 ] - [ -0.0001563700000000, -0.0003149000000000, 0.0001853600000000 ] - [ -0.0002126400000000, -0.0001127200000000, 0.0001703100000000 ] - [ -0.0002640100000000, -0.0001826200000000, 0.0001256400000000 ] - [ 0.0008116600000000, 0.0000074800000000, -0.0000884800000000 ] - [ 0.0006310400000000, -0.0002838900000000, 0.0001789200000000 ] - [ 0.0006133800000000, -0.0002083700000000, -0.0000555600000000 ] - [ 0.0007302200000000, -0.0001846900000000, -0.0000260500000000 ] - [ 0.0007926100000000, -0.0001790300000000, 0.0000777300000000 ] - [ 0.0006691400000000, -0.0001906500000000, -0.0000182200000000 ] - [ 0.0008255500000000, -0.0002786000000000, -0.0002071200000000 ] - [ 0.0007585800000000, -0.0000444700000000, 0.0003183100000000 ] - [ 0.0005561000000000, -0.0001870400000000, -0.0000733200000000 ] - [ -0.0007962600000000, 0.0002056800000000, 0.0008145500000000 ] - [ -0.0005327200000000, 0.0001704400000000, -0.0006904400000000 ] - [ -0.0009041000000000, 0.0001738700000000, -0.0001266100000000 ] - [ -0.0006592700000000, 0.0002200800000000, 0.0000961100000000 ] - [ -0.0007319400000000, 0.0001502000000000, -0.0000703000000000 ] - [ -0.0008042600000000, 0.0001824600000000, -0.0000584500000000 ] - [ -0.0006768300000000, 0.0001651600000000, 0.0000849300000000 ] - [ -0.0007148000000000, 0.0002247500000000, -0.0000417500000000 ] - [ -0.0008052600000000, 0.0001684000000000, -0.0000680700000000 ] - [ -0.0005435800000000, -0.0008507200000000, -0.0000015200000000 ] - [ -0.0009635500000000, -0.0003573800000000, 0.0000727100000000 ] - [ -0.0008888600000000, -0.0001502200000000, -0.0000813800000000 ] - [ -0.0006163700000000, -0.0001976200000000, 0.0000129700000000 ] - [ -0.0007807900000000, -0.0001857200000000, -0.0000030900000000 ] - [ -0.0008029900000000, -0.0001770000000000, -0.0000444900000000 ] - [ -0.0000843000000000, 0.0003459500000000, -0.0001107800000000 ] - [ -0.0012343900000000, 0.0001803800000000, 0.0000928200000000 ] - [ -0.0009985200000000, -0.0002167600000000, -0.0000950100000000 ] - [ 0.0003195400000000, 0.0001506000000000, 0.0005048200000000 ] - [ 0.0011115200000000, 0.0001991200000000, 0.0002715400000000 ] - [ 0.0005069100000000, 0.0001807000000000, -0.0001151400000000 ] - [ 0.0006764000000000, 0.0002419400000000, -0.0000119100000000 ] - [ 0.0008593400000000, 0.0001377900000000, 0.0000725100000000 ] - [ 0.0006475200000000, 0.0001847600000000, -0.0000348800000000 ] - [ 0.0007063900000000, 0.0001365800000000, 0.0000278800000000 ] - [ 0.0008365400000000, 0.0002127600000000, 0.0000724700000000 ] - [ 0.0006433000000000, 0.0002075700000000, -0.0000534500000000 ] - [ -0.0002659300000000, 0.0004441200000000, -0.0036154300000000 ] - [ -0.0003681900000000, 0.0003037100000000, 0.0022356900000000 ] - [ -0.0006252700000000, 0.0003084700000000, -0.0002035700000000 ] - [ -0.0007994100000000, 0.0001440200000000, -0.0005093900000000 ] - [ -0.0009053300000000, 0.0004775000000000, -0.0001003400000000 ] - [ -0.0007514400000000, 0.0003051100000000, -0.0002593700000000 ] - [ -0.0008278600000000, 0.0004588800000000, -0.0004767200000000 ] - [ -0.0008621500000000, 0.0002088700000000, -0.0001854600000000 ] - [ -0.0007363500000000, 0.0003157800000000, -0.0002452100000000 ] - [ 0.0011579400000000, -0.0014943300000000, 0.0003956400000000 ] - [ 0.0009102600000000, 0.0003244800000000, 0.0002717900000000 ] - [ 0.0009482400000000, -0.0003234600000000, 0.0003647500000000 ] - [ 0.0007091700000000, -0.0003054900000000, 0.0003940500000000 ] - [ 0.0008788300000000, -0.0002922300000000, 0.0001902200000000 ] - [ 0.0008653400000000, -0.0003409200000000, 0.0003252900000000 ] - [ 0.0008195400000000, 0.0021776200000000, 0.0009303900000000 ] - [ 0.0013041100000000, -0.0023712600000000, -0.0001517100000000 ] - [ 0.0010107700000000, -0.0003635700000000, 0.0003681800000000 ] - [ 0.0012614400000000, 0.0002883200000000, 0.0000923700000000 ] - [ 0.0006689400000000, 0.0001761300000000, 0.0011436000000000 ] - [ 0.0009532900000000, 0.0003315400000000, 0.0004847600000000 ] - [ 0.0007891300000000, 0.0002332200000000, 0.0003760500000000 ] - [ 0.0007846200000000, 0.0003900000000000, 0.0001698000000000 ] - [ 0.0008660800000000, 0.0003354600000000, 0.0003547900000000 ] - [ 0.0008078700000000, 0.0003688900000000, 0.0003252100000000 ] - [ 0.0007595500000000, 0.0002539400000000, 0.0001960300000000 ] - [ 0.0008725800000000, 0.0003215500000000, 0.0003764100000000 ] - [ -0.0010400300000000, -0.0005058100000000, 0.0000188300000000 ] - [ -0.0006517300000000, -0.0002233200000000, -0.0004411400000000 ] - [ -0.0007047100000000, -0.0003166400000000, -0.0002049400000000 ] - [ -0.0008281900000000, -0.0003155100000000, -0.0003445400000000 ] - [ -0.0008400500000000, -0.0003327500000000, -0.0002834900000000 ] - [ -0.0007609400000000, -0.0003102500000000, -0.0002645900000000 ] - [ -0.0010008600000000, -0.0002077700000000, 0.0001032200000000 ] - [ -0.0007300600000000, -0.0006062200000000, -0.0005557500000000 ] - [ -0.0006699700000000, -0.0002646200000000, -0.0001705700000000 ]- atom: 1 displacement: [ -0.0099999580557189, 0.0000000000000000, -0.0000289634918988 ] forces: - [ 0.0224226100000000, -0.0007566300000000, 0.0020171400000000 ] - [ -0.0003532500000000, -0.0007261400000000, 0.0004007600000000 ] - [ -0.0003528600000000, -0.0005923700000000, 0.0004035600000000 ] - [ 0.0000791500000000, -0.0005893900000000, 0.0005568000000000 ] - [ -0.0001171300000000, -0.0006732300000000, 0.0004600000000000 ] - [ -0.0001101100000000, -0.0006206000000000, 0.0004639800000000 ] - [ 0.0000792200000000, -0.0007224400000000, 0.0005521800000000 ] - [ -0.0001100400000000, -0.0005057600000000, 0.0004615700000000 ] - [ -0.0001173900000000, -0.0006613600000000, 0.0004673800000000 ] - [ -0.0000568600000000, 0.0007256800000000, -0.0005112000000000 ] - [ 0.0004925100000000, 0.0003043700000000, -0.0006171800000000 ] - [ -0.0000601700000000, 0.0006035700000000, -0.0005490100000000 ] - [ -0.0000063500000000, 0.0006382600000000, -0.0005092200000000 ] - [ 0.0001362400000000, 0.0006215900000000, -0.0004499900000000 ] - [ -0.0000015800000000, 0.0006284100000000, -0.0005160300000000 ] - [ -0.0001452400000000, 0.0005047000000000, -0.0005118400000000 ] - [ 0.0005109200000000, 0.0009118500000000, -0.0004742100000000 ] - [ -0.0001306100000000, 0.0006474800000000, -0.0005985200000000 ] - [ -0.0005022200000000, -0.0006241200000000, -0.0012346200000000 ] - [ -0.0003236900000000, -0.0006225100000000, 0.0006497900000000 ] - [ -0.0001270000000000, -0.0006420000000000, -0.0005877500000000 ] - [ -0.0000119900000000, -0.0005956700000000, -0.0005373100000000 ] - [ 0.0001598700000000, -0.0006612500000000, -0.0004188400000000 ] - [ -0.0000158200000000, -0.0006331800000000, -0.0005199400000000 ] - [ -0.0000121200000000, -0.0007083500000000, -0.0005382600000000 ] - [ 0.0001600400000000, -0.0005574200000000, -0.0004321900000000 ] - [ -0.0000157700000000, -0.0006121600000000, -0.0005119000000000 ] - [ 0.0001130100000000, 0.0006908500000000, 0.0006037700000000 ] - [ -0.0001185300000000, 0.0005388700000000, 0.0004357700000000 ] - [ -0.0001186700000000, 0.0006409100000000, 0.0004393500000000 ] - [ 0.0000373900000000, 0.0006349000000000, 0.0005409800000000 ] - [ -0.0000822600000000, 0.0006210000000000, 0.0004682600000000 ] - [ -0.0000823200000000, 0.0006307900000000, 0.0004687000000000 ] - [ 0.0001898500000000, 0.0005509300000000, 0.0006916300000000 ] - [ -0.0001525700000000, 0.0007202500000000, 0.0003931000000000 ] - [ -0.0001527700000000, 0.0006192500000000, 0.0004123600000000 ] - [ -0.0002153100000000, 0.0001139100000000, 0.0002295600000000 ] - [ -0.0002505700000000, 0.0002862600000000, 0.0000942800000000 ] - [ -0.0001627700000000, 0.0002231500000000, 0.0002239100000000 ] - [ -0.0002198000000000, 0.0002277400000000, 0.0001606900000000 ] - [ -0.0002391800000000, 0.0001645500000000, 0.0001320900000000 ] - [ -0.0001838000000000, 0.0002143400000000, 0.0001958100000000 ] - [ -0.0001496400000000, 0.0001763000000000, 0.0002464300000000 ] - [ -0.0003281600000000, 0.0001325400000000, 0.0000593200000000 ] - [ -0.0001274200000000, 0.0002234800000000, 0.0002732400000000 ] - [ 0.0001593700000000, -0.0001997200000000, -0.0006847900000000 ] - [ 0.0002972400000000, -0.0004510900000000, 0.0002146800000000 ] - [ 0.0003426800000000, -0.0001625600000000, 0.0000047300000000 ] - [ 0.0001567200000000, -0.0002993500000000, -0.0001188300000000 ] - [ 0.0002410700000000, -0.0000964700000000, -0.0002071100000000 ] - [ 0.0002659700000000, -0.0001962900000000, -0.0001152000000000 ] - [ 0.0001887600000000, -0.0001672200000000, -0.0001605700000000 ] - [ 0.0002052100000000, -0.0002601300000000, -0.0001969200000000 ] - [ 0.0002558200000000, -0.0001892700000000, -0.0001167200000000 ] - [ 0.0001774400000000, -0.0000260300000000, -0.0002177900000000 ] - [ 0.0002413600000000, 0.0003982000000000, -0.0000557800000000 ] - [ 0.0002712500000000, 0.0001885900000000, -0.0001112900000000 ] - [ 0.0001971100000000, 0.0002684600000000, -0.0001866200000000 ] - [ 0.0002006500000000, 0.0001677700000000, -0.0001605600000000 ] - [ 0.0002507300000000, 0.0001900700000000, -0.0001340500000000 ] - [ 0.0001946200000000, 0.0006239400000000, -0.0004439900000000 ] - [ 0.0003142500000000, -0.0000864100000000, 0.0001193300000000 ] - [ 0.0003196300000000, 0.0001932400000000, -0.0000796900000000 ] - [ -0.0100159500000000, -0.0004269300000000, -0.0008496500000000 ] - [ -0.0099229500000000, 0.0000562600000000, 0.0009159000000000 ] - [ -0.0000502200000000, -0.0002306600000000, 0.0002622100000000 ] - [ -0.0003195400000000, -0.0003081000000000, 0.0001429000000000 ] - [ -0.0002465500000000, 0.0000977500000000, 0.0001815700000000 ] - [ -0.0001549500000000, -0.0002238900000000, 0.0002025100000000 ] - [ -0.0002742400000000, -0.0000962700000000, 0.0001399200000000 ] - [ -0.0002179800000000, -0.0002969400000000, 0.0001537900000000 ] - [ -0.0001662000000000, -0.0002281500000000, 0.0001998100000000 ] - [ 0.0006495700000000, -0.0003780900000000, 0.0001130500000000 ] - [ 0.0008307600000000, -0.0000858800000000, -0.0001533100000000 ] - [ 0.0008488100000000, -0.0001610900000000, 0.0000794000000000 ] - [ 0.0007324100000000, -0.0001844500000000, 0.0000506400000000 ] - [ 0.0006698000000000, -0.0001900700000000, -0.0000531900000000 ] - [ 0.0007929500000000, -0.0001783100000000, 0.0000419900000000 ] - [ 0.0006352800000000, -0.0000896400000000, 0.0002323300000000 ] - [ 0.0007018500000000, -0.0003245600000000, -0.0002935900000000 ] - [ 0.0009058400000000, -0.0001824200000000, 0.0000972000000000 ] - [ -0.0006631500000000, 0.0001635800000000, -0.0008445300000000 ] - [ -0.0009253000000000, 0.0001988500000000, 0.0006662000000000 ] - [ -0.0005583400000000, 0.0001954000000000, 0.0001027900000000 ] - [ -0.0008024700000000, 0.0001495000000000, -0.0001204100000000 ] - [ -0.0007303200000000, 0.0002189900000000, 0.0000455000000000 ] - [ -0.0006583700000000, 0.0001869900000000, 0.0000345700000000 ] - [ -0.0007851300000000, 0.0002040300000000, -0.0001093700000000 ] - [ -0.0007475200000000, 0.0001447600000000, 0.0000174300000000 ] - [ -0.0006575500000000, 0.0002006900000000, 0.0000433700000000 ] - [ -0.0009143300000000, 0.0004513400000000, -0.0000232700000000 ] - [ -0.0005009800000000, -0.0000120100000000, -0.0000961000000000 ] - [ -0.0005742300000000, -0.0002187000000000, 0.0000568700000000 ] - [ -0.0008458700000000, -0.0001712900000000, -0.0000373500000000 ] - [ -0.0006821300000000, -0.0001834000000000, -0.0000206000000000 ] - [ -0.0006594400000000, -0.0001918000000000, 0.0000199400000000 ] - [ -0.0013712000000000, -0.0006647300000000, 0.0000921900000000 ] - [ -0.0002253900000000, -0.0005544600000000, -0.0001184100000000 ] - [ -0.0004663300000000, -0.0001527500000000, 0.0000706800000000 ] - [ 0.0011481500000000, 0.0002187500000000, -0.0004851800000000 ] - [ 0.0003481000000000, 0.0001697200000000, -0.0002467200000000 ] - [ 0.0009558900000000, 0.0001882800000000, 0.0001399600000000 ] - [ 0.0007861200000000, 0.0001276600000000, 0.0000355600000000 ] - [ 0.0006036200000000, 0.0002316400000000, -0.0000482600000000 ] - [ 0.0008148700000000, 0.0001844300000000, 0.0000594200000000 ] - [ 0.0007562200000000, 0.0002325700000000, -0.0000043900000000 ] - [ 0.0006264400000000, 0.0001564000000000, -0.0000483000000000 ] - [ 0.0008189200000000, 0.0001613400000000, 0.0000773800000000 ] - [ -0.0013656700000000, 0.0001942000000000, 0.0030371000000000 ] - [ -0.0012541700000000, 0.0003382100000000, -0.0028223200000000 ] - [ -0.0009976900000000, 0.0003326700000000, -0.0003965700000000 ] - [ -0.0008234300000000, 0.0004974300000000, -0.0000902300000000 ] - [ -0.0007175900000000, 0.0001642400000000, -0.0004980700000000 ] - [ -0.0008713400000000, 0.0003365700000000, -0.0003412200000000 ] - [ -0.0007947800000000, 0.0001821200000000, -0.0001227800000000 ] - [ -0.0007607400000000, 0.0004328900000000, -0.0004130100000000 ] - [ -0.0008859700000000, 0.0003259800000000, -0.0003549300000000 ] - [ 0.0004672500000000, 0.0008615100000000, 0.0002037000000000 ] - [ 0.0007139100000000, -0.0009624700000000, 0.0003283900000000 ] - [ 0.0006745500000000, -0.0003181000000000, 0.0002357500000000 ] - [ 0.0009135100000000, -0.0003361600000000, 0.0002051500000000 ] - [ 0.0007443900000000, -0.0003495200000000, 0.0004087900000000 ] - [ 0.0007575300000000, -0.0002998100000000, 0.0002749200000000 ] - [ 0.0007947700000000, -0.0028282000000000, -0.0003334200000000 ] - [ 0.0003310800000000, 0.0017324400000000, 0.0007521600000000 ] - [ 0.0006124900000000, -0.0002792800000000, 0.0002317900000000 ] - [ 0.0003568200000000, 0.0003525600000000, 0.0005170500000000 ] - [ 0.0009510600000000, 0.0004655000000000, -0.0005480800000000 ] - [ 0.0006685000000000, 0.0003098400000000, 0.0001147700000000 ] - [ 0.0008322000000000, 0.0004072300000000, 0.0002246100000000 ] - [ 0.0008375600000000, 0.0002519400000000, 0.0004299900000000 ] - [ 0.0007564300000000, 0.0003063200000000, 0.0002454300000000 ] - [ 0.0008143500000000, 0.0002725900000000, 0.0002759400000000 ] - [ 0.0008621300000000, 0.0003871800000000, 0.0004048300000000 ] - [ 0.0007500000000000, 0.0003198600000000, 0.0002236100000000 ] - [ -0.0005798500000000, -0.0001374400000000, -0.0006114700000000 ] - [ -0.0009695600000000, -0.0004178200000000, -0.0001602600000000 ] - [ -0.0009169300000000, -0.0003244500000000, -0.0003941400000000 ] - [ -0.0007938700000000, -0.0003262500000000, -0.0002556900000000 ] - [ -0.0007819100000000, -0.0003081300000000, -0.0003180800000000 ] - [ -0.0008609200000000, -0.0003311600000000, -0.0003352600000000 ] - [ -0.0006181000000000, -0.0004322900000000, -0.0007023000000000 ] - [ -0.0008894800000000, -0.0000345700000000, -0.0000432700000000 ] - [ -0.0009522200000000, -0.0003769700000000, -0.0004285800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002110400000000, -0.0278219000000000, -0.0005875200000000 ] - [ -0.0000800800000000, -0.0007384600000000, 0.0004937900000000 ] - [ 0.0000538200000000, -0.0007383700000000, 0.0005524200000000 ] - [ 0.0000503700000000, -0.0003326900000000, 0.0005299800000000 ] - [ -0.0000099300000000, -0.0005507200000000, 0.0004988800000000 ] - [ -0.0001655500000000, -0.0005779900000000, 0.0004401500000000 ] - [ -0.0000827300000000, -0.0003325100000000, 0.0004794300000000 ] - [ -0.0000508100000000, -0.0005781000000000, 0.0004897600000000 ] - [ 0.0000018600000000, -0.0005510600000000, 0.0004991400000000 ] - [ -0.0000545300000000, 0.0004057300000000, -0.0005338800000000 ] - [ 0.0003625700000000, 0.0014441300000000, 0.0007764700000000 ] - [ 0.0000675600000000, 0.0005438600000000, -0.0004619500000000 ] - [ 0.0000330800000000, 0.0007496300000000, -0.0004891100000000 ] - [ 0.0000497300000000, 0.0007201000000000, -0.0004888900000000 ] - [ 0.0000429300000000, 0.0006778900000000, -0.0004928500000000 ] - [ 0.0001664900000000, 0.0007158600000000, -0.0004725200000000 ] - [ -0.0002357800000000, 0.0013495900000000, -0.0013817100000000 ] - [ 0.0000237200000000, 0.0006627000000000, -0.0005096100000000 ] - [ 0.0000482100000000, -0.0010131100000000, -0.0004654100000000 ] - [ 0.0000480100000000, -0.0010149200000000, -0.0005545900000000 ] - [ 0.0000291300000000, -0.0007168200000000, -0.0005056500000000 ] - [ -0.0000367800000000, -0.0004788000000000, -0.0005745300000000 ] - [ 0.0001139400000000, -0.0005467300000000, -0.0004829300000000 ] - [ 0.0000590300000000, -0.0005876300000000, -0.0004835600000000 ] - [ 0.0000756500000000, -0.0004791800000000, -0.0004619500000000 ] - [ 0.0000099900000000, -0.0005465300000000, -0.0004827800000000 ] - [ 0.0000381000000000, -0.0005877000000000, -0.0004932700000000 ] - [ 0.0000194200000000, 0.0004460600000000, 0.0005161400000000 ] - [ -0.0000303400000000, 0.0005294900000000, 0.0005055600000000 ] - [ -0.0001324400000000, 0.0005296300000000, 0.0004051500000000 ] - [ -0.0000365200000000, 0.0007359100000000, 0.0004938400000000 ] - [ -0.0000405500000000, 0.0006886900000000, 0.0004928000000000 ] - [ -0.0000504300000000, 0.0006885600000000, 0.0004911500000000 ] - [ -0.0001198500000000, 0.0007000300000000, 0.0004471500000000 ] - [ -0.0000522200000000, 0.0006661300000000, 0.0004853600000000 ] - [ 0.0000489100000000, 0.0006660400000000, 0.0005654700000000 ] - [ -0.0000655300000000, -0.0000426700000000, 0.0009006800000000 ] - [ -0.0002350500000000, 0.0002150000000000, 0.0001434500000000 ] - [ -0.0001929100000000, 0.0002353700000000, 0.0001955800000000 ] - [ -0.0002236600000000, 0.0000501600000000, 0.0001667100000000 ] - [ -0.0002222100000000, 0.0001107400000000, 0.0001741000000000 ] - [ -0.0002191300000000, 0.0001326100000000, 0.0001707800000000 ] - [ -0.0003259300000000, 0.0006408500000000, -0.0004122800000000 ] - [ -0.0001877200000000, 0.0002466200000000, 0.0001194900000000 ] - [ -0.0002317200000000, 0.0002422900000000, 0.0001190200000000 ] - [ 0.0002810700000000, 0.0002524100000000, 0.0000662800000000 ] - [ 0.0002428700000000, -0.0001410300000000, -0.0000688800000000 ] - [ 0.0001924700000000, -0.0001367800000000, -0.0001978000000000 ] - [ 0.0001921700000000, -0.0003576900000000, 0.0001049900000000 ] - [ 0.0001659300000000, -0.0002394100000000, -0.0001979800000000 ] - [ 0.0002551600000000, -0.0002036000000000, -0.0001309400000000 ] - [ 0.0002139400000000, -0.0003997700000000, -0.0002121600000000 ] - [ 0.0002208900000000, -0.0003034400000000, -0.0001338300000000 ] - [ 0.0002031000000000, -0.0002879600000000, -0.0001644600000000 ] - [ 0.0002448200000000, -0.0000341700000000, -0.0003571300000000 ] - [ 0.0000958000000000, 0.0001617300000000, -0.0003095500000000 ] - [ 0.0002287200000000, 0.0002369000000000, -0.0001575400000000 ] - [ 0.0002203400000000, 0.0000298800000000, -0.0001720600000000 ] - [ 0.0002249600000000, 0.0000938800000000, -0.0001728100000000 ] - [ 0.0002211000000000, 0.0001291500000000, -0.0001671500000000 ] - [ 0.0000218100000000, 0.0003802900000000, 0.0000872400000000 ] - [ 0.0002867300000000, 0.0002843500000000, -0.0000959200000000 ] - [ 0.0001890000000000, 0.0002443600000000, -0.0001667500000000 ] - [ 0.0005319900000000, 0.0007025300000000, 0.0003018700000000 ] - [ -0.0010903500000000, 0.0001654500000000, 0.0003386500000000 ] - [ -0.0002356100000000, -0.0001134500000000, 0.0001586000000000 ] - [ 0.0000687900000000, -0.0007137500000000, 0.0000085000000000 ] - [ -0.0003335900000000, -0.0003833300000000, 0.0000891900000000 ] - [ -0.0002089900000000, -0.0002224000000000, 0.0001751700000000 ] - [ -0.0002667000000000, -0.0004663900000000, 0.0001723900000000 ] - [ -0.0001869700000000, -0.0003451600000000, 0.0001703000000000 ] - [ -0.0002131100000000, -0.0002846100000000, 0.0001514400000000 ] - [ 0.0010877400000000, -0.0001362600000000, 0.0003483000000000 ] - [ 0.0005042700000000, -0.0001430400000000, 0.0000931100000000 ] - [ 0.0007759500000000, -0.0001500100000000, 0.0000311200000000 ] - [ 0.0007004700000000, -0.0002831400000000, 0.0000093100000000 ] - [ 0.0007028100000000, -0.0002494000000000, -0.0000052400000000 ] - [ 0.0007176700000000, -0.0002247800000000, 0.0000052500000000 ] - [ 0.0005555600000000, -0.0002197800000000, -0.0002638500000000 ] - [ 0.0009194600000000, -0.0001801100000000, 0.0000090500000000 ] - [ 0.0007000100000000, -0.0001841400000000, -0.0000040200000000 ] - [ -0.0006796000000000, 0.0003349300000000, 0.0001141200000000 ] - [ -0.0007404200000000, 0.0002003500000000, 0.0001290000000000 ] - [ -0.0007493800000000, 0.0002540400000000, -0.0000018800000000 ] - [ -0.0007427900000000, 0.0001003400000000, -0.0001289400000000 ] - [ -0.0007533600000000, 0.0001556800000000, -0.0000854600000000 ] - [ -0.0006720000000000, 0.0001611900000000, 0.0000175600000000 ] - [ -0.0007592800000000, 0.0001071900000000, -0.0000168100000000 ] - [ -0.0007338200000000, 0.0001474700000000, -0.0000012800000000 ] - [ -0.0007660100000000, 0.0001365800000000, -0.0000445500000000 ] - [ -0.0007378400000000, 0.0108345900000000, -0.0000673000000000 ] - [ -0.0010306400000000, -0.0001681000000000, 0.0000212500000000 ] - [ -0.0006382700000000, -0.0001387300000000, -0.0000171400000000 ] - [ -0.0006992900000000, -0.0003556500000000, 0.0000010800000000 ] - [ -0.0007136600000000, -0.0002459200000000, -0.0000025200000000 ] - [ -0.0007012400000000, -0.0002408100000000, 0.0000125100000000 ] - [ -0.0008188700000000, 0.0121241700000000, 0.0004006000000000 ] - [ -0.0006702900000000, -0.0000996900000000, -0.0000321600000000 ] - [ -0.0008696100000000, -0.0001752500000000, -0.0000379800000000 ] - [ 0.0007666400000000, 0.0003939400000000, -0.0002419300000000 ] - [ 0.0006218300000000, 0.0003597100000000, -0.0003026100000000 ] - [ 0.0007110100000000, 0.0002309000000000, 0.0000031600000000 ] - [ 0.0007697800000000, 0.0000297300000000, 0.0001616000000000 ] - [ 0.0006393800000000, 0.0000921500000000, -0.0000905000000000 ] - [ 0.0007363500000000, 0.0001710400000000, 0.0000178800000000 ] - [ 0.0007504500000000, 0.0000927600000000, 0.0000222000000000 ] - [ 0.0008116400000000, 0.0000829000000000, 0.0001056500000000 ] - [ 0.0007441700000000, 0.0001500700000000, 0.0000170300000000 ] - [ -0.0007723900000000, -0.0003771500000000, -0.0009031500000000 ] - [ -0.0007487100000000, 0.0002572500000000, -0.0006463200000000 ] - [ -0.0007608000000000, 0.0002461700000000, -0.0003014600000000 ] - [ -0.0006917800000000, 0.0006826900000000, 0.0000490300000000 ] - [ -0.0007488500000000, 0.0004263400000000, -0.0001889900000000 ] - [ -0.0008408000000000, 0.0003324400000000, -0.0003517400000000 ] - [ -0.0008700300000000, 0.0005203200000000, -0.0002956000000000 ] - [ -0.0009017200000000, 0.0004120100000000, -0.0002810400000000 ] - [ -0.0008235800000000, 0.0003896000000000, -0.0002463400000000 ] - [ -0.0014040900000000, 0.0003202100000000, 0.0006826000000000 ] - [ 0.0012750200000000, -0.0002153600000000, 0.0003895700000000 ] - [ 0.0008263000000000, -0.0003273600000000, 0.0003502500000000 ] - [ 0.0007548200000000, -0.0000854500000000, 0.0003555900000000 ] - [ 0.0008004900000000, -0.0001805600000000, 0.0003523200000000 ] - [ 0.0007730500000000, -0.0002516300000000, 0.0003253600000000 ] - [ 0.0032628700000000, -0.0002594000000000, 0.0000171600000000 ] - [ 0.0000025100000000, -0.0001273200000000, 0.0001707600000000 ] - [ 0.0008695600000000, -0.0003561700000000, 0.0002326200000000 ] - [ 0.0007272300000000, 0.0000134100000000, 0.0007139700000000 ] - [ 0.0007950400000000, 0.0004647400000000, 0.0002952600000000 ] - [ 0.0007942700000000, 0.0002552400000000, 0.0003025300000000 ] - [ 0.0008016100000000, 0.0006910000000000, 0.0001296500000000 ] - [ 0.0008214800000000, 0.0003566600000000, 0.0004196800000000 ] - [ 0.0007819100000000, 0.0003282700000000, 0.0003132800000000 ] - [ 0.0008687700000000, 0.0004687800000000, 0.0002947100000000 ] - [ 0.0008261200000000, 0.0004045400000000, 0.0001795100000000 ] - [ 0.0008479000000000, 0.0003824500000000, 0.0002779900000000 ] - [ -0.0010162000000000, 0.0000630500000000, -0.0031549800000000 ] - [ -0.0006582400000000, -0.0003697600000000, -0.0004151100000000 ] - [ -0.0008996700000000, -0.0003637900000000, -0.0003802200000000 ] - [ -0.0007591600000000, -0.0001305300000000, -0.0003687900000000 ] - [ -0.0007708900000000, -0.0002263100000000, -0.0003298300000000 ] - [ -0.0007939700000000, -0.0002392400000000, -0.0003481400000000 ] - [ -0.0006707400000000, -0.0003802100000000, 0.0026121800000000 ] - [ -0.0009206900000000, -0.0003472700000000, -0.0002008100000000 ] - [ -0.0007528800000000, -0.0003484000000000, -0.0001641700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001739700000000, 0.0266092200000000, 0.0016762900000000 ] - [ -0.0000051600000000, -0.0005208000000000, 0.0004907100000000 ] - [ -0.0001388800000000, -0.0005206900000000, 0.0004319400000000 ] - [ -0.0001356600000000, -0.0009256200000000, 0.0004541300000000 ] - [ -0.0000744800000000, -0.0007072000000000, 0.0004857100000000 ] - [ 0.0000810200000000, -0.0006798700000000, 0.0005443500000000 ] - [ -0.0000027200000000, -0.0009254600000000, 0.0005044600000000 ] - [ -0.0000338500000000, -0.0006801000000000, 0.0004948200000000 ] - [ -0.0000864000000000, -0.0007074800000000, 0.0004854100000000 ] - [ 0.0001381600000000, 0.0008519900000000, -0.0004510300000000 ] - [ -0.0002757100000000, -0.0001809300000000, -0.0017507900000000 ] - [ 0.0000168400000000, 0.0007141100000000, -0.0005225400000000 ] - [ 0.0000513300000000, 0.0005092400000000, -0.0004955500000000 ] - [ 0.0000346400000000, 0.0005386000000000, -0.0004960200000000 ] - [ 0.0000414000000000, 0.0005808200000000, -0.0004919800000000 ] - [ -0.0000826400000000, 0.0005424700000000, -0.0005122300000000 ] - [ 0.0003222900000000, -0.0000973300000000, 0.0004053000000000 ] - [ 0.0000603400000000, 0.0005957700000000, -0.0004752700000000 ] - [ 0.0000377200000000, -0.0002459500000000, -0.0005182300000000 ] - [ 0.0000341400000000, -0.0002442700000000, -0.0004270300000000 ] - [ 0.0000548800000000, -0.0005418000000000, -0.0004794100000000 ] - [ 0.0001211200000000, -0.0007785900000000, -0.0004101900000000 ] - [ -0.0000294900000000, -0.0007113400000000, -0.0005014100000000 ] - [ 0.0000253000000000, -0.0006704500000000, -0.0005012300000000 ] - [ 0.0000090500000000, -0.0007790000000000, -0.0005223500000000 ] - [ 0.0000743800000000, -0.0007112100000000, -0.0005014500000000 ] - [ 0.0000462000000000, -0.0006705500000000, -0.0004916200000000 ] - [ -0.0001034700000000, 0.0008117600000000, 0.0004686900000000 ] - [ -0.0000540800000000, 0.0007281000000000, 0.0004791500000000 ] - [ 0.0000473800000000, 0.0007282500000000, 0.0005791500000000 ] - [ -0.0000480700000000, 0.0005229200000000, 0.0004908000000000 ] - [ -0.0000440100000000, 0.0005701700000000, 0.0004917500000000 ] - [ -0.0000339900000000, 0.0005699600000000, 0.0004933600000000 ] - [ 0.0000359200000000, 0.0005583600000000, 0.0005381600000000 ] - [ -0.0000324900000000, 0.0005924200000000, 0.0004990700000000 ] - [ -0.0001333900000000, 0.0005923100000000, 0.0004190300000000 ] - [ -0.0003640000000000, 0.0004509300000000, -0.0005704900000000 ] - [ -0.0001951200000000, 0.0001959700000000, 0.0001814800000000 ] - [ -0.0002366600000000, 0.0001751400000000, 0.0001289700000000 ] - [ -0.0002065200000000, 0.0003603300000000, 0.0001579900000000 ] - [ -0.0002081800000000, 0.0002995600000000, 0.0001513000000000 ] - [ -0.0002107700000000, 0.0002781100000000, 0.0001542800000000 ] - [ -0.0001043400000000, -0.0002347800000000, 0.0007373200000000 ] - [ -0.0002427600000000, 0.0001632300000000, 0.0002045200000000 ] - [ -0.0001980800000000, 0.0001686800000000, 0.0002062400000000 ] - [ 0.0001493700000000, -0.0006581100000000, -0.0003726000000000 ] - [ 0.0001885100000000, -0.0002714000000000, -0.0002533500000000 ] - [ 0.0002374600000000, -0.0002739600000000, -0.0001263600000000 ] - [ 0.0002376100000000, -0.0000530500000000, -0.0004317600000000 ] - [ 0.0002638300000000, -0.0001708700000000, -0.0001270500000000 ] - [ 0.0001754300000000, -0.0002071800000000, -0.0001938100000000 ] - [ 0.0002158100000000, -0.0000124400000000, -0.0001139100000000 ] - [ 0.0002092100000000, -0.0001075000000000, -0.0001913500000000 ] - [ 0.0002269800000000, -0.0001225500000000, -0.0001597800000000 ] - [ 0.0001855000000000, 0.0004421700000000, 0.0000304900000000 ] - [ 0.0003335800000000, 0.0002485200000000, -0.0000164700000000 ] - [ 0.0002014400000000, 0.0001739600000000, -0.0001677700000000 ] - [ 0.0002097400000000, 0.0003803900000000, -0.0001527300000000 ] - [ 0.0002050800000000, 0.0003161000000000, -0.0001516900000000 ] - [ 0.0002092600000000, 0.0002809300000000, -0.0001574600000000 ] - [ 0.0004110900000000, 0.0000292300000000, -0.0004144200000000 ] - [ 0.0001426100000000, 0.0001237600000000, -0.0002279500000000 ] - [ 0.0002413000000000, 0.0001660900000000, -0.0001581600000000 ] - [ -0.0009249900000000, -0.0011070800000000, 0.0000236600000000 ] - [ 0.0006352300000000, -0.0005693600000000, -0.0000121400000000 ] - [ -0.0001938100000000, -0.0002967900000000, 0.0001663700000000 ] - [ -0.0005026600000000, 0.0003041000000000, 0.0003173200000000 ] - [ -0.0000965200000000, -0.0000293900000000, 0.0002357800000000 ] - [ -0.0002211200000000, -0.0001882600000000, 0.0001503500000000 ] - [ -0.0001640600000000, 0.0000526000000000, 0.0001530700000000 ] - [ -0.0002429100000000, -0.0000660900000000, 0.0001540300000000 ] - [ -0.0002168200000000, -0.0001261200000000, 0.0001740000000000 ] - [ 0.0003770000000000, -0.0002330000000000, -0.0003220600000000 ] - [ 0.0009577500000000, -0.0002254500000000, -0.0000675300000000 ] - [ 0.0006870700000000, -0.0002192000000000, -0.0000066900000000 ] - [ 0.0007622500000000, -0.0000861900000000, 0.0000152200000000 ] - [ 0.0007596600000000, -0.0001198400000000, 0.0000295400000000 ] - [ 0.0007447200000000, -0.0001442400000000, 0.0000186500000000 ] - [ 0.0009068300000000, -0.0001484200000000, 0.0002899200000000 ] - [ 0.0005418700000000, -0.0001902200000000, 0.0000143800000000 ] - [ 0.0007630700000000, -0.0001851400000000, 0.0000284000000000 ] - [ -0.0007836600000000, 0.0000337900000000, -0.0001382400000000 ] - [ -0.0007211400000000, 0.0001690700000000, -0.0001501500000000 ] - [ -0.0007128900000000, 0.0001153500000000, -0.0000223300000000 ] - [ -0.0007199000000000, 0.0002687100000000, 0.0001043500000000 ] - [ -0.0007090700000000, 0.0002135000000000, 0.0000606500000000 ] - [ -0.0007902900000000, 0.0002080800000000, -0.0000414100000000 ] - [ -0.0007033600000000, 0.0002618000000000, -0.0000076800000000 ] - [ -0.0007285600000000, 0.0002218000000000, -0.0000226900000000 ] - [ -0.0006968200000000, 0.0002324800000000, 0.0000197800000000 ] - [ -0.0007828300000000, -0.0107820300000000, -0.0000065100000000 ] - [ -0.0004336500000000, -0.0002010700000000, -0.0000445300000000 ] - [ -0.0008235600000000, -0.0002305900000000, -0.0000070300000000 ] - [ -0.0007634300000000, -0.0000137600000000, -0.0000259900000000 ] - [ -0.0007486100000000, -0.0001233300000000, -0.0000213800000000 ] - [ -0.0007614500000000, -0.0001280900000000, -0.0000370100000000 ] - [ -0.0007091400000000, -0.0129870900000000, -0.0004832800000000 ] - [ -0.0007901200000000, -0.0002716900000000, 0.0000079400000000 ] - [ -0.0005927900000000, -0.0001939700000000, 0.0000139500000000 ] - [ 0.0006942000000000, -0.0000260900000000, 0.0002669600000000 ] - [ 0.0008390800000000, 0.0000099500000000, 0.0003187600000000 ] - [ 0.0007519200000000, 0.0001381500000000, 0.0000218700000000 ] - [ 0.0006930900000000, 0.0003384800000000, -0.0001371600000000 ] - [ 0.0008229600000000, 0.0002764300000000, 0.0001146500000000 ] - [ 0.0007263800000000, 0.0001980200000000, 0.0000068400000000 ] - [ 0.0007121400000000, 0.0002764200000000, 0.0000011000000000 ] - [ 0.0006512900000000, 0.0002864000000000, -0.0000811100000000 ] - [ 0.0007184400000000, 0.0002186900000000, 0.0000072300000000 ] - [ -0.0008465600000000, 0.0010222200000000, 0.0002989100000000 ] - [ -0.0008780900000000, 0.0003862500000000, 0.0000416200000000 ] - [ -0.0008617700000000, 0.0003952000000000, -0.0002976900000000 ] - [ -0.0009303900000000, -0.0000385100000000, -0.0006489300000000 ] - [ -0.0008735300000000, 0.0002156800000000, -0.0004101100000000 ] - [ -0.0007820700000000, 0.0003095100000000, -0.0002487100000000 ] - [ -0.0007523900000000, 0.0001209200000000, -0.0003045700000000 ] - [ -0.0007210800000000, 0.0002300900000000, -0.0003184500000000 ] - [ -0.0007988200000000, 0.0002523000000000, -0.0003534800000000 ] - [ 0.0030250400000000, -0.0009486100000000, -0.0000831800000000 ] - [ 0.0003493700000000, -0.0004241800000000, 0.0002100800000000 ] - [ 0.0007957800000000, -0.0003137500000000, 0.0002503100000000 ] - [ 0.0008670600000000, -0.0005551400000000, 0.0002436800000000 ] - [ 0.0008219100000000, -0.0004604800000000, 0.0002470600000000 ] - [ 0.0008498700000000, -0.0003889100000000, 0.0002747000000000 ] - [ -0.0016500700000000, -0.0003917100000000, 0.0005804400000000 ] - [ 0.0016249600000000, -0.0005110900000000, 0.0004299800000000 ] - [ 0.0007529900000000, -0.0002858400000000, 0.0003673700000000 ] - [ 0.0008960400000000, 0.0006297700000000, -0.0001099100000000 ] - [ 0.0008258200000000, 0.0001781600000000, 0.0002960500000000 ] - [ 0.0008271900000000, 0.0003860800000000, 0.0002961000000000 ] - [ 0.0008205200000000, -0.0000461900000000, 0.0004713200000000 ] - [ 0.0008009200000000, 0.0002854300000000, 0.0001807200000000 ] - [ 0.0008404600000000, 0.0003136200000000, 0.0002867400000000 ] - [ 0.0007540700000000, 0.0001725700000000, 0.0003069800000000 ] - [ 0.0007957400000000, 0.0002370300000000, 0.0004211200000000 ] - [ 0.0007746100000000, 0.0002589800000000, 0.0003216600000000 ] - [ -0.0006082500000000, -0.0006966500000000, 0.0025423900000000 ] - [ -0.0009636800000000, -0.0002716900000000, -0.0001865700000000 ] - [ -0.0007226000000000, -0.0002772700000000, -0.0002198300000000 ] - [ -0.0008628300000000, -0.0005101500000000, -0.0002311800000000 ] - [ -0.0008511300000000, -0.0004142900000000, -0.0002715100000000 ] - [ -0.0008278100000000, -0.0004019600000000, -0.0002516600000000 ] - [ -0.0009531800000000, -0.0002634600000000, -0.0032261400000000 ] - [ -0.0007001900000000, -0.0002907700000000, -0.0003984400000000 ] - [ -0.0008697500000000, -0.0002935400000000, -0.0004361600000000 ]- atom: 1 displacement: [ -0.0037270334771818, 0.0000000000000000, 0.0092795054534154 ] forces: - [ 0.0069197300000000, -0.0017257500000000, -0.0108487000000000 ] - [ -0.0000759000000000, -0.0006094400000000, 0.0005036900000000 ] - [ -0.0000725300000000, -0.0006140000000000, 0.0005048900000000 ] - [ -0.0000524900000000, -0.0006261000000000, 0.0004734700000000 ] - [ -0.0000470600000000, -0.0006392800000000, 0.0004817400000000 ] - [ -0.0000388000000000, -0.0006283300000000, 0.0004838600000000 ] - [ -0.0000567300000000, -0.0006285900000000, 0.0004717000000000 ] - [ -0.0000412100000000, -0.0006315100000000, 0.0004829500000000 ] - [ -0.0000401800000000, -0.0006350400000000, 0.0004844700000000 ] - [ 0.0000227000000000, 0.0006267500000000, -0.0004825000000000 ] - [ 0.0003246200000000, 0.0016854400000000, 0.0000767300000000 ] - [ 0.0000567600000000, 0.0006478500000000, -0.0005016100000000 ] - [ 0.0000397400000000, 0.0006356100000000, -0.0004886400000000 ] - [ 0.0000379300000000, 0.0006296600000000, -0.0005053800000000 ] - [ 0.0000478700000000, 0.0006285600000000, -0.0004927600000000 ] - [ -0.0000100900000000, 0.0006009400000000, -0.0004659500000000 ] - [ 0.0002000000000000, -0.0000977200000000, -0.0002055500000000 ] - [ 0.0000762500000000, 0.0006200300000000, -0.0004862900000000 ] - [ 0.0005254700000000, -0.0006514400000000, -0.0004119100000000 ] - [ -0.0011531800000000, -0.0005676400000000, 0.0004709700000000 ] - [ 0.0000675100000000, -0.0006217700000000, -0.0004755100000000 ] - [ 0.0000645200000000, -0.0006446800000000, -0.0004917800000000 ] - [ 0.0000302000000000, -0.0006496500000000, -0.0004834500000000 ] - [ 0.0000386300000000, -0.0006299000000000, -0.0004893400000000 ] - [ 0.0000635900000000, -0.0005824800000000, -0.0004921700000000 ] - [ 0.0000178800000000, -0.0006110000000000, -0.0004883900000000 ] - [ 0.0000461300000000, -0.0006310300000000, -0.0004864200000000 ] - [ -0.0000880500000000, 0.0006303600000000, 0.0005717200000000 ] - [ -0.0000215600000000, 0.0006762600000000, 0.0005188500000000 ] - [ -0.0000183300000000, 0.0006213300000000, 0.0005201600000000 ] - [ -0.0000577600000000, 0.0006299700000000, 0.0005038700000000 ] - [ -0.0000353100000000, 0.0006272600000000, 0.0005013700000000 ] - [ -0.0000349100000000, 0.0006293100000000, 0.0005015000000000 ] - [ -0.0001406800000000, 0.0006420400000000, 0.0006102600000000 ] - [ -0.0000093600000000, 0.0005951000000000, 0.0005312800000000 ] - [ 0.0000086600000000, 0.0006318100000000, 0.0005382900000000 ] - [ -0.0002218900000000, 0.0002155600000000, 0.0001176300000000 ] - [ -0.0002294800000000, 0.0001546000000000, 0.0000309600000000 ] - [ -0.0002275400000000, 0.0001977700000000, 0.0001486100000000 ] - [ -0.0002114300000000, 0.0001947600000000, 0.0001409100000000 ] - [ -0.0002199200000000, 0.0002333100000000, 0.0001435200000000 ] - [ -0.0002221200000000, 0.0002049300000000, 0.0001555800000000 ] - [ -0.0002223100000000, -0.0000437900000000, 0.0000323800000000 ] - [ -0.0002168500000000, 0.0003261100000000, -0.0001160500000000 ] - [ -0.0002432300000000, 0.0002074000000000, 0.0001361200000000 ] - [ 0.0002639200000000, -0.0002632100000000, 0.0042283400000000 ] - [ 0.0001665900000000, 0.0000430300000000, -0.0007379200000000 ] - [ 0.0001662600000000, -0.0001905700000000, -0.0001787400000000 ] - [ 0.0001668600000000, -0.0000471100000000, -0.0001657100000000 ] - [ 0.0002528800000000, -0.0001464900000000, -0.0002198900000000 ] - [ 0.0002000700000000, -0.0001997200000000, -0.0001738500000000 ] - [ 0.0001798000000000, -0.0002712000000000, -0.0001756800000000 ] - [ 0.0002206900000000, -0.0001944000000000, -0.0001878900000000 ] - [ 0.0002031000000000, -0.0002098600000000, -0.0001725000000000 ] - [ 0.0003112600000000, -0.0000967800000000, -0.0000005900000000 ] - [ 0.0001784700000000, 0.0001296600000000, -0.0000224600000000 ] - [ 0.0002188600000000, 0.0002033500000000, -0.0001583800000000 ] - [ 0.0002345000000000, 0.0002442000000000, -0.0001313100000000 ] - [ 0.0002184400000000, 0.0002457500000000, -0.0001341200000000 ] - [ 0.0002150300000000, 0.0002134700000000, -0.0001602800000000 ] - [ 0.0005859300000000, 0.0006064600000000, -0.0000432700000000 ] - [ 0.0000690900000000, 0.0004703700000000, 0.0001763600000000 ] - [ 0.0002201900000000, 0.0002437000000000, -0.0001591000000000 ] - [ -0.0039320600000000, -0.0003584000000000, -0.0004256100000000 ] - [ -0.0036876400000000, 0.0000273000000000, 0.0005095800000000 ] - [ -0.0002013100000000, -0.0001986500000000, 0.0001597800000000 ] - [ -0.0003063500000000, -0.0001228600000000, 0.0002475500000000 ] - [ -0.0001947300000000, -0.0001240200000000, 0.0002194900000000 ] - [ -0.0002085600000000, -0.0002062100000000, 0.0001658000000000 ] - [ -0.0002403200000000, -0.0001929700000000, 0.0001947300000000 ] - [ -0.0001937000000000, -0.0002185500000000, 0.0001938300000000 ] - [ -0.0002147100000000, -0.0002024300000000, 0.0001607000000000 ] - [ 0.0006100000000000, -0.0000530100000000, 0.0001673800000000 ] - [ 0.0009993400000000, -0.0001075000000000, 0.0000557200000000 ] - [ 0.0007166200000000, -0.0001871400000000, 0.0000094400000000 ] - [ 0.0006819800000000, -0.0001838700000000, 0.0000496600000000 ] - [ 0.0007483000000000, -0.0001773500000000, 0.0000191500000000 ] - [ 0.0007226400000000, -0.0001835400000000, 0.0000144100000000 ] - [ 0.0002519800000000, -0.0003850800000000, 0.0004005500000000 ] - [ 0.0010180000000000, -0.0002033600000000, 0.0000634500000000 ] - [ 0.0006840200000000, -0.0001733800000000, 0.0000240100000000 ] - [ -0.0004124500000000, 0.0002147100000000, -0.0008359000000000 ] - [ -0.0010849000000000, 0.0001690300000000, 0.0001139800000000 ] - [ -0.0007925600000000, 0.0001872200000000, -0.0000681300000000 ] - [ -0.0006986900000000, 0.0001837000000000, -0.0000510900000000 ] - [ -0.0007549900000000, 0.0001851800000000, -0.0000007600000000 ] - [ -0.0007440000000000, 0.0001856800000000, -0.0000241700000000 ] - [ -0.0006924300000000, 0.0001870600000000, -0.0000505400000000 ] - [ -0.0007427100000000, 0.0001985000000000, -0.0000101900000000 ] - [ -0.0007511000000000, 0.0001797700000000, -0.0000325300000000 ] - [ -0.0007373600000000, -0.0011407300000000, 0.0000372000000000 ] - [ -0.0006207100000000, -0.0001572000000000, -0.0000413300000000 ] - [ -0.0007275700000000, -0.0001871200000000, -0.0000092300000000 ] - [ -0.0007384300000000, -0.0001817200000000, 0.0000225100000000 ] - [ -0.0007147300000000, -0.0001770900000000, -0.0000216900000000 ] - [ -0.0007338200000000, -0.0001825200000000, -0.0000101800000000 ] - [ -0.0009460600000000, 0.0008852100000000, 0.0001685100000000 ] - [ -0.0005191900000000, -0.0001886300000000, -0.0001895500000000 ] - [ -0.0007210200000000, -0.0001723300000000, -0.0000091900000000 ] - [ 0.0016022600000000, 0.0003108500000000, -0.0011618600000000 ] - [ 0.0008495500000000, 0.0000700200000000, 0.0029812800000000 ] - [ 0.0006633200000000, 0.0002053400000000, -0.0000040500000000 ] - [ 0.0008123200000000, 0.0001374300000000, -0.0000248600000000 ] - [ 0.0007237500000000, 0.0001273500000000, -0.0000116400000000 ] - [ 0.0007276300000000, 0.0001846900000000, 0.0000041200000000 ] - [ 0.0007754400000000, 0.0002042300000000, -0.0000391800000000 ] - [ 0.0007214900000000, 0.0002409300000000, 0.0000024700000000 ] - [ 0.0007188700000000, 0.0001944200000000, -0.0000013400000000 ] - [ -0.0026153800000000, 0.0001003500000000, 0.0017995300000000 ] - [ 0.0005583800000000, -0.0000182800000000, -0.0017282500000000 ] - [ -0.0008074800000000, 0.0002827700000000, -0.0002797200000000 ] - [ -0.0008522300000000, 0.0004966500000000, -0.0003162700000000 ] - [ -0.0008283700000000, 0.0003223700000000, -0.0003583700000000 ] - [ -0.0008182500000000, 0.0003173300000000, -0.0002949500000000 ] - [ -0.0008600200000000, 0.0002235000000000, -0.0002905600000000 ] - [ -0.0008004600000000, 0.0002677800000000, -0.0003481100000000 ] - [ -0.0008049200000000, 0.0003116600000000, -0.0002857900000000 ] - [ 0.0008499900000000, 0.0000290700000000, -0.0002207300000000 ] - [ 0.0006818700000000, -0.0005308800000000, -0.0000393200000000 ] - [ 0.0007984300000000, -0.0003213600000000, 0.0002839600000000 ] - [ 0.0008395400000000, -0.0003259500000000, 0.0002084500000000 ] - [ 0.0007789600000000, -0.0003427100000000, 0.0002523000000000 ] - [ 0.0008121700000000, -0.0003230200000000, 0.0002871300000000 ] - [ 0.0009481100000000, -0.0012824600000000, -0.0006746700000000 ] - [ 0.0004593300000000, 0.0002421800000000, 0.0000151700000000 ] - [ 0.0008061000000000, -0.0003324700000000, 0.0002630700000000 ] - [ 0.0005373400000000, 0.0002536500000000, 0.0030568600000000 ] - [ 0.0010065500000000, 0.0001237100000000, 0.0022234400000000 ] - [ 0.0008687500000000, 0.0003191000000000, 0.0003642600000000 ] - [ 0.0007837700000000, 0.0002947800000000, 0.0004584000000000 ] - [ 0.0008501800000000, 0.0003374900000000, 0.0003702900000000 ] - [ 0.0008222900000000, 0.0003248900000000, 0.0003196700000000 ] - [ 0.0007790800000000, 0.0003660000000000, 0.0004284600000000 ] - [ 0.0008193100000000, 0.0002743800000000, 0.0003504700000000 ] - [ 0.0008292300000000, 0.0003172200000000, 0.0003255100000000 ] - [ -0.0006753400000000, -0.0010111900000000, -0.0001904400000000 ] - [ -0.0009958800000000, -0.0003026100000000, -0.0001201500000000 ] - [ -0.0007791000000000, -0.0003240200000000, -0.0002894600000000 ] - [ -0.0007336000000000, -0.0003359000000000, -0.0003270700000000 ] - [ -0.0008219700000000, -0.0003379600000000, -0.0002562400000000 ] - [ -0.0008041100000000, -0.0003180300000000, -0.0002971300000000 ] - [ -0.0002649700000000, 0.0014625800000000, -0.0006908200000000 ] - [ -0.0009834400000000, -0.0006356600000000, 0.0000244600000000 ] - [ -0.0007505400000000, -0.0003421500000000, -0.0002937600000000 ]- atom: 1 displacement: [ 0.0037270334771818, 0.0000000000000000, -0.0092795054534154 ] forces: - [ -0.0070214500000000, 0.0005171000000000, 0.0119114400000000 ] - [ -0.0000095800000000, -0.0006505100000000, 0.0004798700000000 ] - [ -0.0000119100000000, -0.0006453800000000, 0.0004788700000000 ] - [ -0.0000328100000000, -0.0006336700000000, 0.0005105700000000 ] - [ -0.0000382200000000, -0.0006200300000000, 0.0005022800000000 ] - [ -0.0000463000000000, -0.0006309500000000, 0.0005000600000000 ] - [ -0.0000284500000000, -0.0006302500000000, 0.0005122500000000 ] - [ -0.0000441600000000, -0.0006273700000000, 0.0005011100000000 ] - [ -0.0000451800000000, -0.0006240100000000, 0.0004994100000000 ] - [ 0.0000623200000000, 0.0006325100000000, -0.0005015700000000 ] - [ -0.0002360500000000, -0.0004210200000000, -0.0010603500000000 ] - [ 0.0000287000000000, 0.0006113100000000, -0.0004821800000000 ] - [ 0.0000454400000000, 0.0006235900000000, -0.0004950600000000 ] - [ 0.0000474500000000, 0.0006295100000000, -0.0004783500000000 ] - [ 0.0000374500000000, 0.0006307400000000, -0.0004908800000000 ] - [ 0.0000948600000000, 0.0006579000000000, -0.0005184700000000 ] - [ -0.0001122300000000, 0.0013534800000000, -0.0007775700000000 ] - [ 0.0000089200000000, 0.0006391300000000, -0.0004977000000000 ] - [ -0.0004417800000000, -0.0006068500000000, -0.0005702400000000 ] - [ 0.0012543300000000, -0.0006919400000000, -0.0014657300000000 ] - [ 0.0000173800000000, -0.0006373500000000, -0.0005082200000000 ] - [ 0.0000204400000000, -0.0006143600000000, -0.0004917800000000 ] - [ 0.0000549600000000, -0.0006094800000000, -0.0004999500000000 ] - [ 0.0000468000000000, -0.0006292900000000, -0.0004942800000000 ] - [ 0.0000214200000000, -0.0006767900000000, -0.0004915100000000 ] - [ 0.0000675700000000, -0.0006482700000000, -0.0004949400000000 ] - [ 0.0000392000000000, -0.0006281400000000, -0.0004972500000000 ] - [ 0.0000026800000000, 0.0006293600000000, 0.0004123200000000 ] - [ -0.0000637000000000, 0.0005824700000000, 0.0004653700000000 ] - [ -0.0000670300000000, 0.0006376700000000, 0.0004638400000000 ] - [ -0.0000274700000000, 0.0006291400000000, 0.0004801900000000 ] - [ -0.0000499300000000, 0.0006320200000000, 0.0004827200000000 ] - [ -0.0000504300000000, 0.0006296900000000, 0.0004825100000000 ] - [ 0.0000557600000000, 0.0006168100000000, 0.0003741700000000 ] - [ -0.0000758700000000, 0.0006643200000000, 0.0004528200000000 ] - [ -0.0000939100000000, 0.0006271700000000, 0.0004453300000000 ] - [ -0.0002082000000000, 0.0001944000000000, 0.0002067300000000 ] - [ -0.0002003200000000, 0.0002545600000000, 0.0002932700000000 ] - [ -0.0002022600000000, 0.0002114600000000, 0.0001769800000000 ] - [ -0.0002182000000000, 0.0002139000000000, 0.0001838300000000 ] - [ -0.0002103800000000, 0.0001763200000000, 0.0001815700000000 ] - [ -0.0002072100000000, 0.0002048900000000, 0.0001693100000000 ] - [ -0.0002091700000000, 0.0004503900000000, 0.0002892900000000 ] - [ -0.0002138900000000, 0.0000825800000000, 0.0004405300000000 ] - [ -0.0001862300000000, 0.0002017200000000, 0.0001885100000000 ] - [ 0.0001429200000000, -0.0001728900000000, -0.0047904100000000 ] - [ 0.0002638500000000, -0.0004553800000000, 0.0004175300000000 ] - [ 0.0002640800000000, -0.0002182700000000, -0.0001462700000000 ] - [ 0.0002634400000000, -0.0003629000000000, -0.0001598400000000 ] - [ 0.0001766300000000, -0.0002637000000000, -0.0001061600000000 ] - [ 0.0002301600000000, -0.0002093500000000, -0.0001510500000000 ] - [ 0.0002505100000000, -0.0001380000000000, -0.0001494200000000 ] - [ 0.0002090800000000, -0.0002157700000000, -0.0001383700000000 ] - [ 0.0002271800000000, -0.0001993500000000, -0.0001529400000000 ] - [ 0.0001199800000000, 0.0005034200000000, -0.0003233600000000 ] - [ 0.0002512100000000, 0.0002801200000000, -0.0003039000000000 ] - [ 0.0002108100000000, 0.0002063000000000, -0.0001664400000000 ] - [ 0.0001959200000000, 0.0001652000000000, -0.0001940900000000 ] - [ 0.0002115700000000, 0.0001638300000000, -0.0001914000000000 ] - [ 0.0002154300000000, 0.0001961800000000, -0.0001653700000000 ] - [ -0.0001516600000000, -0.0001931900000000, -0.0002808300000000 ] - [ 0.0003588300000000, -0.0000589600000000, -0.0005003400000000 ] - [ 0.0002103700000000, 0.0001663000000000, -0.0001657300000000 ] - [ 0.0034672500000000, -0.0000628400000000, 0.0007301800000000 ] - [ 0.0032762700000000, -0.0004441700000000, -0.0001620500000000 ] - [ -0.0002283200000000, -0.0002100500000000, 0.0001662800000000 ] - [ -0.0001248200000000, -0.0002838500000000, 0.0000792300000000 ] - [ -0.0002349800000000, -0.0002837400000000, 0.0001053500000000 ] - [ -0.0002216700000000, -0.0002033600000000, 0.0001607700000000 ] - [ -0.0001898100000000, -0.0002165300000000, 0.0001304200000000 ] - [ -0.0002362400000000, -0.0001900200000000, 0.0001309700000000 ] - [ -0.0002144400000000, -0.0002071900000000, 0.0001650900000000 ] - [ 0.0008541300000000, -0.0003157300000000, -0.0001398800000000 ] - [ 0.0004610800000000, -0.0002617700000000, -0.0000286900000000 ] - [ 0.0007473600000000, -0.0001807100000000, 0.0000196800000000 ] - [ 0.0007827400000000, -0.0001843200000000, -0.0000217900000000 ] - [ 0.0007155300000000, -0.0001907900000000, 0.0000084200000000 ] - [ 0.0007412400000000, -0.0001843100000000, 0.0000144300000000 ] - [ 0.0012160600000000, 0.0000187300000000, -0.0003730600000000 ] - [ 0.0004424800000000, -0.0001647900000000, -0.0000364100000000 ] - [ 0.0007803600000000, -0.0001961200000000, 0.0000047000000000 ] - [ -0.0010498700000000, 0.0001538400000000, 0.0008045200000000 ] - [ -0.0003764000000000, 0.0001998100000000, -0.0001418100000000 ] - [ -0.0006714300000000, 0.0001806400000000, 0.0000399400000000 ] - [ -0.0007654600000000, 0.0001849600000000, 0.0000226600000000 ] - [ -0.0007105200000000, 0.0001833600000000, -0.0000287400000000 ] - [ -0.0007195500000000, 0.0001834900000000, -0.0000045700000000 ] - [ -0.0007719600000000, 0.0001812600000000, 0.0000221200000000 ] - [ -0.0007223100000000, 0.0001695100000000, -0.0000179000000000 ] - [ -0.0007130600000000, 0.0001885500000000, 0.0000040300000000 ] - [ -0.0007282400000000, 0.0007373300000000, -0.0000587900000000 ] - [ -0.0008436800000000, -0.0002102200000000, 0.0000117700000000 ] - [ -0.0007367600000000, -0.0001804800000000, -0.0000184400000000 ] - [ -0.0007256500000000, -0.0001864400000000, -0.0000513400000000 ] - [ -0.0007495400000000, -0.0001910100000000, -0.0000077500000000 ] - [ -0.0007308400000000, -0.0001850100000000, -0.0000181800000000 ] - [ -0.0005156700000000, -0.0012081200000000, -0.0001899100000000 ] - [ -0.0009432100000000, -0.0001821000000000, 0.0001607500000000 ] - [ -0.0007443600000000, -0.0001970000000000, -0.0000192300000000 ] - [ -0.0001259200000000, 0.0000580600000000, 0.0011827700000000 ] - [ 0.0006602000000000, 0.0002860800000000, -0.0028140500000000 ] - [ 0.0008013800000000, 0.0001626100000000, 0.0000330100000000 ] - [ 0.0006530300000000, 0.0002308700000000, 0.0000530900000000 ] - [ 0.0007398100000000, 0.0002408900000000, 0.0000397200000000 ] - [ 0.0007375900000000, 0.0001839100000000, 0.0000244900000000 ] - [ 0.0006888600000000, 0.0001642500000000, 0.0000678100000000 ] - [ 0.0007414000000000, 0.0001274800000000, 0.0000258100000000 ] - [ 0.0007451900000000, 0.0001734700000000, 0.0000296100000000 ] - [ 0.0009662300000000, 0.0005357600000000, -0.0023835200000000 ] - [ -0.0021794600000000, 0.0006574600000000, 0.0011321900000000 ] - [ -0.0008163900000000, 0.0003579600000000, -0.0003168900000000 ] - [ -0.0007717900000000, 0.0001460800000000, -0.0002807300000000 ] - [ -0.0007947600000000, 0.0003188500000000, -0.0002370700000000 ] - [ -0.0008052900000000, 0.0003240000000000, -0.0003002900000000 ] - [ -0.0007635200000000, 0.0004171800000000, -0.0003053200000000 ] - [ -0.0008223500000000, 0.0003733800000000, -0.0002477100000000 ] - [ -0.0008185200000000, 0.0003294900000000, -0.0003098300000000 ] - [ 0.0007789500000000, -0.0006727400000000, 0.0008118400000000 ] - [ 0.0009411700000000, -0.0001113100000000, 0.0006378500000000 ] - [ 0.0008250000000000, -0.0003199900000000, 0.0003110200000000 ] - [ 0.0007832100000000, -0.0003156000000000, 0.0003876900000000 ] - [ 0.0008439300000000, -0.0002988000000000, 0.0003439500000000 ] - [ 0.0008112200000000, -0.0003180600000000, 0.0003085900000000 ] - [ 0.0006737400000000, 0.0006454900000000, 0.0012657900000000 ] - [ 0.0011644300000000, -0.0008785900000000, 0.0005821400000000 ] - [ 0.0008174500000000, -0.0003092700000000, 0.0003321700000000 ] - [ 0.0010834200000000, 0.0003871900000000, -0.0024466700000000 ] - [ 0.0006145600000000, 0.0005202400000000, -0.0016397300000000 ] - [ 0.0007539200000000, 0.0003220500000000, 0.0002326100000000 ] - [ 0.0008389600000000, 0.0003461900000000, 0.0001379700000000 ] - [ 0.0007730100000000, 0.0003040200000000, 0.0002257600000000 ] - [ 0.0008005400000000, 0.0003162300000000, 0.0002768300000000 ] - [ 0.0008435500000000, 0.0002755300000000, 0.0001668000000000 ] - [ 0.0008040000000000, 0.0003668000000000, 0.0002460900000000 ] - [ 0.0007937200000000, 0.0003238700000000, 0.0002710500000000 ] - [ -0.0009493700000000, 0.0003741000000000, -0.0003999300000000 ] - [ -0.0006249900000000, -0.0003392300000000, -0.0004741200000000 ] - [ -0.0008438200000000, -0.0003172000000000, -0.0003065900000000 ] - [ -0.0008897100000000, -0.0003052900000000, -0.0002681300000000 ] - [ -0.0008010500000000, -0.0003031900000000, -0.0003386600000000 ] - [ -0.0008188500000000, -0.0003233200000000, -0.0002987200000000 ] - [ -0.0013617700000000, -0.0021191200000000, 0.0000977000000000 ] - [ -0.0006374900000000, -0.0000014000000000, -0.0006188000000000 ] - [ -0.0008728200000000, -0.0002992200000000, -0.0003011500000000 ]- atom: 37 displacement: [ 0.0099999580557189, 0.0000000000000000, 0.0000289634918988 ] forces: - [ -0.0000432700000000, -0.0004801000000000, 0.0004840000000000 ] - [ -0.0000950800000000, -0.0006083500000000, 0.0004571000000000 ] - [ -0.0000070700000000, -0.0006497200000000, 0.0004904300000000 ] - [ -0.0001084600000000, -0.0007415700000000, 0.0004585900000000 ] - [ -0.0001306300000000, -0.0006469500000000, 0.0004260800000000 ] - [ 0.0000694600000000, -0.0006026300000000, 0.0005340500000000 ] - [ -0.0000377300000000, -0.0006380700000000, 0.0004975600000000 ] - [ -0.0000747100000000, -0.0006339900000000, 0.0004713000000000 ] - [ -0.0000186300000000, -0.0006367100000000, 0.0004961600000000 ] - [ 0.0001024600000000, 0.0006961000000000, -0.0003750800000000 ] - [ -0.0000395300000000, 0.0006568300000000, -0.0005771100000000 ] - [ -0.0000844800000000, 0.0006069200000000, -0.0005951500000000 ] - [ 0.0001008400000000, 0.0006082700000000, -0.0005205000000000 ] - [ 0.0000170800000000, 0.0005809600000000, -0.0004608200000000 ] - [ -0.0000080200000000, 0.0006698400000000, -0.0005281400000000 ] - [ 0.0000690500000000, 0.0006291800000000, -0.0005184900000000 ] - [ 0.0000528100000000, 0.0006359600000000, -0.0004816100000000 ] - [ 0.0000014700000000, 0.0006181700000000, -0.0005206700000000 ] - [ 0.0000808700000000, -0.0006586300000000, -0.0003735500000000 ] - [ 0.0000170100000000, -0.0005111000000000, -0.0005411400000000 ] - [ -0.0000134600000000, -0.0006434400000000, -0.0005099900000000 ] - [ 0.0000620600000000, -0.0004374700000000, -0.0000868800000000 ] - [ -0.0000556300000000, -0.0007025200000000, -0.0006867400000000 ] - [ -0.0000612700000000, -0.0006042100000000, -0.0005279800000000 ] - [ 0.0000604700000000, -0.0006346000000000, -0.0004630800000000 ] - [ 0.0000577100000000, -0.0006398400000000, -0.0004815900000000 ] - [ 0.0000072800000000, -0.0006358000000000, -0.0005057000000000 ] - [ 0.0097606000000000, -0.0001277600000000, 0.0003553100000000 ] - [ -0.0002079300000000, 0.0006506300000000, 0.0004401000000000 ] - [ 0.0096697800000000, 0.0014615900000000, 0.0007127300000000 ] - [ 0.0000615100000000, 0.0003450700000000, 0.0004360300000000 ] - [ -0.0001030800000000, 0.0006239200000000, 0.0004743600000000 ] - [ -0.0000125800000000, 0.0007492400000000, 0.0005261400000000 ] - [ 0.0000151300000000, 0.0006819000000000, 0.0004883700000000 ] - [ -0.0000917600000000, 0.0006285600000000, 0.0004719300000000 ] - [ -0.0000396600000000, 0.0006019900000000, 0.0005158900000000 ] - [ -0.0322757400000000, -0.0088437800000000, -0.0026043500000000 ] - [ 0.0002904700000000, 0.0004003600000000, 0.0002808100000000 ] - [ 0.0002881800000000, 0.0003048600000000, 0.0000457200000000 ] - [ -0.0003488800000000, 0.0004334400000000, 0.0001105500000000 ] - [ -0.0001635100000000, 0.0003175500000000, 0.0001997200000000 ] - [ -0.0001855500000000, 0.0001584100000000, 0.0001362000000000 ] - [ -0.0003470800000000, 0.0007484600000000, 0.0000814000000000 ] - [ -0.0001867600000000, 0.0001756600000000, 0.0001843800000000 ] - [ -0.0001627600000000, 0.0003269100000000, 0.0001317700000000 ] - [ 0.0001139300000000, -0.0002637900000000, -0.0001849200000000 ] - [ 0.0002420200000000, -0.0002336900000000, -0.0001398700000000 ] - [ 0.0002110900000000, -0.0001721900000000, -0.0001940400000000 ] - [ -0.0003363500000000, 0.0007718000000000, 0.0010601600000000 ] - [ 0.0003252800000000, -0.0001347200000000, -0.0001050100000000 ] - [ 0.0001492100000000, -0.0001822600000000, -0.0003249200000000 ] - [ 0.0001951500000000, -0.0001407700000000, -0.0001874600000000 ] - [ 0.0002300700000000, -0.0001661400000000, -0.0001505900000000 ] - [ 0.0002128600000000, -0.0002089000000000, -0.0001780700000000 ] - [ 0.0000186800000000, -0.0002713500000000, -0.0015917700000000 ] - [ 0.0003206600000000, 0.0002608700000000, 0.0000058700000000 ] - [ 0.0003201100000000, 0.0001025900000000, 0.0004283300000000 ] - [ 0.0001715500000000, 0.0003203800000000, -0.0002323000000000 ] - [ 0.0002386900000000, 0.0002236200000000, -0.0001272100000000 ] - [ 0.0002223700000000, 0.0001708600000000, -0.0001275500000000 ] - [ 0.0001717700000000, 0.0001962700000000, -0.0001942500000000 ] - [ 0.0002380700000000, 0.0001815300000000, -0.0001449100000000 ] - [ 0.0002218900000000, 0.0002542300000000, -0.0001125300000000 ] - [ -0.0002641300000000, -0.0002710400000000, 0.0000838100000000 ] - [ -0.0001940400000000, -0.0002469700000000, 0.0001903600000000 ] - [ -0.0001938000000000, -0.0001643000000000, 0.0002403600000000 ] - [ -0.0003744300000000, -0.0002481700000000, -0.0001464800000000 ] - [ -0.0001612900000000, -0.0001812500000000, 0.0002304200000000 ] - [ -0.0001615700000000, -0.0002019900000000, 0.0003988700000000 ] - [ -0.0002341100000000, -0.0001507300000000, 0.0001546500000000 ] - [ -0.0002066400000000, -0.0001853200000000, 0.0001767800000000 ] - [ -0.0002058600000000, -0.0002099200000000, 0.0001864700000000 ] - [ -0.0007539600000000, 0.0000418200000000, -0.0032752200000000 ] - [ 0.0008745200000000, -0.0001733200000000, 0.0004250900000000 ] - [ 0.0006342400000000, -0.0001449000000000, 0.0002283200000000 ] - [ 0.0007029200000000, -0.0001771200000000, -0.0000827600000000 ] - [ 0.0007719700000000, -0.0001369700000000, 0.0001016400000000 ] - [ 0.0007553000000000, -0.0001896600000000, 0.0000404100000000 ] - [ 0.0006959900000000, -0.0001871200000000, -0.0000460700000000 ] - [ 0.0007365000000000, -0.0001955000000000, 0.0000272000000000 ] - [ 0.0007575000000000, -0.0001681000000000, 0.0000504800000000 ] - [ -0.0008489400000000, -0.0003991000000000, -0.0002495900000000 ] - [ -0.0006596000000000, 0.0001746800000000, 0.0000102700000000 ] - [ -0.0005812800000000, 0.0004165400000000, 0.0000910000000000 ] - [ 0.0005078800000000, 0.0052781700000000, -0.0008519100000000 ] - [ -0.0005321100000000, 0.0002653100000000, 0.0000733400000000 ] - [ 0.0003406800000000, -0.0001337100000000, 0.0002554000000000 ] - [ -0.0009028300000000, 0.0002319400000000, 0.0000210100000000 ] - [ -0.0006776300000000, 0.0002082700000000, -0.0000015900000000 ] - [ -0.0007416200000000, 0.0001775300000000, -0.0000100400000000 ] - [ -0.0012366000000000, 0.0000380400000000, 0.0020261200000000 ] - [ -0.0006117700000000, -0.0001897500000000, 0.0001296400000000 ] - [ -0.0007521100000000, -0.0001780600000000, -0.0000676400000000 ] - [ -0.0007550700000000, -0.0001140100000000, -0.0000834800000000 ] - [ -0.0006936500000000, -0.0001804500000000, 0.0000342000000000 ] - [ -0.0007516100000000, -0.0001840700000000, -0.0000419800000000 ] - [ -0.0007319200000000, -0.0001929500000000, -0.0000855100000000 ] - [ -0.0006965900000000, -0.0001922400000000, 0.0000126400000000 ] - [ -0.0007441600000000, -0.0001727000000000, -0.0000339700000000 ] - [ 0.0005109100000000, 0.0002177900000000, 0.0000351600000000 ] - [ 0.0007881800000000, 0.0001439500000000, 0.0000433200000000 ] - [ 0.0007931900000000, 0.0001992700000000, 0.0000627400000000 ] - [ 0.0004357800000000, 0.0004834200000000, -0.0002397100000000 ] - [ 0.0008504000000000, 0.0002287300000000, 0.0000341900000000 ] - [ 0.0008754700000000, 0.0001478700000000, 0.0000893200000000 ] - [ 0.0006659800000000, 0.0001978500000000, 0.0000479900000000 ] - [ 0.0007400900000000, 0.0001923200000000, 0.0000100400000000 ] - [ 0.0007650800000000, 0.0001816700000000, 0.0000351700000000 ] - [ -0.0006173800000000, 0.0003960800000000, -0.0000188500000000 ] - [ -0.0008823400000000, 0.0003433000000000, -0.0003410100000000 ] - [ -0.0008384600000000, 0.0002386000000000, -0.0005290300000000 ] - [ -0.0008598900000000, 0.0005787000000000, 0.0007760400000000 ] - [ -0.0009425000000000, 0.0002382900000000, -0.0003936300000000 ] - [ -0.0008867600000000, 0.0005040800000000, -0.0008798300000000 ] - [ -0.0007351100000000, 0.0002513500000000, -0.0004052700000000 ] - [ -0.0008238700000000, 0.0003064600000000, -0.0003231100000000 ] - [ -0.0008395000000000, 0.0003232500000000, -0.0003024200000000 ] - [ 0.0020335500000000, 0.0002701300000000, 0.0022091000000000 ] - [ 0.0007030900000000, -0.0003554300000000, -0.0000754600000000 ] - [ 0.0008260400000000, -0.0003965800000000, -0.0002774300000000 ] - [ 0.0008482600000000, -0.0003716400000000, 0.0004167400000000 ] - [ 0.0007930600000000, -0.0003497700000000, 0.0002209800000000 ] - [ 0.0008093700000000, -0.0003022100000000, 0.0002202000000000 ] - [ 0.0007889600000000, -0.0002853000000000, 0.0003490700000000 ] - [ 0.0007956000000000, -0.0002951600000000, 0.0003002100000000 ] - [ 0.0008118600000000, -0.0003606900000000, 0.0002161300000000 ] - [ 0.0017932200000000, -0.0003204900000000, 0.0003365800000000 ] - [ 0.0007533100000000, 0.0003673100000000, 0.0002807600000000 ] - [ 0.0005944100000000, 0.0002109100000000, 0.0003343700000000 ] - [ 0.0075687100000000, 0.0036628800000000, -0.0000176800000000 ] - [ 0.0007467100000000, 0.0001236000000000, 0.0003392800000000 ] - [ 0.0003204500000000, -0.0000350400000000, 0.0004882300000000 ] - [ 0.0010032600000000, 0.0000326600000000, 0.0002532300000000 ] - [ 0.0007989800000000, 0.0002403900000000, 0.0003341900000000 ] - [ 0.0008223900000000, 0.0003233600000000, 0.0002757900000000 ] - [ 0.0033603900000000, -0.0010873300000000, 0.0015740100000000 ] - [ -0.0010000600000000, -0.0003518400000000, -0.0004661000000000 ] - [ -0.0005948700000000, -0.0003847800000000, 0.0000752800000000 ] - [ -0.0007813800000000, -0.0004276500000000, -0.0000998200000000 ] - [ -0.0008651700000000, -0.0003570100000000, -0.0003752500000000 ] - [ -0.0008097900000000, -0.0003025900000000, -0.0002057700000000 ] - [ -0.0007503600000000, -0.0003626100000000, -0.0001101500000000 ] - [ -0.0008190300000000, -0.0003056400000000, -0.0003490500000000 ] - [ -0.0008084600000000, -0.0003572300000000, -0.0002078500000000 ]- atom: 37 displacement: [ -0.0099999580557189, 0.0000000000000000, -0.0000289634918988 ] forces: - [ -0.0000418800000000, -0.0007816700000000, 0.0004995400000000 ] - [ 0.0000101500000000, -0.0006511800000000, 0.0005270400000000 ] - [ -0.0000778700000000, -0.0006093900000000, 0.0004941500000000 ] - [ 0.0000238400000000, -0.0005154800000000, 0.0005268300000000 ] - [ 0.0000458300000000, -0.0006122900000000, 0.0005580600000000 ] - [ -0.0001556100000000, -0.0006566900000000, 0.0004491800000000 ] - [ -0.0000471800000000, -0.0006202100000000, 0.0004865700000000 ] - [ -0.0000105000000000, -0.0006250300000000, 0.0005127700000000 ] - [ -0.0000667700000000, -0.0006221000000000, 0.0004875700000000 ] - [ -0.0000142900000000, 0.0005625500000000, -0.0005806900000000 ] - [ 0.0001261000000000, 0.0006014300000000, -0.0004035000000000 ] - [ 0.0001702900000000, 0.0006519600000000, -0.0003880100000000 ] - [ -0.0000159500000000, 0.0006517400000000, -0.0004641000000000 ] - [ 0.0000685400000000, 0.0006783600000000, -0.0005226100000000 ] - [ 0.0000935300000000, 0.0005893500000000, -0.0004553800000000 ] - [ 0.0000162700000000, 0.0006310800000000, -0.0004640000000000 ] - [ 0.0000323200000000, 0.0006234300000000, -0.0005022900000000 ] - [ 0.0000839700000000, 0.0006412800000000, -0.0004629700000000 ] - [ 0.0000054100000000, -0.0006000600000000, -0.0006116900000000 ] - [ 0.0000686500000000, -0.0007486800000000, -0.0004430500000000 ] - [ 0.0000990100000000, -0.0006157000000000, -0.0004738300000000 ] - [ 0.0000214400000000, -0.0008242800000000, -0.0008993400000000 ] - [ 0.0001432200000000, -0.0005570100000000, -0.0002968500000000 ] - [ 0.0001472200000000, -0.0006552200000000, -0.0004557300000000 ] - [ 0.0000244000000000, -0.0006236100000000, -0.0005207500000000 ] - [ 0.0000280000000000, -0.0006189900000000, -0.0005017900000000 ] - [ 0.0000782200000000, -0.0006232400000000, -0.0004780300000000 ] - [ -0.0094496900000000, 0.0013305300000000, 0.0006193600000000 ] - [ 0.0001229900000000, 0.0006083100000000, 0.0005441100000000 ] - [ -0.0101358200000000, -0.0002649600000000, 0.0002629100000000 ] - [ -0.0001458300000000, 0.0009152900000000, 0.0005481200000000 ] - [ 0.0000181200000000, 0.0006353900000000, 0.0005097100000000 ] - [ -0.0000743000000000, 0.0005106700000000, 0.0004575100000000 ] - [ -0.0001019500000000, 0.0005782700000000, 0.0004956200000000 ] - [ 0.0000068200000000, 0.0006309900000000, 0.0005120200000000 ] - [ -0.0000441200000000, 0.0006576100000000, 0.0004680400000000 ] - [ 0.0319190800000000, 0.0095481400000000, 0.0030078600000000 ] - [ -0.0007175700000000, 0.0000132900000000, 0.0000435900000000 ] - [ -0.0007208900000000, 0.0001048100000000, 0.0002807700000000 ] - [ -0.0000823500000000, -0.0000336600000000, 0.0002139600000000 ] - [ -0.0002669500000000, 0.0000921100000000, 0.0001254100000000 ] - [ -0.0002436600000000, 0.0002516500000000, 0.0001887700000000 ] - [ -0.0000805200000000, -0.0003554100000000, 0.0002487300000000 ] - [ -0.0002436400000000, 0.0002330500000000, 0.0001411200000000 ] - [ -0.0002669100000000, 0.0000815200000000, 0.0001931400000000 ] - [ 0.0003166700000000, -0.0001429000000000, -0.0001358900000000 ] - [ 0.0001881600000000, -0.0001757800000000, -0.0001858300000000 ] - [ 0.0002188900000000, -0.0002366200000000, -0.0001301600000000 ] - [ 0.0007547400000000, -0.0011868500000000, -0.0014079000000000 ] - [ 0.0001046200000000, -0.0002745300000000, -0.0002209300000000 ] - [ 0.0002822000000000, -0.0002264400000000, 0.0000008100000000 ] - [ 0.0002349100000000, -0.0002695000000000, -0.0001388700000000 ] - [ 0.0001999000000000, -0.0002441400000000, -0.0001752700000000 ] - [ 0.0002175500000000, -0.0002003700000000, -0.0001470800000000 ] - [ 0.0004132900000000, 0.0006836900000000, 0.0012708700000000 ] - [ 0.0001089900000000, 0.0001500300000000, -0.0003321000000000 ] - [ 0.0001109400000000, 0.0003070500000000, -0.0007527000000000 ] - [ 0.0002588400000000, 0.0000882100000000, -0.0000934600000000 ] - [ 0.0001913400000000, 0.0001855200000000, -0.0001985600000000 ] - [ 0.0002083900000000, 0.0002383300000000, -0.0001978800000000 ] - [ 0.0002594100000000, 0.0002127700000000, -0.0001300700000000 ] - [ 0.0001911800000000, 0.0002275600000000, -0.0001798200000000 ] - [ 0.0002080900000000, 0.0001547000000000, -0.0002129600000000 ] - [ -0.0001654100000000, -0.0001373200000000, 0.0002409100000000 ] - [ -0.0002364200000000, -0.0001617900000000, 0.0001354900000000 ] - [ -0.0002360500000000, -0.0002451400000000, 0.0000848600000000 ] - [ -0.0000535500000000, -0.0001621900000000, 0.0004736300000000 ] - [ -0.0002696400000000, -0.0002268700000000, 0.0000931600000000 ] - [ -0.0002686100000000, -0.0002075900000000, -0.0000734300000000 ] - [ -0.0001957400000000, -0.0002591500000000, 0.0001697700000000 ] - [ -0.0002233300000000, -0.0002235900000000, 0.0001478700000000 ] - [ -0.0002232100000000, -0.0001997600000000, 0.0001392200000000 ] - [ 0.0022106900000000, -0.0004076100000000, 0.0033238800000000 ] - [ 0.0005899200000000, -0.0001936800000000, -0.0003939900000000 ] - [ 0.0008295200000000, -0.0002229200000000, -0.0001983200000000 ] - [ 0.0007617000000000, -0.0001917700000000, 0.0001101200000000 ] - [ 0.0006918000000000, -0.0002313900000000, -0.0000742200000000 ] - [ 0.0007088200000000, -0.0001782400000000, -0.0000115100000000 ] - [ 0.0007680300000000, -0.0001821100000000, 0.0000756200000000 ] - [ 0.0007280500000000, -0.0001731100000000, 0.0000007100000000 ] - [ 0.0007071500000000, -0.0002013900000000, -0.0000219800000000 ] - [ -0.0006093100000000, 0.0007754200000000, 0.0002216700000000 ] - [ -0.0008042100000000, 0.0001936100000000, -0.0000391400000000 ] - [ -0.0008825800000000, -0.0000494200000000, -0.0001200300000000 ] - [ -0.0019565900000000, -0.0048726400000000, 0.0008183300000000 ] - [ -0.0009348300000000, 0.0001040000000000, -0.0001036300000000 ] - [ -0.0018117900000000, 0.0005011200000000, -0.0002850700000000 ] - [ -0.0005641100000000, 0.0001359800000000, -0.0000491700000000 ] - [ -0.0007873100000000, 0.0001596600000000, -0.0000264900000000 ] - [ -0.0007218100000000, 0.0001903800000000, -0.0000182200000000 ] - [ -0.0002173600000000, -0.0004106100000000, -0.0020816700000000 ] - [ -0.0008539500000000, -0.0001780200000000, -0.0001581000000000 ] - [ -0.0007115700000000, -0.0001893400000000, 0.0000400100000000 ] - [ -0.0007091000000000, -0.0002551000000000, 0.0000544000000000 ] - [ -0.0007706000000000, -0.0001877700000000, -0.0000635300000000 ] - [ -0.0007122800000000, -0.0001836200000000, 0.0000139500000000 ] - [ -0.0007329300000000, -0.0001763500000000, 0.0000600800000000 ] - [ -0.0007672600000000, -0.0001762100000000, -0.0000412100000000 ] - [ -0.0007198500000000, -0.0001966600000000, 0.0000056600000000 ] - [ 0.0009566100000000, 0.0001491600000000, -0.0000114600000000 ] - [ 0.0006758400000000, 0.0002245700000000, -0.0000149500000000 ] - [ 0.0006711700000000, 0.0001686300000000, -0.0000340000000000 ] - [ 0.0010264600000000, -0.0001057900000000, 0.0002766800000000 ] - [ 0.0006125900000000, 0.0001397200000000, -0.0000070400000000 ] - [ 0.0005896800000000, 0.0002208400000000, -0.0000604700000000 ] - [ 0.0007979300000000, 0.0001701300000000, -0.0000189100000000 ] - [ 0.0007232200000000, 0.0001757400000000, 0.0000184000000000 ] - [ 0.0006990800000000, 0.0001861100000000, -0.0000067900000000 ] - [ -0.0010104800000000, 0.0002441900000000, -0.0005771300000000 ] - [ -0.0007402500000000, 0.0002976800000000, -0.0002537600000000 ] - [ -0.0007839300000000, 0.0004027500000000, -0.0000650100000000 ] - [ -0.0007599900000000, 0.0000642300000000, -0.0013764800000000 ] - [ -0.0006798500000000, 0.0004023000000000, -0.0002004500000000 ] - [ -0.0007370500000000, 0.0001372700000000, 0.0002868000000000 ] - [ -0.0008879700000000, 0.0003909700000000, -0.0001904100000000 ] - [ -0.0007989500000000, 0.0003350300000000, -0.0002724300000000 ] - [ -0.0007838100000000, 0.0003184000000000, -0.0002934400000000 ] - [ -0.0004264600000000, -0.0009140700000000, -0.0016253200000000 ] - [ 0.0009226100000000, -0.0002872100000000, 0.0006700300000000 ] - [ 0.0007977700000000, -0.0002444900000000, 0.0008728000000000 ] - [ 0.0007741400000000, -0.0002689000000000, 0.0001799800000000 ] - [ 0.0008301800000000, -0.0002912800000000, 0.0003758000000000 ] - [ 0.0008138000000000, -0.0003389200000000, 0.0003755300000000 ] - [ 0.0008356200000000, -0.0003559400000000, 0.0002460100000000 ] - [ 0.0008274500000000, -0.0003460700000000, 0.0002953400000000 ] - [ 0.0008114900000000, -0.0002802800000000, 0.0003800800000000 ] - [ -0.0001946200000000, 0.0009604900000000, 0.0002580400000000 ] - [ 0.0008696600000000, 0.0002745600000000, 0.0003155800000000 ] - [ 0.0010294000000000, 0.0004312800000000, 0.0002613900000000 ] - [ -0.0059968000000000, -0.0032263900000000, 0.0005983600000000 ] - [ 0.0008792500000000, 0.0005155400000000, 0.0002577300000000 ] - [ 0.0013033100000000, 0.0006803600000000, 0.0001072800000000 ] - [ 0.0006230000000000, 0.0006084800000000, 0.0003416000000000 ] - [ 0.0008246600000000, 0.0004010200000000, 0.0002616900000000 ] - [ 0.0008004100000000, 0.0003179500000000, 0.0003205200000000 ] - [ -0.0050149900000000, 0.0004421900000000, -0.0022134000000000 ] - [ -0.0006234600000000, -0.0002899300000000, -0.0001296100000000 ] - [ -0.0010279900000000, -0.0002567900000000, -0.0006739800000000 ] - [ -0.0008408600000000, -0.0002119200000000, -0.0004936800000000 ] - [ -0.0007574200000000, -0.0002839400000000, -0.0002200600000000 ] - [ -0.0008132500000000, -0.0003387900000000, -0.0003906800000000 ] - [ -0.0008724000000000, -0.0002772500000000, -0.0004949900000000 ] - [ -0.0008040000000000, -0.0003351200000000, -0.0002468200000000 ] - [ -0.0008143600000000, -0.0002839800000000, -0.0003880600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000494900000000, -0.0008799900000000, 0.0005405300000000 ] - [ -0.0000602800000000, -0.0005992500000000, 0.0004772300000000 ] - [ -0.0001235200000000, -0.0006206500000000, 0.0004048700000000 ] - [ -0.0000121900000000, -0.0001877500000000, 0.0002346100000000 ] - [ -0.0000605500000000, -0.0005919500000000, 0.0004871000000000 ] - [ 0.0000294500000000, -0.0005874000000000, 0.0006520900000000 ] - [ -0.0000649500000000, -0.0007849000000000, 0.0004716100000000 ] - [ -0.0000514600000000, -0.0007027800000000, 0.0004882000000000 ] - [ -0.0000015700000000, -0.0007239100000000, 0.0005391400000000 ] - [ 0.0000366900000000, 0.0010881200000000, -0.0005333000000000 ] - [ 0.0002900200000000, 0.0006941200000000, -0.0001209000000000 ] - [ -0.0000008000000000, 0.0006979400000000, -0.0004933600000000 ] - [ 0.0001365600000000, 0.0004764900000000, -0.0002812300000000 ] - [ -0.0000670000000000, 0.0005956600000000, -0.0004728400000000 ] - [ 0.0000333400000000, 0.0006314500000000, -0.0004899500000000 ] - [ 0.0000044700000000, 0.0004347700000000, -0.0005781700000000 ] - [ 0.0000969300000000, 0.0005310100000000, -0.0004582300000000 ] - [ 0.0000266100000000, 0.0005462400000000, -0.0005036200000000 ] - [ -0.0001885500000000, -0.0008677700000000, -0.0002635800000000 ] - [ 0.0002353300000000, -0.0006738900000000, -0.0003342300000000 ] - [ 0.0000260200000000, -0.0005984100000000, -0.0004970900000000 ] - [ 0.0004623000000000, -0.0004506900000000, -0.0007553200000000 ] - [ -0.0002490000000000, -0.0005483700000000, -0.0008940700000000 ] - [ 0.0000302000000000, -0.0005899600000000, -0.0005386100000000 ] - [ 0.0001061500000000, -0.0008048900000000, -0.0005090100000000 ] - [ 0.0000046600000000, -0.0007405000000000, -0.0005513300000000 ] - [ 0.0000275000000000, -0.0007054200000000, -0.0005074400000000 ] - [ -0.0002383900000000, 0.0015342600000000, 0.0005777900000000 ] - [ -0.0000678400000000, 0.0007213000000000, 0.0004750800000000 ] - [ 0.0002639600000000, 0.0009994700000000, 0.0003560700000000 ] - [ -0.0001479900000000, 0.0001176700000000, 0.0003630900000000 ] - [ -0.0000613300000000, 0.0006126700000000, 0.0004859500000000 ] - [ 0.0002640400000000, 0.0004518600000000, 0.0005270800000000 ] - [ 0.0000663000000000, 0.0003689200000000, 0.0005224800000000 ] - [ -0.0000651500000000, 0.0005501300000000, 0.0004801200000000 ] - [ -0.0001337100000000, 0.0004894100000000, 0.0004696800000000 ] - [ -0.0096486300000000, -0.0702708900000000, -0.0040381000000000 ] - [ -0.0001154800000000, -0.0002951100000000, 0.0002360400000000 ] - [ -0.0000194400000000, -0.0002941100000000, 0.0002666900000000 ] - [ 0.0003367900000000, 0.0032868600000000, 0.0002620300000000 ] - [ -0.0000915300000000, 0.0003805900000000, 0.0002379400000000 ] - [ -0.0002431300000000, 0.0002696400000000, 0.0001523400000000 ] - [ 0.0000170400000000, 0.0032655200000000, 0.0000303200000000 ] - [ -0.0002607300000000, 0.0002699700000000, 0.0001279400000000 ] - [ -0.0001020200000000, 0.0003804200000000, 0.0001382800000000 ] - [ 0.0001520900000000, -0.0002352600000000, -0.0002007800000000 ] - [ 0.0001857800000000, -0.0001666700000000, -0.0002121000000000 ] - [ 0.0002461300000000, -0.0001395300000000, -0.0001815000000000 ] - [ 0.0011842300000000, -0.0005465600000000, 0.0052368000000000 ] - [ 0.0002842000000000, -0.0004614200000000, -0.0000089200000000 ] - [ 0.0002368200000000, -0.0004058900000000, -0.0000852100000000 ] - [ 0.0002780900000000, -0.0001786100000000, -0.0000092500000000 ] - [ 0.0002538700000000, -0.0001116900000000, -0.0001320800000000 ] - [ 0.0002100800000000, -0.0001432600000000, -0.0001641700000000 ] - [ 0.0006998000000000, -0.0014461000000000, -0.0016138400000000 ] - [ 0.0001589500000000, -0.0000134500000000, -0.0002550700000000 ] - [ 0.0003167000000000, -0.0002485100000000, 0.0001161400000000 ] - [ 0.0002231700000000, 0.0004864100000000, -0.0002970800000000 ] - [ 0.0002374700000000, 0.0002693700000000, -0.0001083000000000 ] - [ 0.0001648300000000, 0.0002969700000000, -0.0002271800000000 ] - [ 0.0000978400000000, 0.0004877900000000, -0.0000255200000000 ] - [ 0.0001950900000000, 0.0002698600000000, -0.0001780100000000 ] - [ 0.0002479700000000, 0.0002975900000000, -0.0000841000000000 ] - [ -0.0001479700000000, 0.0000508900000000, 0.0003666200000000 ] - [ -0.0002552100000000, -0.0001348700000000, 0.0001342700000000 ] - [ -0.0001721700000000, -0.0001355800000000, 0.0002926500000000 ] - [ -0.0001662800000000, -0.0011832900000000, -0.0008522100000000 ] - [ -0.0002179800000000, -0.0004396600000000, 0.0001643000000000 ] - [ -0.0002363000000000, -0.0004386900000000, 0.0000820500000000 ] - [ -0.0002684300000000, -0.0000922600000000, 0.0000436700000000 ] - [ -0.0002093500000000, -0.0001452400000000, 0.0001796900000000 ] - [ -0.0002332800000000, -0.0001454300000000, 0.0001347100000000 ] - [ 0.0008652700000000, -0.0008461000000000, -0.0011833500000000 ] - [ 0.0006121400000000, -0.0003923000000000, -0.0000333800000000 ] - [ 0.0007721600000000, -0.0002613600000000, 0.0001165200000000 ] - [ 0.0007258900000000, -0.0001237200000000, 0.0001093400000000 ] - [ 0.0008838700000000, -0.0001154200000000, 0.0002046500000000 ] - [ 0.0007342700000000, -0.0001769200000000, 0.0000035900000000 ] - [ 0.0007742600000000, -0.0000220000000000, 0.0000484800000000 ] - [ 0.0006872600000000, -0.0001145000000000, -0.0000169000000000 ] - [ 0.0007686900000000, -0.0001299900000000, 0.0000535000000000 ] - [ -0.0013662400000000, 0.0008863400000000, 0.0004695700000000 ] - [ -0.0007743900000000, 0.0001720200000000, -0.0000237000000000 ] - [ -0.0001994400000000, 0.0003293900000000, 0.0001882500000000 ] - [ 0.0075504300000000, 0.0011084800000000, -0.0030193200000000 ] - [ -0.0004338100000000, -0.0000124800000000, -0.0001857300000000 ] - [ -0.0016803500000000, 0.0000514600000000, -0.0001019700000000 ] - [ -0.0002842300000000, 0.0003439900000000, -0.0001554700000000 ] - [ -0.0006377400000000, 0.0002593300000000, -0.0000127500000000 ] - [ -0.0008045000000000, 0.0002792000000000, -0.0000226600000000 ] - [ 0.0009537800000000, -0.0003659900000000, -0.0045605200000000 ] - [ -0.0008066200000000, -0.0002634900000000, 0.0000486700000000 ] - [ -0.0006278000000000, -0.0002985900000000, 0.0000727400000000 ] - [ -0.0008618000000000, -0.0001532300000000, 0.0002028700000000 ] - [ -0.0007074200000000, -0.0001840300000000, 0.0000545400000000 ] - [ -0.0007988700000000, -0.0001631100000000, -0.0000768500000000 ] - [ -0.0007629100000000, -0.0000516400000000, -0.0001488300000000 ] - [ -0.0007571600000000, -0.0001363700000000, -0.0000262100000000 ] - [ -0.0007038800000000, -0.0001211600000000, -0.0000115500000000 ] - [ 0.0004559700000000, 0.0003855000000000, 0.0001563400000000 ] - [ 0.0006122100000000, 0.0002238200000000, -0.0000861800000000 ] - [ 0.0008325000000000, 0.0001732900000000, 0.0000688500000000 ] - [ 0.0008896300000000, -0.0005782900000000, -0.0023693200000000 ] - [ 0.0008047300000000, 0.0000558900000000, -0.0000422800000000 ] - [ 0.0007392200000000, 0.0001090900000000, -0.0000417400000000 ] - [ 0.0007191100000000, 0.0002461800000000, -0.0001920500000000 ] - [ 0.0007578600000000, 0.0002467200000000, -0.0000065700000000 ] - [ 0.0006985800000000, 0.0002412700000000, -0.0000036900000000 ] - [ -0.0003577800000000, 0.0001379200000000, -0.0012283000000000 ] - [ -0.0007368100000000, 0.0003098400000000, -0.0003378000000000 ] - [ -0.0009236700000000, 0.0002561700000000, -0.0007632100000000 ] - [ -0.0014400200000000, 0.0019286200000000, 0.0037631800000000 ] - [ -0.0008549000000000, 0.0005031700000000, -0.0000200600000000 ] - [ -0.0007083300000000, 0.0006977300000000, 0.0002378400000000 ] - [ -0.0008385400000000, 0.0000404100000000, -0.0000595800000000 ] - [ -0.0008123500000000, 0.0002399000000000, -0.0002745300000000 ] - [ -0.0007664900000000, 0.0001967300000000, -0.0002470300000000 ] - [ -0.0014110000000000, 0.0007547100000000, 0.0015082300000000 ] - [ 0.0010250900000000, -0.0001050300000000, 0.0004869600000000 ] - [ 0.0007817200000000, -0.0001461700000000, 0.0001149100000000 ] - [ 0.0010098500000000, -0.0003185600000000, 0.0003448000000000 ] - [ 0.0007961600000000, -0.0003467000000000, 0.0000916700000000 ] - [ 0.0008611800000000, -0.0003323200000000, 0.0003084200000000 ] - [ 0.0008219000000000, -0.0005902600000000, 0.0001979100000000 ] - [ 0.0008419500000000, -0.0004149700000000, 0.0003332400000000 ] - [ 0.0008074700000000, -0.0004228100000000, 0.0002408800000000 ] - [ 0.0006352700000000, -0.0045011900000000, 0.0004687200000000 ] - [ 0.0009375100000000, 0.0003321000000000, 0.0004611500000000 ] - [ 0.0003825400000000, 0.0003260300000000, 0.0004238900000000 ] - [ 0.0015587400000000, 0.0654989500000000, 0.0019701400000000 ] - [ 0.0001419100000000, 0.0007169000000000, 0.0001216700000000 ] - [ 0.0011345000000000, 0.0008563100000000, 0.0000276600000000 ] - [ -0.0001095200000000, -0.0012558700000000, 0.0006226600000000 ] - [ 0.0007144000000000, 0.0001344500000000, 0.0003233600000000 ] - [ 0.0008155700000000, 0.0002471300000000, 0.0002784200000000 ] - [ -0.0011033900000000, 0.0052906100000000, 0.0049263600000000 ] - [ -0.0007435100000000, -0.0000754200000000, -0.0005671600000000 ] - [ -0.0009097100000000, -0.0001177200000000, -0.0004723100000000 ] - [ -0.0009630200000000, -0.0004050200000000, -0.0011253300000000 ] - [ -0.0009418400000000, -0.0003516800000000, -0.0003886500000000 ] - [ -0.0008011000000000, -0.0003451800000000, -0.0002381100000000 ] - [ -0.0007747200000000, -0.0007466800000000, 0.0002479100000000 ] - [ -0.0008002300000000, -0.0003908100000000, -0.0002999800000000 ] - [ -0.0008342900000000, -0.0004253800000000, -0.0002543100000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001339100000000, -0.0003868300000000, 0.0004443400000000 ] - [ -0.0000249900000000, -0.0006609600000000, 0.0005069000000000 ] - [ 0.0000371200000000, -0.0006398200000000, 0.0005786400000000 ] - [ -0.0000712000000000, -0.0010631900000000, 0.0007444900000000 ] - [ -0.0000250800000000, -0.0006667100000000, 0.0004967200000000 ] - [ -0.0001153300000000, -0.0006705400000000, 0.0003323000000000 ] - [ -0.0000208900000000, -0.0004754900000000, 0.0005118500000000 ] - [ -0.0000341500000000, -0.0005571800000000, 0.0004958600000000 ] - [ -0.0000833900000000, -0.0005359700000000, 0.0004453200000000 ] - [ 0.0000469800000000, 0.0001780700000000, -0.0004324000000000 ] - [ -0.0001988400000000, 0.0005643200000000, -0.0008551800000000 ] - [ 0.0000861000000000, 0.0005610700000000, -0.0004902400000000 ] - [ -0.0000504900000000, 0.0007812200000000, -0.0006978700000000 ] - [ 0.0001515300000000, 0.0006640700000000, -0.0005108700000000 ] - [ 0.0000521100000000, 0.0006287000000000, -0.0004936600000000 ] - [ 0.0000811400000000, 0.0008222100000000, -0.0004042800000000 ] - [ -0.0000116800000000, 0.0007277300000000, -0.0005253000000000 ] - [ 0.0000589400000000, 0.0007128700000000, -0.0004799700000000 ] - [ 0.0002754900000000, -0.0003918100000000, -0.0007239500000000 ] - [ -0.0001489400000000, -0.0005872000000000, -0.0006508800000000 ] - [ 0.0000595800000000, -0.0006616800000000, -0.0004867900000000 ] - [ -0.0003729600000000, -0.0008019600000000, -0.0002299900000000 ] - [ 0.0003315600000000, -0.0007089100000000, -0.0000912300000000 ] - [ 0.0000551600000000, -0.0006686500000000, -0.0004456300000000 ] - [ -0.0000196200000000, -0.0004552600000000, -0.0004752600000000 ] - [ 0.0000800500000000, -0.0005195900000000, -0.0004331100000000 ] - [ 0.0000580300000000, -0.0005545100000000, -0.0004764400000000 ] - [ 0.0001336600000000, -0.0002748400000000, 0.0004101100000000 ] - [ -0.0000177600000000, 0.0005382900000000, 0.0005087400000000 ] - [ -0.0003293200000000, 0.0002650600000000, 0.0006259000000000 ] - [ 0.0000580000000000, 0.0011356900000000, 0.0006205300000000 ] - [ -0.0000242400000000, 0.0006470900000000, 0.0004980800000000 ] - [ -0.0003446800000000, 0.0008056100000000, 0.0004575100000000 ] - [ -0.0001525800000000, 0.0008884700000000, 0.0004612500000000 ] - [ -0.0000202600000000, 0.0007090100000000, 0.0005038600000000 ] - [ 0.0000499800000000, 0.0007686400000000, 0.0005144300000000 ] - [ 0.0087254100000000, 0.0676033900000000, 0.0044015800000000 ] - [ -0.0003159800000000, 0.0006988600000000, 0.0000877200000000 ] - [ -0.0004076900000000, 0.0007000500000000, 0.0000597200000000 ] - [ -0.0007676300000000, -0.0028876700000000, 0.0000642900000000 ] - [ -0.0003384100000000, 0.0000300000000000, 0.0000875600000000 ] - [ -0.0001867300000000, 0.0001395700000000, 0.0001720500000000 ] - [ -0.0004537000000000, -0.0029083700000000, 0.0003008700000000 ] - [ -0.0001691500000000, 0.0001396200000000, 0.0001972600000000 ] - [ -0.0003281000000000, 0.0000290200000000, 0.0001866200000000 ] - [ 0.0002743800000000, -0.0001702100000000, -0.0001323100000000 ] - [ 0.0002444700000000, -0.0002417600000000, -0.0001141200000000 ] - [ 0.0001841500000000, -0.0002683000000000, -0.0001429300000000 ] - [ -0.0007423700000000, 0.0001923400000000, -0.0054995100000000 ] - [ 0.0001461600000000, 0.0000483500000000, -0.0003153200000000 ] - [ 0.0001945500000000, -0.0000054400000000, -0.0002389700000000 ] - [ 0.0001515300000000, -0.0002295000000000, -0.0003179600000000 ] - [ 0.0001765900000000, -0.0002978600000000, -0.0001934100000000 ] - [ 0.0002199700000000, -0.0002659300000000, -0.0001611100000000 ] - [ -0.0002623900000000, 0.0018385400000000, 0.0012701900000000 ] - [ 0.0002698900000000, 0.0004214800000000, -0.0000728400000000 ] - [ 0.0001153000000000, 0.0006565300000000, -0.0004370700000000 ] - [ 0.0002075300000000, -0.0000781700000000, -0.0000287400000000 ] - [ 0.0001929100000000, 0.0001398000000000, -0.0002167800000000 ] - [ 0.0002655300000000, 0.0001126200000000, -0.0000994300000000 ] - [ 0.0003325200000000, -0.0000766300000000, -0.0003007700000000 ] - [ 0.0002339800000000, 0.0001402800000000, -0.0001467300000000 ] - [ 0.0001823200000000, 0.0001130800000000, -0.0002411900000000 ] - [ -0.0002823600000000, -0.0004568500000000, -0.0000431100000000 ] - [ -0.0001759100000000, -0.0002723400000000, 0.0001911400000000 ] - [ -0.0002575600000000, -0.0002726100000000, 0.0000326200000000 ] - [ -0.0002600500000000, 0.0007565300000000, 0.0011718500000000 ] - [ -0.0002128100000000, 0.0000281000000000, 0.0001600200000000 ] - [ -0.0001936900000000, 0.0000268000000000, 0.0002439300000000 ] - [ -0.0001626300000000, -0.0003175300000000, 0.0002801800000000 ] - [ -0.0002205700000000, -0.0002631500000000, 0.0001452700000000 ] - [ -0.0001961200000000, -0.0002642500000000, 0.0001902500000000 ] - [ 0.0006105000000000, 0.0004747100000000, 0.0011960200000000 ] - [ 0.0008477000000000, 0.0000233400000000, 0.0000602000000000 ] - [ 0.0006922200000000, -0.0001067600000000, -0.0000858800000000 ] - [ 0.0007363100000000, -0.0002447400000000, -0.0000791600000000 ] - [ 0.0005818400000000, -0.0002527000000000, -0.0001758200000000 ] - [ 0.0007292800000000, -0.0001914700000000, 0.0000251200000000 ] - [ 0.0006904800000000, -0.0003456600000000, -0.0000190900000000 ] - [ 0.0007767400000000, -0.0002534400000000, 0.0000452700000000 ] - [ 0.0006954300000000, -0.0002387200000000, -0.0000248100000000 ] - [ -0.0000855500000000, -0.0005238000000000, -0.0005050300000000 ] - [ -0.0006890400000000, 0.0001967100000000, -0.0000052100000000 ] - [ -0.0012662200000000, 0.0000411700000000, -0.0002166200000000 ] - [ -0.0089257200000000, -0.0007265100000000, 0.0029586900000000 ] - [ -0.0010267000000000, 0.0003788300000000, 0.0001529800000000 ] - [ 0.0002123400000000, 0.0003171900000000, 0.0000740900000000 ] - [ -0.0011750800000000, 0.0000255100000000, 0.0001242100000000 ] - [ -0.0008262800000000, 0.0001090800000000, -0.0000150900000000 ] - [ -0.0006612300000000, 0.0000892200000000, -0.0000063800000000 ] - [ -0.0023885600000000, -0.0000097300000000, 0.0044560200000000 ] - [ -0.0006594300000000, -0.0001050000000000, -0.0000775500000000 ] - [ -0.0008338900000000, -0.0000694800000000, -0.0000994900000000 ] - [ -0.0006045700000000, -0.0002152100000000, -0.0002270600000000 ] - [ -0.0007561700000000, -0.0001844900000000, -0.0000834400000000 ] - [ -0.0006662900000000, -0.0002049700000000, 0.0000481700000000 ] - [ -0.0007010900000000, -0.0003152400000000, 0.0001228300000000 ] - [ -0.0007065300000000, -0.0002313300000000, -0.0000021600000000 ] - [ -0.0007601700000000, -0.0002471200000000, -0.0000168300000000 ] - [ 0.0010072300000000, -0.0000138300000000, -0.0001259900000000 ] - [ 0.0008496900000000, 0.0001456300000000, 0.0001129600000000 ] - [ 0.0006310600000000, 0.0001950100000000, -0.0000407100000000 ] - [ 0.0005781200000000, 0.0009593100000000, 0.0023732000000000 ] - [ 0.0006572700000000, 0.0003106900000000, 0.0000694700000000 ] - [ 0.0007261800000000, 0.0002589200000000, 0.0000704200000000 ] - [ 0.0007456900000000, 0.0001237500000000, 0.0002182900000000 ] - [ 0.0007056500000000, 0.0001217200000000, 0.0000352900000000 ] - [ 0.0007647700000000, 0.0001267700000000, 0.0000315300000000 ] - [ -0.0012637700000000, 0.0004991400000000, 0.0006418500000000 ] - [ -0.0008845700000000, 0.0003305700000000, -0.0002569600000000 ] - [ -0.0006990700000000, 0.0003841800000000, 0.0001683600000000 ] - [ -0.0001887900000000, -0.0012578700000000, -0.0043252700000000 ] - [ -0.0007675200000000, 0.0001402800000000, -0.0005710100000000 ] - [ -0.0009153900000000, -0.0000528800000000, -0.0008321100000000 ] - [ -0.0007866100000000, 0.0006004800000000, -0.0005312000000000 ] - [ -0.0008107200000000, 0.0004010600000000, -0.0003210800000000 ] - [ -0.0008562800000000, 0.0004441800000000, -0.0003471300000000 ] - [ 0.0029945500000000, -0.0013752800000000, -0.0009055400000000 ] - [ 0.0006027900000000, -0.0005340300000000, 0.0001123300000000 ] - [ 0.0008411100000000, -0.0004935300000000, 0.0004785400000000 ] - [ 0.0006159800000000, -0.0003207600000000, 0.0002491200000000 ] - [ 0.0008262200000000, -0.0002943200000000, 0.0005030300000000 ] - [ 0.0007622300000000, -0.0003081800000000, 0.0002876200000000 ] - [ 0.0008024100000000, -0.0000536800000000, 0.0003963900000000 ] - [ 0.0007811800000000, -0.0002279900000000, 0.0002614900000000 ] - [ 0.0008161500000000, -0.0002192000000000, 0.0003544800000000 ] - [ 0.0009945400000000, 0.0052254000000000, 0.0001380200000000 ] - [ 0.0006844700000000, 0.0003088600000000, 0.0001370500000000 ] - [ 0.0012415800000000, 0.0003140700000000, 0.0001721200000000 ] - [ 0.0004493600000000, -0.0619188900000000, -0.0014452200000000 ] - [ 0.0014725900000000, -0.0000687500000000, 0.0004724500000000 ] - [ 0.0004886000000000, -0.0002121900000000, 0.0005671500000000 ] - [ 0.0017292300000000, 0.0019160800000000, -0.0000201000000000 ] - [ 0.0009079400000000, 0.0005059700000000, 0.0002721700000000 ] - [ 0.0008083700000000, 0.0003942900000000, 0.0003177600000000 ] - [ -0.0005360100000000, -0.0059217500000000, -0.0054471400000000 ] - [ -0.0008774600000000, -0.0005636400000000, -0.0000296200000000 ] - [ -0.0007147900000000, -0.0005222400000000, -0.0001261800000000 ] - [ -0.0006586000000000, -0.0002418700000000, 0.0005191800000000 ] - [ -0.0006823100000000, -0.0002893700000000, -0.0002068200000000 ] - [ -0.0008211300000000, -0.0002954800000000, -0.0003575300000000 ] - [ -0.0008486600000000, 0.0001028200000000, -0.0008522200000000 ] - [ -0.0008233300000000, -0.0002512000000000, -0.0002959900000000 ] - [ -0.0007887500000000, -0.0002170400000000, -0.0003410800000000 ]- atom: 37 displacement: [ -0.0037270334771818, 0.0000000000000000, 0.0092795054534154 ] forces: - [ -0.0001053600000000, 0.0000001200000000, 0.0004249900000000 ] - [ -0.0000801000000000, -0.0006064200000000, 0.0004689800000000 ] - [ 0.0000088600000000, -0.0006393800000000, 0.0003871200000000 ] - [ -0.0000962500000000, -0.0011227900000000, 0.0003474700000000 ] - [ -0.0001124300000000, -0.0006636200000000, 0.0004492900000000 ] - [ 0.0000127200000000, -0.0006788700000000, 0.0002375200000000 ] - [ -0.0000421800000000, -0.0006215500000000, 0.0004694400000000 ] - [ -0.0000614900000000, -0.0006198800000000, 0.0004804800000000 ] - [ -0.0000227600000000, -0.0006159400000000, 0.0004830800000000 ] - [ 0.0004885700000000, 0.0007941800000000, 0.0040576800000000 ] - [ -0.0002767800000000, 0.0007045300000000, -0.0011806600000000 ] - [ -0.0000654000000000, 0.0006044300000000, -0.0005324300000000 ] - [ -0.0000200900000000, 0.0008866600000000, -0.0005021500000000 ] - [ 0.0000938800000000, 0.0006142000000000, -0.0005442400000000 ] - [ 0.0000172900000000, 0.0006437000000000, -0.0005078100000000 ] - [ 0.0000307100000000, 0.0005844400000000, -0.0004950200000000 ] - [ 0.0000703000000000, 0.0006540100000000, -0.0005083100000000 ] - [ 0.0000156800000000, 0.0006316500000000, -0.0005089800000000 ] - [ 0.0000793200000000, -0.0004389300000000, -0.0003540000000000 ] - [ -0.0000485500000000, -0.0005372600000000, -0.0003737900000000 ] - [ 0.0000157500000000, -0.0006291300000000, -0.0005003100000000 ] - [ 0.0002930700000000, -0.0009343700000000, -0.0004183900000000 ] - [ -0.0001822200000000, -0.0006631800000000, -0.0001853600000000 ] - [ 0.0000044100000000, -0.0006348100000000, -0.0005062200000000 ] - [ 0.0000580600000000, -0.0006178200000000, -0.0004626900000000 ] - [ 0.0000354400000000, -0.0006152800000000, -0.0004678700000000 ] - [ 0.0000294700000000, -0.0006223600000000, -0.0004958900000000 ] - [ -0.0026634400000000, 0.0007654900000000, 0.0003518100000000 ] - [ -0.0000734200000000, 0.0006247300000000, 0.0004719200000000 ] - [ -0.0044397300000000, 0.0001396600000000, 0.0004536500000000 ] - [ -0.0000624400000000, 0.0008807400000000, 0.0006057500000000 ] - [ -0.0000569100000000, 0.0006199700000000, 0.0004870600000000 ] - [ -0.0000727200000000, 0.0006539500000000, 0.0005291900000000 ] - [ -0.0000437300000000, 0.0006018200000000, 0.0005345300000000 ] - [ -0.0000586400000000, 0.0006403800000000, 0.0004838100000000 ] - [ -0.0000348600000000, 0.0006323800000000, 0.0005184000000000 ] - [ 0.0092026800000000, -0.0001839000000000, -0.0354983100000000 ] - [ -0.0005142900000000, 0.0002306800000000, 0.0001420400000000 ] - [ -0.0002917200000000, 0.0002376200000000, 0.0002289900000000 ] - [ -0.0002437000000000, -0.0000127600000000, 0.0000930500000000 ] - [ -0.0002631500000000, 0.0001400600000000, 0.0001222700000000 ] - [ -0.0002060200000000, 0.0001906400000000, 0.0001692800000000 ] - [ -0.0002115000000000, 0.0000842800000000, 0.0001070900000000 ] - [ -0.0002499500000000, 0.0002059500000000, 0.0001516100000000 ] - [ -0.0001996400000000, 0.0002289100000000, 0.0001474300000000 ] - [ 0.0002306800000000, -0.0002123600000000, -0.0002203700000000 ] - [ 0.0002266500000000, -0.0002402400000000, -0.0001462600000000 ] - [ 0.0001867400000000, -0.0002352100000000, -0.0001952100000000 ] - [ 0.0015650400000000, 0.0044276100000000, 0.0022485600000000 ] - [ 0.0002279100000000, -0.0000886000000000, -0.0002196100000000 ] - [ 0.0000890300000000, -0.0001412900000000, -0.0002386300000000 ] - [ 0.0002000000000000, -0.0000862000000000, -0.0001589500000000 ] - [ 0.0002212400000000, -0.0001917400000000, -0.0001809800000000 ] - [ 0.0002021400000000, -0.0002054300000000, -0.0001699800000000 ] - [ -0.0010519900000000, 0.0017275400000000, 0.0035323000000000 ] - [ 0.0003332800000000, 0.0002700300000000, -0.0000604400000000 ] - [ 0.0007221000000000, -0.0000135700000000, 0.0004762600000000 ] - [ 0.0002009700000000, 0.0000332600000000, -0.0000239900000000 ] - [ 0.0002225000000000, 0.0002123900000000, -0.0001521300000000 ] - [ 0.0002591600000000, 0.0001442800000000, -0.0001300000000000 ] - [ 0.0001667700000000, 0.0003333800000000, -0.0000379400000000 ] - [ 0.0002397200000000, 0.0001629800000000, -0.0001450000000000 ] - [ 0.0002454000000000, 0.0002462200000000, -0.0001359400000000 ] - [ -0.0002704900000000, -0.0003718200000000, 0.0004286600000000 ] - [ -0.0001513100000000, -0.0003106200000000, 0.0002156200000000 ] - [ -0.0001982800000000, -0.0001944900000000, 0.0001969700000000 ] - [ -0.0004452100000000, 0.0007545000000000, 0.0007121200000000 ] - [ -0.0000166600000000, -0.0001378400000000, 0.0003300500000000 ] - [ -0.0001716300000000, -0.0002073800000000, 0.0002694700000000 ] - [ -0.0002145000000000, -0.0001153900000000, 0.0002426800000000 ] - [ -0.0001964000000000, -0.0001862700000000, 0.0001839400000000 ] - [ -0.0002049200000000, -0.0002194700000000, 0.0001812200000000 ] - [ -0.0010458900000000, -0.0003911600000000, 0.0034447800000000 ] - [ 0.0008476900000000, -0.0002055400000000, -0.0003178600000000 ] - [ 0.0006170200000000, -0.0001668900000000, 0.0002455800000000 ] - [ 0.0006503500000000, -0.0000997500000000, 0.0000569800000000 ] - [ 0.0007584300000000, -0.0001690200000000, -0.0000574800000000 ] - [ 0.0007352300000000, -0.0001769900000000, 0.0000486200000000 ] - [ 0.0006241500000000, -0.0002180100000000, 0.0000604000000000 ] - [ 0.0007393900000000, -0.0001977800000000, -0.0000181400000000 ] - [ 0.0007249500000000, -0.0001902700000000, 0.0000383100000000 ] - [ -0.0009054200000000, 0.0006871300000000, 0.0001012500000000 ] - [ -0.0007326400000000, 0.0001926200000000, 0.0000483400000000 ] - [ -0.0006336800000000, 0.0001876200000000, -0.0000603200000000 ] - [ -0.0032185100000000, -0.0026536300000000, 0.0008227500000000 ] - [ -0.0008006300000000, 0.0002057800000000, 0.0001320800000000 ] - [ -0.0005837300000000, 0.0002640800000000, -0.0002039100000000 ] - [ -0.0007860100000000, 0.0001647600000000, 0.0000279300000000 ] - [ -0.0007495300000000, 0.0001701600000000, 0.0000128500000000 ] - [ -0.0007208200000000, 0.0001793100000000, -0.0000257300000000 ] - [ -0.0035833200000000, 0.0003110300000000, 0.0079632900000000 ] - [ -0.0004896500000000, -0.0001766700000000, -0.0000845100000000 ] - [ -0.0008296000000000, -0.0001997200000000, 0.0003519800000000 ] - [ -0.0007706400000000, -0.0000440600000000, -0.0000981400000000 ] - [ -0.0006931600000000, -0.0001677400000000, -0.0000289500000000 ] - [ -0.0007087600000000, -0.0002107100000000, 0.0000788300000000 ] - [ -0.0007120600000000, -0.0002298400000000, -0.0000599000000000 ] - [ -0.0006802800000000, -0.0002106700000000, -0.0000153600000000 ] - [ -0.0007401700000000, -0.0001813600000000, 0.0000100900000000 ] - [ 0.0004356200000000, 0.0007008800000000, 0.0000343100000000 ] - [ 0.0008057600000000, 0.0000931600000000, 0.0001761000000000 ] - [ 0.0008011300000000, 0.0002052700000000, -0.0000012000000000 ] - [ -0.0000943100000000, -0.0028140600000000, 0.0013027800000000 ] - [ 0.0007585100000000, 0.0003023900000000, 0.0002502100000000 ] - [ 0.0009334900000000, 0.0001072700000000, -0.0000280200000000 ] - [ 0.0007560800000000, 0.0001678100000000, -0.0000688700000000 ] - [ 0.0007169700000000, 0.0001802100000000, 0.0000255100000000 ] - [ 0.0007707900000000, 0.0001692500000000, 0.0000123300000000 ] - [ -0.0004318500000000, 0.0002419600000000, -0.0009002300000000 ] - [ -0.0009127400000000, 0.0003400400000000, -0.0004034000000000 ] - [ -0.0008890100000000, 0.0002304100000000, -0.0003237500000000 ] - [ 0.0005026000000000, -0.0012336400000000, -0.0026278900000000 ] - [ -0.0009034600000000, 0.0002216900000000, -0.0006275600000000 ] - [ -0.0010831800000000, 0.0007526500000000, -0.0003096400000000 ] - [ -0.0008763500000000, 0.0003731900000000, -0.0004092200000000 ] - [ -0.0008058500000000, 0.0003227900000000, -0.0003657200000000 ] - [ -0.0008402000000000, 0.0003570900000000, -0.0002932800000000 ] - [ 0.0041589200000000, -0.0018654700000000, -0.0026197000000000 ] - [ 0.0003181400000000, -0.0002977900000000, 0.0003563000000000 ] - [ 0.0008355400000000, -0.0003888000000000, -0.0003823300000000 ] - [ 0.0008698900000000, -0.0004770400000000, 0.0000406200000000 ] - [ 0.0007733300000000, -0.0003733100000000, 0.0003180100000000 ] - [ 0.0007754100000000, -0.0003095000000000, 0.0002278900000000 ] - [ 0.0007472800000000, -0.0003043100000000, 0.0001413500000000 ] - [ 0.0007786000000000, -0.0002377300000000, 0.0003311300000000 ] - [ 0.0008055200000000, -0.0003345400000000, 0.0002297200000000 ] - [ 0.0004960500000000, -0.0003993300000000, 0.0011997500000000 ] - [ 0.0008670200000000, 0.0003177600000000, 0.0001859700000000 ] - [ 0.0007561400000000, 0.0003143000000000, 0.0003650300000000 ] - [ -0.0003300700000000, 0.0040019300000000, 0.0073941600000000 ] - [ 0.0009513500000000, 0.0003004200000000, 0.0002491000000000 ] - [ 0.0007600600000000, 0.0002723700000000, 0.0004216900000000 ] - [ 0.0009013900000000, 0.0003479000000000, 0.0002852100000000 ] - [ 0.0008237000000000, 0.0003732700000000, 0.0003117700000000 ] - [ 0.0008064800000000, 0.0003271000000000, 0.0003203600000000 ] - [ 0.0017162100000000, -0.0021446300000000, 0.0084735600000000 ] - [ -0.0008603000000000, -0.0004154300000000, -0.0000427600000000 ] - [ -0.0004759500000000, -0.0003478200000000, -0.0003961500000000 ] - [ -0.0007466700000000, -0.0006419700000000, 0.0000020800000000 ] - [ -0.0008308700000000, -0.0003452300000000, -0.0002299900000000 ] - [ -0.0007928400000000, -0.0003315600000000, -0.0003466200000000 ] - [ -0.0007323900000000, -0.0003250200000000, -0.0003607500000000 ] - [ -0.0008112000000000, -0.0003003200000000, -0.0002674200000000 ] - [ -0.0007921100000000, -0.0002974500000000, -0.0002881100000000 ]- atom: 37 displacement: [ 0.0037270334771818, 0.0000000000000000, -0.0092795054534154 ] forces: - [ 0.0000200900000000, -0.0012541800000000, 0.0005594300000000 ] - [ -0.0000045400000000, -0.0006519400000000, 0.0005159500000000 ] - [ -0.0000923600000000, -0.0006183900000000, 0.0005980700000000 ] - [ 0.0000113600000000, -0.0001384900000000, 0.0006418100000000 ] - [ 0.0000277000000000, -0.0005951200000000, 0.0005354000000000 ] - [ -0.0000959800000000, -0.0005793200000000, 0.0007483000000000 ] - [ -0.0000421900000000, -0.0006359200000000, 0.0005155400000000 ] - [ -0.0000230900000000, -0.0006383200000000, 0.0005044000000000 ] - [ -0.0000619000000000, -0.0006421200000000, 0.0005014400000000 ] - [ -0.0004274000000000, 0.0004349000000000, -0.0052803600000000 ] - [ 0.0003587600000000, 0.0005536600000000, 0.0001920100000000 ] - [ 0.0001494500000000, 0.0006536800000000, -0.0004525400000000 ] - [ 0.0001044500000000, 0.0003713700000000, -0.0004840900000000 ] - [ -0.0000089400000000, 0.0006440400000000, -0.0004403800000000 ] - [ 0.0000670400000000, 0.0006150000000000, -0.0004769900000000 ] - [ 0.0000540000000000, 0.0006749900000000, -0.0004883900000000 ] - [ 0.0000140300000000, 0.0006048400000000, -0.0004763200000000 ] - [ 0.0000686900000000, 0.0006270600000000, -0.0004756100000000 ] - [ 0.0000055700000000, -0.0008203100000000, -0.0006293300000000 ] - [ 0.0001314300000000, -0.0007206000000000, -0.0006104800000000 ] - [ 0.0000686500000000, -0.0006294000000000, -0.0004843100000000 ] - [ -0.0002128000000000, -0.0003237500000000, -0.0005630700000000 ] - [ 0.0002696000000000, -0.0005945200000000, -0.0007960600000000 ] - [ 0.0000796300000000, -0.0006236200000000, -0.0004781600000000 ] - [ 0.0000259800000000, -0.0006394000000000, -0.0005215800000000 ] - [ 0.0000492500000000, -0.0006423400000000, -0.0005160500000000 ] - [ 0.0000549500000000, -0.0006357400000000, -0.0004887400000000 ] - [ 0.0026139100000000, 0.0004807700000000, 0.0006542100000000 ] - [ -0.0000113000000000, 0.0006332500000000, 0.0005130100000000 ] - [ 0.0043319100000000, 0.0011084600000000, 0.0005057000000000 ] - [ -0.0000209300000000, 0.0003812800000000, 0.0003799000000000 ] - [ -0.0000276400000000, 0.0006386600000000, 0.0004977400000000 ] - [ -0.0000135600000000, 0.0006062300000000, 0.0004552600000000 ] - [ -0.0000420000000000, 0.0006580000000000, 0.0004506900000000 ] - [ -0.0000258400000000, 0.0006181300000000, 0.0005009900000000 ] - [ -0.0000483200000000, 0.0006266700000000, 0.0004668100000000 ] - [ -0.0097132700000000, 0.0008004200000000, 0.0352717800000000 ] - [ 0.0000814900000000, 0.0001822200000000, 0.0001830400000000 ] - [ -0.0001363200000000, 0.0001757700000000, 0.0000933900000000 ] - [ -0.0001880500000000, 0.0004135700000000, 0.0002329400000000 ] - [ -0.0001678400000000, 0.0002700200000000, 0.0002030700000000 ] - [ -0.0002235800000000, 0.0002199300000000, 0.0001557900000000 ] - [ -0.0002163000000000, 0.0003130900000000, 0.0002226500000000 ] - [ -0.0001800400000000, 0.0002040400000000, 0.0001729500000000 ] - [ -0.0002303900000000, 0.0001819800000000, 0.0001777000000000 ] - [ 0.0001999500000000, -0.0001944600000000, -0.0001028200000000 ] - [ 0.0002041300000000, -0.0001711100000000, -0.0001786800000000 ] - [ 0.0002429200000000, -0.0001758700000000, -0.0001292500000000 ] - [ -0.0011195800000000, -0.0048163200000000, -0.0025562500000000 ] - [ 0.0002013900000000, -0.0003203100000000, -0.0001057200000000 ] - [ 0.0003417500000000, -0.0002685900000000, -0.0000872500000000 ] - [ 0.0002300600000000, -0.0003257000000000, -0.0001658200000000 ] - [ 0.0002086700000000, -0.0002194500000000, -0.0001442100000000 ] - [ 0.0002279300000000, -0.0002053500000000, -0.0001542000000000 ] - [ 0.0014783600000000, -0.0013075800000000, -0.0038431800000000 ] - [ 0.0000979200000000, 0.0001414400000000, -0.0002643200000000 ] - [ -0.0002917900000000, 0.0004253700000000, -0.0007990300000000 ] - [ 0.0002288600000000, 0.0003771900000000, -0.0002995700000000 ] - [ 0.0002075300000000, 0.0001978800000000, -0.0001726200000000 ] - [ 0.0001712500000000, 0.0002657400000000, -0.0001939600000000 ] - [ 0.0002627900000000, 0.0000777800000000, -0.0002861200000000 ] - [ 0.0001903700000000, 0.0002464400000000, -0.0001791900000000 ] - [ 0.0001845800000000, 0.0001642600000000, -0.0001890200000000 ] - [ -0.0001597700000000, -0.0000410000000000, -0.0001035800000000 ] - [ -0.0002785100000000, -0.0001003800000000, 0.0001092800000000 ] - [ -0.0002315300000000, -0.0002163200000000, 0.0001281100000000 ] - [ 0.0000142000000000, -0.0011582400000000, -0.0003830000000000 ] - [ -0.0004132100000000, -0.0002717000000000, -0.0000053900000000 ] - [ -0.0002583400000000, -0.0002019000000000, 0.0000581400000000 ] - [ -0.0002151600000000, -0.0002958900000000, 0.0000834100000000 ] - [ -0.0002336300000000, -0.0002244000000000, 0.0001405200000000 ] - [ -0.0002249500000000, -0.0001913100000000, 0.0001447600000000 ] - [ 0.0024998800000000, 0.0000160500000000, -0.0033653000000000 ] - [ 0.0006131700000000, -0.0001626500000000, 0.0003396200000000 ] - [ 0.0008460500000000, -0.0002022200000000, -0.0002216800000000 ] - [ 0.0008128100000000, -0.0002702100000000, -0.0000335100000000 ] - [ 0.0007033400000000, -0.0002002300000000, 0.0000809200000000 ] - [ 0.0007271700000000, -0.0001919500000000, -0.0000246100000000 ] - [ 0.0008371900000000, -0.0001520000000000, -0.0000353300000000 ] - [ 0.0007232000000000, -0.0001722200000000, 0.0000418600000000 ] - [ 0.0007375800000000, -0.0001790700000000, -0.0000141600000000 ] - [ -0.0005514000000000, -0.0003136800000000, -0.0001242400000000 ] - [ -0.0007292500000000, 0.0001766300000000, -0.0000715100000000 ] - [ -0.0008296800000000, 0.0001826200000000, 0.0000364300000000 ] - [ 0.0017318500000000, 0.0030265800000000, -0.0008215000000000 ] - [ -0.0006618300000000, 0.0001640200000000, -0.0001562800000000 ] - [ -0.0008708500000000, 0.0001037600000000, 0.0001813400000000 ] - [ -0.0006798400000000, 0.0002034800000000, -0.0000510400000000 ] - [ -0.0007131900000000, 0.0001988900000000, -0.0000366100000000 ] - [ -0.0007416300000000, 0.0001891900000000, 0.0000012800000000 ] - [ 0.0020991200000000, -0.0006830800000000, -0.0078972800000000 ] - [ -0.0009709200000000, -0.0001918100000000, 0.0000599500000000 ] - [ -0.0006350500000000, -0.0001684200000000, -0.0003799400000000 ] - [ -0.0006909800000000, -0.0003249400000000, 0.0000715700000000 ] - [ -0.0007693600000000, -0.0002010700000000, 0.0000049400000000 ] - [ -0.0007541400000000, -0.0001576500000000, -0.0001037800000000 ] - [ -0.0007505100000000, -0.0001403500000000, 0.0000381100000000 ] - [ -0.0007817800000000, -0.0001589400000000, -0.0000084100000000 ] - [ -0.0007225000000000, -0.0001879400000000, -0.0000338600000000 ] - [ 0.0010258600000000, -0.0003280300000000, -0.0000143600000000 ] - [ 0.0006587800000000, 0.0002746600000000, -0.0001491500000000 ] - [ 0.0006615100000000, 0.0001635800000000, 0.0000260700000000 ] - [ 0.0015578100000000, 0.0032206500000000, -0.0013049900000000 ] - [ 0.0007046800000000, 0.0000678300000000, -0.0002247900000000 ] - [ 0.0005300200000000, 0.0002619100000000, 0.0000538200000000 ] - [ 0.0007062700000000, 0.0002012300000000, 0.0000944700000000 ] - [ 0.0007459600000000, 0.0001886200000000, -0.0000008400000000 ] - [ 0.0006919300000000, 0.0001994000000000, 0.0000121000000000 ] - [ -0.0011910800000000, 0.0004000200000000, 0.0002997100000000 ] - [ -0.0007122700000000, 0.0003021600000000, -0.0001967000000000 ] - [ -0.0007333000000000, 0.0004108200000000, -0.0002752400000000 ] - [ -0.0021304000000000, 0.0018671500000000, 0.0020050900000000 ] - [ -0.0007194100000000, 0.0004189300000000, 0.0000274700000000 ] - [ -0.0005397000000000, -0.0001116900000000, -0.0002965400000000 ] - [ -0.0007454400000000, 0.0002692600000000, -0.0001923500000000 ] - [ -0.0008169000000000, 0.0003192400000000, -0.0002337500000000 ] - [ -0.0007824400000000, 0.0002849800000000, -0.0003069000000000 ] - [ -0.0025127000000000, 0.0012110900000000, 0.0032225900000000 ] - [ 0.0013000000000000, -0.0003447800000000, 0.0002450500000000 ] - [ 0.0007877400000000, -0.0002539300000000, 0.0009810600000000 ] - [ 0.0007512000000000, -0.0001653600000000, 0.0005596100000000 ] - [ 0.0008493600000000, -0.0002685500000000, 0.0002827500000000 ] - [ 0.0008478400000000, -0.0003312600000000, 0.0003721000000000 ] - [ 0.0008753100000000, -0.0003358400000000, 0.0004579000000000 ] - [ 0.0008435500000000, -0.0004030300000000, 0.0002693000000000 ] - [ 0.0008174300000000, -0.0003070200000000, 0.0003707800000000 ] - [ 0.0011137400000000, 0.0010335000000000, -0.0005894500000000 ] - [ 0.0007537800000000, 0.0003240800000000, 0.0004125400000000 ] - [ 0.0008658500000000, 0.0003268100000000, 0.0002340900000000 ] - [ 0.0019674500000000, -0.0035358000000000, -0.0068299500000000 ] - [ 0.0006733900000000, 0.0003412900000000, 0.0003510200000000 ] - [ 0.0008586800000000, 0.0003664600000000, 0.0001801800000000 ] - [ 0.0007258700000000, 0.0002925800000000, 0.0003113000000000 ] - [ 0.0007985800000000, 0.0002687200000000, 0.0002890000000000 ] - [ 0.0008160500000000, 0.0003143800000000, 0.0002796000000000 ] - [ -0.0032305100000000, 0.0014772100000000, -0.0084428000000000 ] - [ -0.0007614600000000, -0.0002264400000000, -0.0005561100000000 ] - [ -0.0011451200000000, -0.0002948400000000, -0.0001958900000000 ] - [ -0.0008751900000000, 0.0000024100000000, -0.0005970300000000 ] - [ -0.0007906600000000, -0.0002956200000000, -0.0003706600000000 ] - [ -0.0008291200000000, -0.0003096600000000, -0.0002521900000000 ] - [ -0.0008907600000000, -0.0003153100000000, -0.0002496200000000 ] - [ -0.0008102200000000, -0.0003393800000000, -0.0003321500000000 ] - [ -0.0008299500000000, -0.0003439800000000, -0.0003117000000000 ]- atom: 73 displacement: [ 0.0099999580557189, 0.0000000000000000, 0.0000289634918988 ] forces: - [ 0.0000403700000000, -0.0002713900000000, 0.0003943600000000 ] - [ -0.0001599900000000, -0.0005840800000000, 0.0004291300000000 ] - [ -0.0001426700000000, -0.0008549000000000, 0.0007407900000000 ] - [ 0.0000563900000000, -0.0008064000000000, 0.0000140100000000 ] - [ -0.0002169600000000, -0.0006613400000000, 0.0003707900000000 ] - [ -0.0000154000000000, -0.0004411700000000, 0.0008128400000000 ] - [ -0.0000427000000000, -0.0006602400000000, 0.0004383200000000 ] - [ -0.0001040100000000, -0.0006428900000000, 0.0004582300000000 ] - [ 0.0000186900000000, -0.0006577900000000, 0.0005352700000000 ] - [ -0.0000267200000000, 0.0006809200000000, -0.0001778700000000 ] - [ 0.0002407700000000, 0.0006195300000000, -0.0007984200000000 ] - [ -0.0001304800000000, 0.0006111700000000, -0.0006285200000000 ] - [ 0.0001131900000000, 0.0006183900000000, -0.0004288500000000 ] - [ 0.0000420100000000, 0.0006068200000000, -0.0005183700000000 ] - [ -0.0000303200000000, 0.0006885800000000, -0.0005354400000000 ] - [ 0.0000960300000000, 0.0006011600000000, -0.0004290800000000 ] - [ 0.0000590300000000, 0.0006267000000000, -0.0004980200000000 ] - [ -0.0000312000000000, 0.0005943100000000, -0.0005433300000000 ] - [ 0.0002298200000000, -0.0006355900000000, -0.0004221300000000 ] - [ -0.0001903900000000, -0.0003289300000000, -0.0004660200000000 ] - [ -0.0001148100000000, -0.0007207300000000, -0.0005510100000000 ] - [ 0.0006834900000000, -0.0005927000000000, -0.0004660500000000 ] - [ -0.0004628700000000, -0.0006895400000000, -0.0004661200000000 ] - [ -0.0002235600000000, -0.0004913900000000, -0.0005874000000000 ] - [ 0.0001566400000000, -0.0006612900000000, -0.0004542400000000 ] - [ -0.0000068300000000, -0.0006466700000000, -0.0004941300000000 ] - [ -0.0000295200000000, -0.0006594400000000, -0.0005243500000000 ] - [ -0.0004581600000000, 0.0005918000000000, 0.0012633900000000 ] - [ -0.0002668900000000, 0.0006497600000000, 0.0003299700000000 ] - [ 0.0003432100000000, 0.0007388000000000, 0.0007581600000000 ] - [ -0.0000973400000000, 0.0005916000000000, 0.0005578100000000 ] - [ -0.0001256800000000, 0.0006243900000000, 0.0004547800000000 ] - [ 0.0000852800000000, 0.0007215300000000, 0.0005353800000000 ] - [ -0.0000670200000000, 0.0006098100000000, 0.0005301000000000 ] - [ -0.0001298300000000, 0.0006161500000000, 0.0004436300000000 ] - [ 0.0000626200000000, 0.0005485800000000, 0.0005238000000000 ] - [ -0.0016934000000000, 0.0003329100000000, -0.0023429700000000 ] - [ -0.0003134800000000, 0.0002464100000000, -0.0000013800000000 ] - [ -0.0000706600000000, 0.0000865400000000, 0.0003452700000000 ] - [ -0.0002514600000000, 0.0002475500000000, 0.0000326700000000 ] - [ -0.0001910100000000, 0.0002426100000000, 0.0001653000000000 ] - [ -0.0002114200000000, 0.0001614400000000, 0.0001723700000000 ] - [ -0.0002447400000000, 0.0002018200000000, 0.0000627900000000 ] - [ -0.0001927200000000, 0.0002081200000000, 0.0001753000000000 ] - [ -0.0001753500000000, 0.0003577200000000, 0.0002076200000000 ] - [ 0.0000967700000000, -0.0008443600000000, -0.0004015900000000 ] - [ 0.0002884500000000, -0.0002491900000000, -0.0001356300000000 ] - [ 0.0003671700000000, 0.0003267000000000, 0.0000036300000000 ] - [ 0.0014692600000000, 0.0080585600000000, -0.0023437500000000 ] - [ 0.0004177600000000, 0.0000921100000000, -0.0001573200000000 ] - [ 0.0012838500000000, -0.0011435200000000, 0.0004196000000000 ] - [ 0.0000468300000000, 0.0002416900000000, -0.0002883200000000 ] - [ 0.0002711700000000, -0.0001118700000000, -0.0001600400000000 ] - [ 0.0002058900000000, -0.0002767900000000, -0.0001547900000000 ] - [ -0.0002881300000000, -0.0014719800000000, -0.0034388200000000 ] - [ 0.0003372600000000, 0.0002808300000000, 0.0001467200000000 ] - [ 0.0001965000000000, 0.0001032500000000, -0.0002722300000000 ] - [ 0.0002163400000000, 0.0002362100000000, -0.0001413700000000 ] - [ 0.0002508700000000, 0.0002311000000000, -0.0000932900000000 ] - [ 0.0002040500000000, 0.0001776200000000, -0.0001761500000000 ] - [ 0.0001930300000000, 0.0003352900000000, -0.0002148700000000 ] - [ 0.0002541200000000, 0.0001810100000000, -0.0001056500000000 ] - [ 0.0001964800000000, 0.0002726900000000, -0.0001453000000000 ] - [ -0.0004376700000000, 0.0000699400000000, -0.0002466900000000 ] - [ -0.0001553700000000, -0.0003072100000000, 0.0002614400000000 ] - [ -0.0001590400000000, -0.0000866900000000, 0.0002647100000000 ] - [ -0.0005090700000000, -0.0003615000000000, -0.0008456700000000 ] - [ -0.0000741200000000, -0.0002120200000000, 0.0004365100000000 ] - [ -0.0000966300000000, -0.0002779600000000, 0.0002410900000000 ] - [ -0.0002816300000000, -0.0001931300000000, 0.0001624500000000 ] - [ -0.0001828400000000, -0.0001724600000000, 0.0002175100000000 ] - [ -0.0002062800000000, -0.0002312000000000, 0.0001506500000000 ] - [ -0.0769521600000000, -0.0044517300000000, -0.0003171800000000 ] - [ 0.0029986200000000, 0.0000833600000000, -0.0000110500000000 ] - [ 0.0029809100000000, -0.0001066300000000, -0.0002761200000000 ] - [ 0.0002157800000000, -0.0001656600000000, 0.0001178100000000 ] - [ 0.0009058200000000, -0.0000829800000000, 0.0000803400000000 ] - [ 0.0007954600000000, -0.0002539500000000, 0.0000079400000000 ] - [ 0.0002167900000000, -0.0000217600000000, 0.0000938100000000 ] - [ 0.0007950600000000, -0.0001963700000000, 0.0000373500000000 ] - [ 0.0009058600000000, -0.0000466900000000, 0.0000172700000000 ] - [ -0.0006726300000000, 0.0001589000000000, -0.0003331200000000 ] - [ -0.0006193900000000, 0.0001920900000000, 0.0000871600000000 ] - [ -0.0006045300000000, 0.0004161400000000, 0.0004368500000000 ] - [ 0.0001487200000000, -0.0003532400000000, -0.0019280000000000 ] - [ -0.0005116700000000, 0.0001838500000000, 0.0001342900000000 ] - [ -0.0008475200000000, -0.0000355400000000, 0.0004204600000000 ] - [ -0.0006916000000000, 0.0002032000000000, -0.0000798100000000 ] - [ -0.0006603900000000, 0.0002039500000000, 0.0000384000000000 ] - [ -0.0007967400000000, 0.0001895000000000, -0.0000384600000000 ] - [ 0.0008932200000000, -0.0005545600000000, 0.0053062900000000 ] - [ -0.0002449600000000, -0.0002441800000000, 0.0001083600000000 ] - [ -0.0004480600000000, -0.0001813400000000, 0.0000408200000000 ] - [ -0.0009383800000000, -0.0000917300000000, 0.0001102800000000 ] - [ -0.0006403800000000, -0.0001789400000000, 0.0000503300000000 ] - [ -0.0007456700000000, -0.0002244300000000, -0.0000730900000000 ] - [ -0.0009383700000000, -0.0001865600000000, 0.0000852900000000 ] - [ -0.0006402600000000, -0.0001997700000000, 0.0000342500000000 ] - [ -0.0007457100000000, -0.0001302000000000, -0.0000839600000000 ] - [ 0.0007524900000000, 0.0002238300000000, -0.0002616900000000 ] - [ 0.0007929200000000, 0.0001194700000000, 0.0001134500000000 ] - [ 0.0007932600000000, 0.0001928300000000, 0.0001992100000000 ] - [ 0.0011881900000000, 0.0000932900000000, -0.0010512200000000 ] - [ 0.0007629000000000, 0.0002379700000000, 0.0001083400000000 ] - [ 0.0007651100000000, 0.0001280600000000, 0.0004235300000000 ] - [ 0.0007276000000000, 0.0002158300000000, -0.0001377800000000 ] - [ 0.0007553000000000, 0.0001947000000000, 0.0000198800000000 ] - [ 0.0007554200000000, 0.0001879300000000, 0.0000498400000000 ] - [ -0.0008687600000000, 0.0001723200000000, 0.0001819600000000 ] - [ -0.0009081400000000, 0.0003519600000000, -0.0004748400000000 ] - [ -0.0007918700000000, 0.0002652000000000, -0.0006489000000000 ] - [ -0.0017482400000000, 0.0020635100000000, 0.0008942800000000 ] - [ -0.0009140500000000, 0.0001696700000000, -0.0006249100000000 ] - [ -0.0007077600000000, 0.0003729800000000, -0.0005190800000000 ] - [ -0.0008544800000000, 0.0002540400000000, -0.0002171000000000 ] - [ -0.0008338200000000, 0.0002976200000000, -0.0003894500000000 ] - [ -0.0008112100000000, 0.0003198400000000, -0.0002274300000000 ] - [ 0.0067472200000000, 0.0008452500000000, 0.0058150800000000 ] - [ 0.0005846500000000, -0.0002983300000000, -0.0003654500000000 ] - [ 0.0003432900000000, -0.0002717000000000, 0.0008082200000000 ] - [ 0.0010873600000000, -0.0002779400000000, 0.0001244000000000 ] - [ 0.0007478200000000, -0.0003794500000000, 0.0001490000000000 ] - [ 0.0007823100000000, -0.0002598100000000, 0.0002900300000000 ] - [ 0.0010520500000000, -0.0005319300000000, 0.0000811700000000 ] - [ 0.0007622000000000, -0.0002592500000000, 0.0002733400000000 ] - [ 0.0008064300000000, -0.0004237800000000, 0.0002900900000000 ] - [ 0.0008064800000000, 0.0004338000000000, 0.0009332400000000 ] - [ 0.0007559700000000, 0.0003390200000000, 0.0002904300000000 ] - [ 0.0005740900000000, 0.0001942000000000, -0.0000879500000000 ] - [ 0.0004747200000000, -0.0000965500000000, 0.0040293100000000 ] - [ 0.0007409900000000, 0.0002764400000000, 0.0004267000000000 ] - [ 0.0006652700000000, 0.0006307000000000, -0.0007549800000000 ] - [ 0.0007778900000000, 0.0002383600000000, 0.0007068000000000 ] - [ 0.0007646400000000, 0.0002857900000000, 0.0003471600000000 ] - [ 0.0008444000000000, 0.0003216200000000, 0.0001820800000000 ] - [ 0.0699420700000000, -0.0035828000000000, -0.0050147300000000 ] - [ -0.0020783900000000, -0.0007676200000000, 0.0001038400000000 ] - [ -0.0047644800000000, -0.0003241600000000, -0.0006223700000000 ] - [ -0.0003926000000000, -0.0011866600000000, -0.0003785800000000 ] - [ -0.0009657500000000, -0.0004072200000000, -0.0003148700000000 ] - [ -0.0008029900000000, -0.0000923400000000, -0.0002177800000000 ] - [ -0.0002912300000000, -0.0001719400000000, -0.0005387100000000 ] - [ -0.0008592300000000, -0.0003293100000000, -0.0003447600000000 ] - [ -0.0008328500000000, -0.0007758600000000, -0.0001165300000000 ]- atom: 73 displacement: [ -0.0099999580557189, 0.0000000000000000, -0.0000289634918988 ] forces: - [ -0.0001215600000000, -0.0009841300000000, 0.0005904800000000 ] - [ 0.0000755000000000, -0.0006734200000000, 0.0005552600000000 ] - [ 0.0000576400000000, -0.0004019200000000, 0.0002405400000000 ] - [ -0.0001353100000000, -0.0004533600000000, 0.0009706500000000 ] - [ 0.0001325800000000, -0.0005978600000000, 0.0006131100000000 ] - [ -0.0000718300000000, -0.0008184300000000, 0.0001679800000000 ] - [ -0.0000410600000000, -0.0005984800000000, 0.0005459600000000 ] - [ 0.0000193700000000, -0.0006158200000000, 0.0005263400000000 ] - [ -0.0001039900000000, -0.0006008700000000, 0.0004488800000000 ] - [ 0.0001022500000000, 0.0005762700000000, -0.0008061900000000 ] - [ -0.0001487100000000, 0.0006379000000000, -0.0001906600000000 ] - [ 0.0002152300000000, 0.0006476300000000, -0.0003571000000000 ] - [ -0.0000297600000000, 0.0006419100000000, -0.0005563500000000 ] - [ 0.0000436900000000, 0.0006519600000000, -0.0004665300000000 ] - [ 0.0001148900000000, 0.0005697900000000, -0.0004495800000000 ] - [ -0.0000124300000000, 0.0006570400000000, -0.0005560700000000 ] - [ 0.0000264800000000, 0.0006317600000000, -0.0004863300000000 ] - [ 0.0001157700000000, 0.0006642900000000, -0.0004415000000000 ] - [ -0.0001406500000000, -0.0005897800000000, -0.0005601200000000 ] - [ 0.0002723400000000, -0.0009252200000000, -0.0005176300000000 ] - [ 0.0001991900000000, -0.0005358100000000, -0.0004335900000000 ] - [ -0.0006027700000000, -0.0007007600000000, -0.0005190000000000 ] - [ 0.0005462600000000, -0.0005701600000000, -0.0005151500000000 ] - [ 0.0003077800000000, -0.0007680500000000, -0.0003971900000000 ] - [ -0.0000722600000000, -0.0005971600000000, -0.0005310300000000 ] - [ 0.0000914000000000, -0.0006116900000000, -0.0004901600000000 ] - [ 0.0001142000000000, -0.0005991500000000, -0.0004606200000000 ] - [ 0.0003715500000000, 0.0006626200000000, -0.0002607200000000 ] - [ 0.0001821800000000, 0.0006088100000000, 0.0006564900000000 ] - [ -0.0004205400000000, 0.0005196700000000, 0.0002286500000000 ] - [ 0.0000131100000000, 0.0006692600000000, 0.0004281200000000 ] - [ 0.0000412500000000, 0.0006340300000000, 0.0005301000000000 ] - [ -0.0001706100000000, 0.0005371600000000, 0.0004488200000000 ] - [ -0.0000167400000000, 0.0006483200000000, 0.0004555000000000 ] - [ 0.0000453700000000, 0.0006422500000000, 0.0005410800000000 ] - [ -0.0001477600000000, 0.0007097400000000, 0.0004604900000000 ] - [ 0.0012758200000000, 0.0000847000000000, 0.0026496500000000 ] - [ -0.0001186300000000, 0.0001648500000000, 0.0003222500000000 ] - [ -0.0003556800000000, 0.0003223500000000, -0.0000196100000000 ] - [ -0.0001783400000000, 0.0001619500000000, 0.0002915200000000 ] - [ -0.0002397900000000, 0.0001680200000000, 0.0001594800000000 ] - [ -0.0002182500000000, 0.0002498700000000, 0.0001527300000000 ] - [ -0.0001848500000000, 0.0002105800000000, 0.0002618500000000 ] - [ -0.0002378000000000, 0.0002020000000000, 0.0001483100000000 ] - [ -0.0002542600000000, 0.0000530200000000, 0.0001174000000000 ] - [ 0.0003345500000000, 0.0004342400000000, 0.0000750800000000 ] - [ 0.0001420800000000, -0.0001629200000000, -0.0001909200000000 ] - [ 0.0000647100000000, -0.0007399400000000, -0.0003286300000000 ] - [ -0.0010053500000000, -0.0083993800000000, 0.0019933300000000 ] - [ 0.0000112900000000, -0.0004971800000000, -0.0001715500000000 ] - [ -0.0008676400000000, 0.0007503900000000, -0.0007526400000000 ] - [ 0.0003818700000000, -0.0006469500000000, -0.0000392400000000 ] - [ 0.0001587300000000, -0.0002982800000000, -0.0001659600000000 ] - [ 0.0002244300000000, -0.0001325500000000, -0.0001697800000000 ] - [ 0.0006991200000000, 0.0018422700000000, 0.0030311700000000 ] - [ 0.0000931800000000, 0.0001322500000000, -0.0004694200000000 ] - [ 0.0002351900000000, 0.0003090800000000, -0.0000489800000000 ] - [ 0.0002141900000000, 0.0001730700000000, -0.0001830700000000 ] - [ 0.0001790100000000, 0.0001797300000000, -0.0002314500000000 ] - [ 0.0002266900000000, 0.0002327100000000, -0.0001479900000000 ] - [ 0.0002370500000000, 0.0000779800000000, -0.0001107500000000 ] - [ 0.0001755000000000, 0.0002289500000000, -0.0002189600000000 ] - [ 0.0002340500000000, 0.0001377200000000, -0.0001793000000000 ] - [ 0.0000072400000000, -0.0004786700000000, 0.0005680300000000 ] - [ -0.0002750100000000, -0.0001041400000000, 0.0000633100000000 ] - [ -0.0002702600000000, -0.0003247300000000, 0.0000609700000000 ] - [ 0.0000786800000000, -0.0000613600000000, 0.0011630600000000 ] - [ -0.0003563900000000, -0.0001972700000000, -0.0001111100000000 ] - [ -0.0003330600000000, -0.0001303500000000, 0.0000868400000000 ] - [ -0.0001486900000000, -0.0002197900000000, 0.0001628000000000 ] - [ -0.0002473100000000, -0.0002375300000000, 0.0001068200000000 ] - [ -0.0002233200000000, -0.0001792600000000, 0.0001753100000000 ] - [ 0.0751786900000000, 0.0038319700000000, 0.0007003000000000 ] - [ -0.0015368700000000, -0.0004547400000000, 0.0000309400000000 ] - [ -0.0015566700000000, -0.0002659500000000, 0.0003080800000000 ] - [ 0.0012421500000000, -0.0002058800000000, -0.0000917100000000 ] - [ 0.0005566100000000, -0.0002859100000000, -0.0000566600000000 ] - [ 0.0006670000000000, -0.0001139600000000, 0.0000167000000000 ] - [ 0.0012428300000000, -0.0003449900000000, -0.0000684000000000 ] - [ 0.0006665400000000, -0.0001737100000000, -0.0000140800000000 ] - [ 0.0005563900000000, -0.0003231100000000, 0.0000072400000000 ] - [ -0.0007892700000000, 0.0002111400000000, 0.0003053700000000 ] - [ -0.0008437700000000, 0.0001768400000000, -0.0001111800000000 ] - [ -0.0008561900000000, -0.0000465700000000, -0.0004597700000000 ] - [ -0.0016033500000000, 0.0007116200000000, 0.0018880600000000 ] - [ -0.0009520200000000, 0.0001859900000000, -0.0001593200000000 ] - [ -0.0006106000000000, 0.0004051400000000, -0.0004422500000000 ] - [ -0.0007707900000000, 0.0001654800000000, 0.0000540600000000 ] - [ -0.0008023100000000, 0.0001654100000000, -0.0000626200000000 ] - [ -0.0006655000000000, 0.0001796800000000, 0.0000138500000000 ] - [ -0.0022637200000000, 0.0001840400000000, -0.0052622000000000 ] - [ -0.0012166100000000, -0.0001244800000000, -0.0001334300000000 ] - [ -0.0010196500000000, -0.0001882900000000, -0.0000743100000000 ] - [ -0.0005262900000000, -0.0002779400000000, -0.0001333800000000 ] - [ -0.0008223900000000, -0.0001895800000000, -0.0000745400000000 ] - [ -0.0007160000000000, -0.0001442100000000, 0.0000493100000000 ] - [ -0.0005264100000000, -0.0001824600000000, -0.0001085700000000 ] - [ -0.0008221700000000, -0.0001697900000000, -0.0000584800000000 ] - [ -0.0007158200000000, -0.0002390100000000, 0.0000604600000000 ] - [ 0.0007118000000000, 0.0001465600000000, 0.0002843200000000 ] - [ 0.0006695300000000, 0.0002488000000000, -0.0000880700000000 ] - [ 0.0006702500000000, 0.0001758300000000, -0.0001745500000000 ] - [ 0.0002857300000000, 0.0002750100000000, 0.0010662900000000 ] - [ 0.0006955200000000, 0.0001320900000000, -0.0000848700000000 ] - [ 0.0006994100000000, 0.0002415600000000, -0.0004016600000000 ] - [ 0.0007364100000000, 0.0001532000000000, 0.0001601800000000 ] - [ 0.0007071000000000, 0.0001744900000000, 0.0000038600000000 ] - [ 0.0007074800000000, 0.0001809400000000, -0.0000260000000000 ] - [ -0.0007539300000000, 0.0004623800000000, -0.0007772500000000 ] - [ -0.0007154300000000, 0.0002902400000000, -0.0001261000000000 ] - [ -0.0008315300000000, 0.0003762700000000, 0.0000477900000000 ] - [ 0.0001133400000000, -0.0013774400000000, -0.0014850300000000 ] - [ -0.0007071100000000, 0.0004683400000000, 0.0000232600000000 ] - [ -0.0009176300000000, 0.0002666900000000, -0.0000854200000000 ] - [ -0.0007695400000000, 0.0003872700000000, -0.0003802200000000 ] - [ -0.0007885200000000, 0.0003438000000000, -0.0002104300000000 ] - [ -0.0008114400000000, 0.0003218500000000, -0.0003732400000000 ] - [ -0.0051140500000000, -0.0014524600000000, -0.0051586900000000 ] - [ 0.0010331200000000, -0.0003453000000000, 0.0009597500000000 ] - [ 0.0012808100000000, -0.0003723800000000, -0.0002159200000000 ] - [ 0.0005375000000000, -0.0003602600000000, 0.0004720700000000 ] - [ 0.0008753600000000, -0.0002630200000000, 0.0004499600000000 ] - [ 0.0008401000000000, -0.0003816000000000, 0.0003086000000000 ] - [ 0.0005734200000000, -0.0001110400000000, 0.0005158700000000 ] - [ 0.0008604700000000, -0.0003816700000000, 0.0003269500000000 ] - [ 0.0008159200000000, -0.0002176400000000, 0.0003094600000000 ] - [ 0.0008148300000000, 0.0002058900000000, -0.0003298400000000 ] - [ 0.0008665500000000, 0.0003029300000000, 0.0003107800000000 ] - [ 0.0010469800000000, 0.0004475600000000, 0.0006893200000000 ] - [ 0.0011348400000000, 0.0007333800000000, -0.0034063900000000 ] - [ 0.0008843200000000, 0.0003648800000000, 0.0001786300000000 ] - [ 0.0009561300000000, 0.0000102900000000, 0.0013666000000000 ] - [ 0.0008447700000000, 0.0004028700000000, -0.0001018500000000 ] - [ 0.0008575600000000, 0.0003554700000000, 0.0002546000000000 ] - [ 0.0007778600000000, 0.0003193400000000, 0.0004186600000000 ] - [ -0.0684911500000000, 0.0030972600000000, 0.0040436600000000 ] - [ 0.0004658000000000, 0.0001247200000000, -0.0006955700000000 ] - [ 0.0032111100000000, -0.0003139900000000, 0.0000370700000000 ] - [ -0.0012229500000000, 0.0005383000000000, -0.0002224000000000 ] - [ -0.0006560700000000, -0.0002348400000000, -0.0002856200000000 ] - [ -0.0008191700000000, -0.0005516500000000, -0.0003828700000000 ] - [ -0.0013288000000000, -0.0004716800000000, -0.0000624000000000 ] - [ -0.0007615900000000, -0.0003101100000000, -0.0002550500000000 ] - [ -0.0007897200000000, 0.0001364500000000, -0.0004852200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001484400000000, -0.0005827200000000, 0.0007096900000000 ] - [ -0.0000662300000000, -0.0005958500000000, 0.0004792900000000 ] - [ -0.0001424800000000, -0.0005885300000000, 0.0005344500000000 ] - [ -0.0001362400000000, -0.0006654900000000, 0.0002369400000000 ] - [ -0.0000453700000000, -0.0006296500000000, 0.0005030300000000 ] - [ 0.0000961200000000, -0.0006252600000000, 0.0005273900000000 ] - [ -0.0000431000000000, -0.0007279700000000, 0.0004922900000000 ] - [ -0.0000492900000000, -0.0006701100000000, 0.0004901400000000 ] - [ -0.0000377900000000, -0.0006942100000000, 0.0005013400000000 ] - [ 0.0000621100000000, 0.0007804200000000, -0.0004508900000000 ] - [ 0.0000306000000000, 0.0006452500000000, -0.0005136300000000 ] - [ 0.0000329400000000, 0.0006992700000000, -0.0004924500000000 ] - [ 0.0000783000000000, 0.0005465500000000, -0.0004783900000000 ] - [ 0.0000087400000000, 0.0006017800000000, -0.0005045100000000 ] - [ 0.0000411300000000, 0.0006073100000000, -0.0004911800000000 ] - [ 0.0000236000000000, 0.0005526400000000, -0.0004968100000000 ] - [ 0.0000832100000000, 0.0005931800000000, -0.0004609800000000 ] - [ 0.0000268900000000, 0.0005827700000000, -0.0005029300000000 ] - [ 0.0006654100000000, 0.0099801700000000, 0.0007537000000000 ] - [ 0.0002160700000000, -0.0006144000000000, -0.0004512500000000 ] - [ 0.0000093400000000, -0.0005833400000000, -0.0005023400000000 ] - [ -0.0004866100000000, 0.0121728600000000, -0.0018517700000000 ] - [ -0.0003227100000000, -0.0005440800000000, -0.0006356900000000 ] - [ 0.0000752900000000, -0.0006217500000000, -0.0004915200000000 ] - [ 0.0000561400000000, -0.0008021900000000, -0.0004893100000000 ] - [ 0.0000445000000000, -0.0006908300000000, -0.0004988600000000 ] - [ 0.0000359400000000, -0.0006863500000000, -0.0004963600000000 ] - [ -0.0000078600000000, 0.0008395100000000, 0.0003707900000000 ] - [ -0.0000387700000000, 0.0006763400000000, 0.0004715700000000 ] - [ -0.0000561400000000, 0.0008046000000000, 0.0006133500000000 ] - [ -0.0001001600000000, 0.0004761300000000, 0.0005193600000000 ] - [ -0.0000429300000000, 0.0006163400000000, 0.0004913500000000 ] - [ 0.0000036400000000, 0.0005377100000000, 0.0005724500000000 ] - [ 0.0000046600000000, 0.0005384200000000, 0.0004898200000000 ] - [ -0.0000660800000000, 0.0005956500000000, 0.0004716700000000 ] - [ -0.0000712600000000, 0.0005284600000000, 0.0004198000000000 ] - [ 0.0000136300000000, -0.0004542300000000, 0.0000392500000000 ] - [ -0.0001768700000000, 0.0001273900000000, 0.0001956600000000 ] - [ -0.0002054600000000, -0.0000014700000000, 0.0001418600000000 ] - [ -0.0002170600000000, 0.0003650200000000, 0.0001254900000000 ] - [ -0.0001983700000000, 0.0002587200000000, 0.0001630400000000 ] - [ -0.0002260200000000, 0.0002742400000000, 0.0001436500000000 ] - [ -0.0002080600000000, 0.0002649200000000, 0.0002570500000000 ] - [ -0.0002215600000000, 0.0002115300000000, 0.0001690000000000 ] - [ -0.0001679100000000, 0.0002722800000000, 0.0001975400000000 ] - [ -0.0003722700000000, 0.0004974900000000, 0.0001400600000000 ] - [ 0.0002054000000000, -0.0002165000000000, -0.0001581800000000 ] - [ 0.0004481700000000, -0.0000597600000000, -0.0000664300000000 ] - [ 0.0053093000000000, 0.0007217800000000, -0.0011869500000000 ] - [ 0.0002957100000000, -0.0004014900000000, -0.0001090200000000 ] - [ -0.0000966000000000, -0.0003364000000000, -0.0002023700000000 ] - [ 0.0002637700000000, -0.0000460500000000, -0.0001639600000000 ] - [ 0.0002399200000000, -0.0001301000000000, -0.0001688500000000 ] - [ 0.0002092600000000, -0.0001091200000000, -0.0001710700000000 ] - [ -0.0000122600000000, 0.0000177000000000, -0.0008049500000000 ] - [ 0.0002207900000000, 0.0001262100000000, -0.0001698800000000 ] - [ 0.0002099400000000, 0.0000912400000000, -0.0001466100000000 ] - [ 0.0002235700000000, 0.0003352700000000, -0.0001117700000000 ] - [ 0.0002233400000000, 0.0002522100000000, -0.0001321500000000 ] - [ 0.0002032800000000, 0.0002675800000000, -0.0001720200000000 ] - [ 0.0001455400000000, 0.0002360900000000, -0.0003411200000000 ] - [ 0.0002107100000000, 0.0002046000000000, -0.0001817100000000 ] - [ 0.0002159300000000, 0.0002256500000000, -0.0001340000000000 ] - [ -0.0002480400000000, -0.0000060100000000, -0.0004038900000000 ] - [ -0.0002311500000000, -0.0002154600000000, 0.0001353800000000 ] - [ -0.0001752400000000, -0.0001652200000000, 0.0002767000000000 ] - [ -0.0005204000000000, -0.0009675600000000, 0.0033063400000000 ] - [ -0.0001789600000000, -0.0002783600000000, 0.0002597800000000 ] - [ -0.0002594800000000, -0.0003314200000000, 0.0000200300000000 ] - [ -0.0002293600000000, -0.0001431900000000, 0.0001748100000000 ] - [ -0.0002132100000000, -0.0001465400000000, 0.0001795000000000 ] - [ -0.0002229200000000, -0.0001421600000000, 0.0001636700000000 ] - [ -0.0032446300000000, -0.0350041100000000, 0.0000819800000000 ] - [ 0.0008083500000000, -0.0002579300000000, 0.0000871200000000 ] - [ 0.0009928800000000, -0.0002554600000000, 0.0000050900000000 ] - [ 0.0008956700000000, 0.0004775400000000, 0.0002252100000000 ] - [ 0.0008710500000000, -0.0001097100000000, 0.0000833200000000 ] - [ 0.0007210200000000, -0.0001498000000000, 0.0000225200000000 ] - [ 0.0007541400000000, 0.0004730800000000, -0.0001778800000000 ] - [ 0.0006632700000000, -0.0001495600000000, -0.0000079600000000 ] - [ 0.0008339300000000, -0.0001107100000000, 0.0000193400000000 ] - [ -0.0007586400000000, 0.0001346400000000, -0.0000756100000000 ] - [ -0.0007252500000000, 0.0001702300000000, -0.0000143200000000 ] - [ -0.0005033200000000, 0.0002347300000000, 0.0003873000000000 ] - [ -0.0012677800000000, 0.0000634200000000, 0.0006656800000000 ] - [ -0.0007360000000000, 0.0001694800000000, 0.0000276300000000 ] - [ -0.0009508100000000, 0.0000991400000000, -0.0004208500000000 ] - [ -0.0007148100000000, 0.0002620800000000, 0.0000066800000000 ] - [ -0.0007145000000000, 0.0002159100000000, -0.0000009100000000 ] - [ -0.0007278000000000, 0.0002398700000000, -0.0000072800000000 ] - [ -0.0003672800000000, -0.0016030900000000, -0.0000444700000000 ] - [ -0.0006744100000000, -0.0002143100000000, -0.0000611800000000 ] - [ -0.0007352900000000, -0.0003110900000000, -0.0000276300000000 ] - [ -0.0007309500000000, -0.0000844900000000, 0.0000353900000000 ] - [ -0.0007180500000000, -0.0001694900000000, -0.0000064700000000 ] - [ -0.0007874600000000, -0.0001447700000000, -0.0000370600000000 ] - [ -0.0008254700000000, -0.0000840500000000, -0.0001100600000000 ] - [ -0.0007376900000000, -0.0001692700000000, -0.0000205800000000 ] - [ -0.0006924500000000, -0.0001461200000000, -0.0000324200000000 ] - [ 0.0006946900000000, 0.0001315100000000, 0.0001272700000000 ] - [ 0.0007237700000000, 0.0001554500000000, 0.0000282700000000 ] - [ 0.0007972200000000, 0.0001549000000000, 0.0001279000000000 ] - [ 0.0008266500000000, 0.0001461100000000, -0.0001921500000000 ] - [ 0.0007883100000000, 0.0001614500000000, 0.0000384900000000 ] - [ 0.0006808700000000, 0.0001623700000000, -0.0000544800000000 ] - [ 0.0007016100000000, 0.0002476100000000, -0.0000043000000000 ] - [ 0.0007283500000000, 0.0002180000000000, 0.0000060900000000 ] - [ 0.0007224200000000, 0.0002178100000000, 0.0000102700000000 ] - [ -0.0007136300000000, 0.0004919500000000, 0.0001484000000000 ] - [ -0.0008256200000000, 0.0003429800000000, -0.0003044300000000 ] - [ -0.0008315500000000, 0.0003286100000000, -0.0006773300000000 ] - [ -0.0008188400000000, 0.0006689300000000, -0.0016243900000000 ] - [ -0.0008190800000000, 0.0003689100000000, -0.0003330700000000 ] - [ -0.0007839600000000, 0.0004672300000000, 0.0001084000000000 ] - [ -0.0007672200000000, 0.0001820700000000, -0.0003236200000000 ] - [ -0.0007996800000000, 0.0002700800000000, -0.0003184100000000 ] - [ -0.0007948200000000, 0.0002520100000000, -0.0003115700000000 ] - [ 0.0012813700000000, 0.0038704100000000, -0.0015991900000000 ] - [ 0.0007502200000000, -0.0002352100000000, 0.0003910100000000 ] - [ 0.0007936100000000, -0.0001558300000000, 0.0003396200000000 ] - [ 0.0008457300000000, -0.0003717100000000, -0.0000072500000000 ] - [ 0.0007994900000000, -0.0003658100000000, 0.0001752200000000 ] - [ 0.0008614400000000, -0.0003623500000000, 0.0002658800000000 ] - [ 0.0009211700000000, -0.0006268000000000, 0.0004855800000000 ] - [ 0.0008355900000000, -0.0003369100000000, 0.0003652500000000 ] - [ 0.0007885300000000, -0.0003888500000000, 0.0003297600000000 ] - [ 0.0008104300000000, 0.0003511000000000, -0.0003103000000000 ] - [ 0.0008295600000000, 0.0003373400000000, 0.0002903700000000 ] - [ 0.0006039600000000, 0.0003294100000000, 0.0001812700000000 ] - [ 0.0014469700000000, 0.0009378600000000, 0.0015187400000000 ] - [ 0.0007413800000000, 0.0003703700000000, 0.0001945000000000 ] - [ 0.0009967700000000, 0.0004493000000000, 0.0002993300000000 ] - [ 0.0007839900000000, 0.0001538500000000, 0.0003296200000000 ] - [ 0.0007957500000000, 0.0002618300000000, 0.0003202500000000 ] - [ 0.0007911700000000, 0.0002451300000000, 0.0003091200000000 ] - [ -0.0015845000000000, 0.0063934600000000, 0.0003121000000000 ] - [ -0.0010026800000000, -0.0001979100000000, -0.0003820900000000 ] - [ -0.0014525400000000, 0.0000684600000000, -0.0003846100000000 ] - [ -0.0010958300000000, -0.0004779200000000, -0.0002391400000000 ] - [ -0.0009196300000000, -0.0003423700000000, -0.0002620100000000 ] - [ -0.0007840600000000, -0.0004064800000000, -0.0002399700000000 ] - [ -0.0008850100000000, -0.0008234800000000, -0.0002324300000000 ] - [ -0.0007986000000000, -0.0003194500000000, -0.0003281300000000 ] - [ -0.0008785800000000, -0.0005530500000000, -0.0002798400000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002349700000000, -0.0006777300000000, 0.0002724000000000 ] - [ -0.0000184800000000, -0.0006637400000000, 0.0005046900000000 ] - [ 0.0000564900000000, -0.0006703100000000, 0.0004480900000000 ] - [ 0.0000520000000000, -0.0005922100000000, 0.0007475100000000 ] - [ -0.0000393200000000, -0.0006296400000000, 0.0004810000000000 ] - [ -0.0001828300000000, -0.0006343000000000, 0.0004559600000000 ] - [ -0.0000420500000000, -0.0005310900000000, 0.0004915800000000 ] - [ -0.0000360000000000, -0.0005892000000000, 0.0004938200000000 ] - [ -0.0000478800000000, -0.0005649200000000, 0.0004821400000000 ] - [ 0.0000193400000000, 0.0004781300000000, -0.0005330500000000 ] - [ 0.0000578800000000, 0.0006133200000000, -0.0004692200000000 ] - [ 0.0000534100000000, 0.0005598900000000, -0.0004904900000000 ] - [ 0.0000067800000000, 0.0007133600000000, -0.0005056400000000 ] - [ 0.0000768100000000, 0.0006578500000000, -0.0004792600000000 ] - [ 0.0000444400000000, 0.0006519800000000, -0.0004925100000000 ] - [ 0.0000613800000000, 0.0007066900000000, -0.0004872600000000 ] - [ 0.0000022800000000, 0.0006660400000000, -0.0005228500000000 ] - [ 0.0000587200000000, 0.0006767000000000, -0.0004807000000000 ] - [ -0.0006307300000000, -0.0116354000000000, -0.0017909700000000 ] - [ -0.0001298400000000, -0.0006462800000000, -0.0005325500000000 ] - [ 0.0000767300000000, -0.0006744800000000, -0.0004811600000000 ] - [ 0.0005165700000000, -0.0129376200000000, 0.0008070400000000 ] - [ 0.0004095900000000, -0.0007148000000000, -0.0003474900000000 ] - [ 0.0000103400000000, -0.0006397400000000, -0.0004917200000000 ] - [ 0.0000289100000000, -0.0004568300000000, -0.0004945800000000 ] - [ 0.0000410500000000, -0.0005684100000000, -0.0004847300000000 ] - [ 0.0000497800000000, -0.0005728600000000, -0.0004873700000000 ] - [ -0.0000758100000000, 0.0004186400000000, 0.0006147500000000 ] - [ -0.0000452300000000, 0.0005827200000000, 0.0005139700000000 ] - [ -0.0000253900000000, 0.0004532100000000, 0.0003928600000000 ] - [ 0.0000149200000000, 0.0007836300000000, 0.0004646400000000 ] - [ -0.0000422000000000, 0.0006432200000000, 0.0004926200000000 ] - [ -0.0000892100000000, 0.0007209600000000, 0.0004120400000000 ] - [ -0.0000900700000000, 0.0007210700000000, 0.0004941700000000 ] - [ -0.0000188200000000, 0.0006638500000000, 0.0005123200000000 ] - [ -0.0000143100000000, 0.0007311800000000, 0.0005642600000000 ] - [ -0.0004362700000000, 0.0008671100000000, 0.0002978400000000 ] - [ -0.0002537200000000, 0.0002820600000000, 0.0001271900000000 ] - [ -0.0002253100000000, 0.0004151300000000, 0.0001788000000000 ] - [ -0.0002124000000000, 0.0000431100000000, 0.0001991900000000 ] - [ -0.0002319500000000, 0.0001507900000000, 0.0001618900000000 ] - [ -0.0002032800000000, 0.0001354500000000, 0.0001809100000000 ] - [ -0.0002215600000000, 0.0001442400000000, 0.0000679600000000 ] - [ -0.0002090400000000, 0.0001976100000000, 0.0001563500000000 ] - [ -0.0002618700000000, 0.0001360200000000, 0.0001268200000000 ] - [ 0.0008032800000000, -0.0009136000000000, -0.0004663100000000 ] - [ 0.0002241800000000, -0.0001926900000000, -0.0001680300000000 ] - [ -0.0000186800000000, -0.0003491900000000, -0.0002589800000000 ] - [ -0.0048483400000000, -0.0011139500000000, 0.0008561600000000 ] - [ 0.0001338700000000, -0.0000097800000000, -0.0002176800000000 ] - [ 0.0005380600000000, -0.0000715400000000, -0.0001202800000000 ] - [ 0.0001670600000000, -0.0003646200000000, -0.0001613700000000 ] - [ 0.0001898500000000, -0.0002799400000000, -0.0001573800000000 ] - [ 0.0002208700000000, -0.0002997600000000, -0.0001545100000000 ] - [ 0.0004325400000000, 0.0003741500000000, 0.0004449500000000 ] - [ 0.0002083100000000, 0.0002842500000000, -0.0001573900000000 ] - [ 0.0002205300000000, 0.0003201800000000, -0.0001763400000000 ] - [ 0.0002070100000000, 0.0000728500000000, -0.0002136700000000 ] - [ 0.0002065600000000, 0.0001571800000000, -0.0001935200000000 ] - [ 0.0002271800000000, 0.0001419600000000, -0.0001539800000000 ] - [ 0.0002850500000000, 0.0001741100000000, 0.0000171900000000 ] - [ 0.0002180300000000, 0.0002045600000000, -0.0001430000000000 ] - [ 0.0002144800000000, 0.0001836100000000, -0.0001914700000000 ] - [ -0.0001816300000000, -0.0004060700000000, 0.0007313300000000 ] - [ -0.0001996500000000, -0.0001935000000000, 0.0001909400000000 ] - [ -0.0002546100000000, -0.0002445500000000, 0.0000484700000000 ] - [ 0.0000877300000000, 0.0005693400000000, -0.0029533100000000 ] - [ -0.0002513300000000, -0.0001303700000000, 0.0000643900000000 ] - [ -0.0001705000000000, -0.0000765000000000, 0.0003075000000000 ] - [ -0.0002008700000000, -0.0002665900000000, 0.0001508300000000 ] - [ -0.0002167900000000, -0.0002620300000000, 0.0001450800000000 ] - [ -0.0002062000000000, -0.0002673500000000, 0.0001616900000000 ] - [ 0.0050358400000000, 0.0345532100000000, 0.0001022800000000 ] - [ 0.0006486300000000, -0.0001097100000000, -0.0000582600000000 ] - [ 0.0004533000000000, -0.0001082300000000, 0.0000312600000000 ] - [ 0.0005721300000000, -0.0008424300000000, -0.0001953700000000 ] - [ 0.0005932000000000, -0.0002587000000000, -0.0000556700000000 ] - [ 0.0007423900000000, -0.0002183100000000, 0.0000059700000000 ] - [ 0.0007112600000000, -0.0008462800000000, 0.0002081500000000 ] - [ 0.0008011300000000, -0.0002186600000000, 0.0000359600000000 ] - [ 0.0006295800000000, -0.0002589200000000, 0.0000090000000000 ] - [ -0.0007049500000000, 0.0002340600000000, 0.0000470400000000 ] - [ -0.0007393200000000, 0.0001983500000000, -0.0000146500000000 ] - [ -0.0009620700000000, 0.0001326900000000, -0.0004175400000000 ] - [ -0.0001967400000000, 0.0003033300000000, -0.0006920900000000 ] - [ -0.0007306900000000, 0.0001989600000000, -0.0000578000000000 ] - [ -0.0005115500000000, 0.0002700100000000, 0.0003940200000000 ] - [ -0.0007500600000000, 0.0001060600000000, -0.0000351300000000 ] - [ -0.0007506300000000, 0.0001520400000000, -0.0000273700000000 ] - [ -0.0007362000000000, 0.0001282300000000, -0.0000216100000000 ] - [ -0.0011044500000000, 0.0012342500000000, -0.0000049200000000 ] - [ -0.0007918600000000, -0.0001533200000000, 0.0000297400000000 ] - [ -0.0007269700000000, -0.0000557700000000, -0.0000006500000000 ] - [ -0.0007328800000000, -0.0002851400000000, -0.0000641400000000 ] - [ -0.0007463500000000, -0.0001986800000000, -0.0000231400000000 ] - [ -0.0006768600000000, -0.0002228000000000, 0.0000089600000000 ] - [ -0.0006382800000000, -0.0002845000000000, 0.0000828900000000 ] - [ -0.0007261400000000, -0.0001988900000000, -0.0000081600000000 ] - [ -0.0007713400000000, -0.0002231300000000, 0.0000042300000000 ] - [ 0.0007705900000000, 0.0002367600000000, -0.0000990200000000 ] - [ 0.0007398100000000, 0.0002133200000000, -0.0000000600000000 ] - [ 0.0006666500000000, 0.0002130900000000, -0.0001001700000000 ] - [ 0.0006417500000000, 0.0002214900000000, 0.0002221200000000 ] - [ 0.0006738200000000, 0.0002065600000000, -0.0000112300000000 ] - [ 0.0007839200000000, 0.0002071800000000, 0.0000826800000000 ] - [ 0.0007626800000000, 0.0001205200000000, 0.0000329400000000 ] - [ 0.0007349000000000, 0.0001501800000000, 0.0000222600000000 ] - [ 0.0007412600000000, 0.0001500000000000, 0.0000174700000000 ] - [ -0.0009102800000000, 0.0001458200000000, -0.0007455700000000 ] - [ -0.0007965900000000, 0.0002977900000000, -0.0002908600000000 ] - [ -0.0007915700000000, 0.0003128900000000, 0.0000834400000000 ] - [ -0.0008103200000000, -0.0000073700000000, 0.0010177000000000 ] - [ -0.0008030700000000, 0.0002720500000000, -0.0002617600000000 ] - [ -0.0008396500000000, 0.0001718400000000, -0.0007054000000000 ] - [ -0.0008563300000000, 0.0004596200000000, -0.0002720200000000 ] - [ -0.0008232100000000, 0.0003712400000000, -0.0002772400000000 ] - [ -0.0008283700000000, 0.0003894100000000, -0.0002839200000000 ] - [ 0.0003442400000000, -0.0044970900000000, 0.0021519800000000 ] - [ 0.0008736100000000, -0.0004067100000000, 0.0002062900000000 ] - [ 0.0008307100000000, -0.0004879700000000, 0.0002454300000000 ] - [ 0.0007764400000000, -0.0002679000000000, 0.0006011300000000 ] - [ 0.0008236900000000, -0.0002755400000000, 0.0004204900000000 ] - [ 0.0007618600000000, -0.0002791200000000, 0.0003298800000000 ] - [ 0.0007009600000000, -0.0000124600000000, 0.0001081400000000 ] - [ 0.0007875500000000, -0.0003047700000000, 0.0002298900000000 ] - [ 0.0008344700000000, -0.0002519200000000, 0.0002658800000000 ] - [ 0.0008108200000000, 0.0002896600000000, 0.0009083300000000 ] - [ 0.0007938900000000, 0.0003037700000000, 0.0003065600000000 ] - [ 0.0010208200000000, 0.0003126900000000, 0.0004163300000000 ] - [ 0.0001781300000000, -0.0002962100000000, -0.0009281500000000 ] - [ 0.0008825600000000, 0.0002714700000000, 0.0004020000000000 ] - [ 0.0006255500000000, 0.0001871800000000, 0.0002952600000000 ] - [ 0.0008391800000000, 0.0004882800000000, 0.0002651400000000 ] - [ 0.0008276200000000, 0.0003793700000000, 0.0002757100000000 ] - [ 0.0008318100000000, 0.0003962800000000, 0.0002876600000000 ] - [ -0.0002943800000000, -0.0070680300000000, -0.0008916200000000 ] - [ -0.0006181700000000, -0.0004432500000000, -0.0002122000000000 ] - [ -0.0001564500000000, -0.0007335600000000, -0.0002079700000000 ] - [ -0.0005291500000000, -0.0001612400000000, -0.0003558500000000 ] - [ -0.0007034000000000, -0.0002986900000000, -0.0003328500000000 ] - [ -0.0008384500000000, -0.0002347400000000, -0.0003564300000000 ] - [ -0.0007368200000000, 0.0001853600000000, -0.0003641000000000 ] - [ -0.0008244100000000, -0.0003216600000000, -0.0002676600000000 ] - [ -0.0007436400000000, -0.0000878900000000, -0.0003162700000000 ]- atom: 73 displacement: [ -0.0037270334771818, 0.0000000000000000, 0.0092795054534154 ] forces: - [ -0.0001661200000000, -0.0004519100000000, 0.0006475900000000 ] - [ -0.0000608700000000, -0.0006283200000000, 0.0004882200000000 ] - [ 0.0001499400000000, -0.0004694100000000, 0.0005045000000000 ] - [ -0.0002833200000000, -0.0008191100000000, 0.0009795600000000 ] - [ -0.0000560200000000, -0.0006323100000000, 0.0005178300000000 ] - [ 0.0002318900000000, -0.0007022400000000, 0.0005385300000000 ] - [ -0.0000778500000000, -0.0006205000000000, 0.0005360200000000 ] - [ -0.0000471500000000, -0.0006305800000000, 0.0004958600000000 ] - [ -0.0000041300000000, -0.0006348700000000, 0.0005078400000000 ] - [ 0.0008428300000000, 0.0007277600000000, -0.0011237400000000 ] - [ -0.0006624300000000, 0.0007626300000000, -0.0005048000000000 ] - [ 0.0000005000000000, 0.0006458300000000, -0.0005404100000000 ] - [ 0.0001166400000000, 0.0005247100000000, -0.0005148400000000 ] - [ -0.0000114100000000, 0.0005696600000000, -0.0004926800000000 ] - [ 0.0000262400000000, 0.0006346000000000, -0.0005060500000000 ] - [ 0.0001127300000000, 0.0006352700000000, -0.0005180600000000 ] - [ 0.0000085100000000, 0.0006397100000000, -0.0004991000000000 ] - [ 0.0000180200000000, 0.0006122800000000, -0.0005145000000000 ] - [ -0.0000165000000000, -0.0005777400000000, -0.0004618600000000 ] - [ 0.0002072400000000, -0.0007710500000000, -0.0005002500000000 ] - [ 0.0000369500000000, -0.0005897700000000, -0.0004930100000000 ] - [ -0.0002955500000000, -0.0010757300000000, -0.0003561400000000 ] - [ 0.0003300500000000, -0.0005879300000000, -0.0006401100000000 ] - [ 0.0000646500000000, -0.0006568800000000, -0.0004846300000000 ] - [ 0.0000228000000000, -0.0006298300000000, -0.0004626700000000 ] - [ 0.0000687700000000, -0.0006314400000000, -0.0004977500000000 ] - [ 0.0000389100000000, -0.0006411700000000, -0.0004906400000000 ] - [ 0.0005752800000000, 0.0008799900000000, -0.0007809300000000 ] - [ -0.0000765000000000, 0.0006303100000000, 0.0004893100000000 ] - [ 0.0000247100000000, 0.0008726600000000, 0.0033170600000000 ] - [ -0.0000436900000000, 0.0005043200000000, 0.0004223900000000 ] - [ -0.0000548500000000, 0.0006260000000000, 0.0004802500000000 ] - [ -0.0000338000000000, 0.0006907600000000, 0.0004746700000000 ] - [ -0.0000176500000000, 0.0006266200000000, 0.0004334000000000 ] - [ -0.0000703800000000, 0.0006294100000000, 0.0004722500000000 ] - [ -0.0000251300000000, 0.0005721400000000, 0.0004932700000000 ] - [ -0.0027040700000000, -0.0009378100000000, 0.0032431900000000 ] - [ 0.0000175500000000, 0.0002868600000000, 0.0005363400000000 ] - [ 0.0001126700000000, 0.0002078800000000, -0.0000858500000000 ] - [ -0.0002598500000000, 0.0002233200000000, 0.0002356400000000 ] - [ -0.0001927800000000, 0.0002300200000000, 0.0002006300000000 ] - [ -0.0002057900000000, 0.0001948600000000, 0.0001327900000000 ] - [ -0.0002950200000000, 0.0002957000000000, 0.0002089300000000 ] - [ -0.0002015900000000, 0.0001962500000000, 0.0002025600000000 ] - [ -0.0001493300000000, 0.0003272800000000, 0.0001086200000000 ] - [ 0.0000415100000000, 0.0004867600000000, -0.0000455600000000 ] - [ 0.0002128600000000, -0.0001999900000000, -0.0001030700000000 ] - [ 0.0002592400000000, -0.0002172400000000, -0.0002323900000000 ] - [ -0.0010175400000000, -0.0060663700000000, 0.0011666100000000 ] - [ 0.0002236600000000, -0.0004759700000000, 0.0000134900000000 ] - [ 0.0000697900000000, 0.0000651500000000, -0.0004729400000000 ] - [ 0.0003119000000000, -0.0005033200000000, -0.0000626000000000 ] - [ 0.0002073500000000, -0.0002408400000000, -0.0001334700000000 ] - [ 0.0002239400000000, -0.0001875400000000, -0.0001763000000000 ] - [ 0.0022902700000000, 0.0050342600000000, 0.0098007800000000 ] - [ 0.0003058600000000, 0.0001210500000000, -0.0002956800000000 ] - [ 0.0001724100000000, 0.0001651000000000, 0.0002259900000000 ] - [ 0.0001490000000000, 0.0003216600000000, -0.0002463900000000 ] - [ 0.0002288800000000, 0.0002089800000000, -0.0001807200000000 ] - [ 0.0002027400000000, 0.0002151100000000, -0.0001417700000000 ] - [ 0.0001613500000000, -0.0000416500000000, -0.0002543300000000 ] - [ 0.0002482100000000, 0.0001522800000000, -0.0001812400000000 ] - [ 0.0001973800000000, 0.0002400400000000, -0.0000872200000000 ] - [ -0.0001119700000000, -0.0004396300000000, 0.0003465800000000 ] - [ -0.0001945600000000, -0.0002197300000000, 0.0001286800000000 ] - [ -0.0002107700000000, -0.0001586100000000, 0.0002978200000000 ] - [ -0.0003492000000000, 0.0020614300000000, 0.0017548600000000 ] - [ -0.0002003700000000, -0.0001523200000000, 0.0000459900000000 ] - [ -0.0002425700000000, -0.0001268700000000, 0.0003797100000000 ] - [ -0.0001610200000000, -0.0000208400000000, 0.0000921400000000 ] - [ -0.0002095100000000, -0.0002028100000000, 0.0001485000000000 ] - [ -0.0002241100000000, -0.0001780900000000, 0.0001781700000000 ] - [ 0.0283888700000000, 0.0012944600000000, -0.0360878600000000 ] - [ -0.0003913300000000, -0.0002994800000000, 0.0002187200000000 ] - [ -0.0001390300000000, -0.0001475000000000, 0.0003213200000000 ] - [ 0.0009988100000000, -0.0003755400000000, -0.0002841800000000 ] - [ 0.0006706400000000, -0.0002198000000000, 0.0000123600000000 ] - [ 0.0007311500000000, -0.0001807700000000, 0.0000033400000000 ] - [ 0.0010211400000000, -0.0000489800000000, -0.0002750600000000 ] - [ 0.0007030600000000, -0.0001750400000000, -0.0000077800000000 ] - [ 0.0007300200000000, -0.0001729000000000, 0.0000357900000000 ] - [ -0.0010508100000000, 0.0001385600000000, 0.0003473300000000 ] - [ -0.0006808800000000, 0.0001839200000000, 0.0000115000000000 ] - [ -0.0003625600000000, 0.0004754200000000, 0.0003970800000000 ] - [ -0.0028401800000000, 0.0010211800000000, 0.0028346000000000 ] - [ -0.0006768400000000, 0.0002271900000000, 0.0000322600000000 ] - [ -0.0002871300000000, -0.0001108100000000, 0.0004884700000000 ] - [ -0.0008084300000000, 0.0001988700000000, 0.0000984000000000 ] - [ -0.0007106400000000, 0.0001917000000000, 0.0000020600000000 ] - [ -0.0007313600000000, 0.0001912100000000, 0.0000155000000000 ] - [ 0.0035753800000000, -0.0000309600000000, 0.0007216700000000 ] - [ -0.0008008200000000, -0.0001220500000000, 0.0000659600000000 ] - [ -0.0007815400000000, -0.0001751300000000, 0.0000423100000000 ] - [ -0.0005631900000000, -0.0001317400000000, -0.0002352700000000 ] - [ -0.0007221400000000, -0.0001827900000000, -0.0000177600000000 ] - [ -0.0007928200000000, -0.0001543100000000, -0.0000635900000000 ] - [ -0.0005400600000000, -0.0002321200000000, -0.0002258200000000 ] - [ -0.0007071200000000, -0.0001893100000000, -0.0000118900000000 ] - [ -0.0007825000000000, -0.0001852300000000, -0.0000590900000000 ] - [ 0.0004684900000000, 0.0000658300000000, 0.0003816400000000 ] - [ 0.0008822300000000, 0.0001043500000000, 0.0001137000000000 ] - [ 0.0008016200000000, 0.0001697200000000, 0.0000820100000000 ] - [ -0.0004278900000000, 0.0004156600000000, 0.0013201000000000 ] - [ 0.0011027200000000, 0.0002301800000000, 0.0001410000000000 ] - [ 0.0008084500000000, 0.0001846200000000, 0.0000237800000000 ] - [ 0.0005939000000000, 0.0001924700000000, 0.0001392100000000 ] - [ 0.0007577700000000, 0.0001859500000000, 0.0000362300000000 ] - [ 0.0007296800000000, 0.0001926300000000, 0.0000249900000000 ] - [ -0.0006004100000000, 0.0009707900000000, -0.0008113800000000 ] - [ -0.0009412400000000, 0.0003531700000000, -0.0002810400000000 ] - [ -0.0008114000000000, 0.0003067600000000, -0.0008139200000000 ] - [ 0.0010545600000000, -0.0047676300000000, -0.0022252700000000 ] - [ -0.0009877500000000, 0.0004649800000000, -0.0002142500000000 ] - [ -0.0007895800000000, 0.0002784300000000, -0.0008430800000000 ] - [ -0.0006284200000000, 0.0003437500000000, -0.0005326700000000 ] - [ -0.0008237300000000, 0.0003294500000000, -0.0003013800000000 ] - [ -0.0008070700000000, 0.0002963900000000, -0.0003400600000000 ] - [ -0.0032127100000000, -0.0035776800000000, 0.0099451500000000 ] - [ 0.0006877900000000, -0.0003659900000000, 0.0007224600000000 ] - [ 0.0009919400000000, -0.0004184000000000, -0.0004303200000000 ] - [ 0.0005875500000000, -0.0007199400000000, 0.0007966800000000 ] - [ 0.0008016500000000, -0.0003185700000000, 0.0003790800000000 ] - [ 0.0008528300000000, -0.0003361600000000, 0.0002778800000000 ] - [ 0.0005179000000000, -0.0001931700000000, 0.0008655900000000 ] - [ 0.0007957900000000, -0.0003048000000000, 0.0003744900000000 ] - [ 0.0008357700000000, -0.0003839200000000, 0.0002487800000000 ] - [ 0.0011727000000000, -0.0000057900000000, -0.0004731200000000 ] - [ 0.0007819200000000, 0.0003461000000000, 0.0001107900000000 ] - [ 0.0004519100000000, 0.0002680700000000, 0.0004269500000000 ] - [ 0.0023968200000000, 0.0024176400000000, -0.0030997800000000 ] - [ 0.0006813000000000, 0.0001811200000000, -0.0000824300000000 ] - [ 0.0004546900000000, 0.0002611100000000, 0.0005851600000000 ] - [ 0.0009009100000000, 0.0003181300000000, -0.0000331800000000 ] - [ 0.0007932700000000, 0.0003097700000000, 0.0002406400000000 ] - [ 0.0008167300000000, 0.0003008900000000, 0.0002912400000000 ] - [ -0.0279343800000000, 0.0025477700000000, 0.0080753200000000 ] - [ -0.0003940500000000, -0.0000014900000000, -0.0008779000000000 ] - [ 0.0000329700000000, -0.0005378200000000, 0.0004289000000000 ] - [ -0.0010288700000000, 0.0002422900000000, -0.0001503400000000 ] - [ -0.0007728400000000, -0.0002845700000000, -0.0003386500000000 ] - [ -0.0008274300000000, -0.0003527500000000, -0.0001990600000000 ] - [ -0.0011818000000000, -0.0005665200000000, -0.0000091600000000 ] - [ -0.0008155300000000, -0.0002942100000000, -0.0003274200000000 ] - [ -0.0007982700000000, -0.0003348600000000, -0.0001926100000000 ]- atom: 73 displacement: [ 0.0037270334771818, 0.0000000000000000, -0.0092795054534154 ] forces: - [ 0.0000817800000000, -0.0008090900000000, 0.0003388100000000 ] - [ -0.0000236200000000, -0.0006300600000000, 0.0004966800000000 ] - [ -0.0002327600000000, -0.0007872900000000, 0.0004803200000000 ] - [ 0.0001978600000000, -0.0004364300000000, 0.0000095700000000 ] - [ -0.0000282000000000, -0.0006261300000000, 0.0004671000000000 ] - [ -0.0003146500000000, -0.0005567800000000, 0.0004473900000000 ] - [ -0.0000071200000000, -0.0006381800000000, 0.0004489300000000 ] - [ -0.0000375000000000, -0.0006283200000000, 0.0004889400000000 ] - [ -0.0000799900000000, -0.0006238600000000, 0.0004770900000000 ] - [ -0.0007492100000000, 0.0005321700000000, 0.0001370300000000 ] - [ 0.0007427600000000, 0.0004967300000000, -0.0004766300000000 ] - [ 0.0000842300000000, 0.0006130000000000, -0.0004441900000000 ] - [ -0.0000312800000000, 0.0007326900000000, -0.0004699100000000 ] - [ 0.0000954300000000, 0.0006886000000000, -0.0004922000000000 ] - [ 0.0000584000000000, 0.0006240600000000, -0.0004788800000000 ] - [ -0.0000274900000000, 0.0006233000000000, -0.0004667300000000 ] - [ 0.0000757600000000, 0.0006185900000000, -0.0004854900000000 ] - [ 0.0000665200000000, 0.0006461200000000, -0.0004702900000000 ] - [ 0.0001018000000000, -0.0006507100000000, -0.0005098600000000 ] - [ -0.0001218000000000, -0.0004881900000000, -0.0004847200000000 ] - [ 0.0000478000000000, -0.0006678300000000, -0.0004916900000000 ] - [ 0.0003733100000000, -0.0002153000000000, -0.0006149300000000 ] - [ -0.0002429400000000, -0.0006696400000000, -0.0003451100000000 ] - [ 0.0000200900000000, -0.0006023000000000, -0.0004998600000000 ] - [ 0.0000617800000000, -0.0006287800000000, -0.0005217400000000 ] - [ 0.0000159000000000, -0.0006271300000000, -0.0004869200000000 ] - [ 0.0000457800000000, -0.0006176200000000, -0.0004942500000000 ] - [ -0.0006594800000000, 0.0003809400000000, 0.0017582700000000 ] - [ -0.0000076600000000, 0.0006281600000000, 0.0004958300000000 ] - [ -0.0001558400000000, 0.0003769800000000, -0.0024779700000000 ] - [ -0.0000412800000000, 0.0007533100000000, 0.0005617800000000 ] - [ -0.0000297700000000, 0.0006328700000000, 0.0005043800000000 ] - [ -0.0000505700000000, 0.0005684900000000, 0.0005093500000000 ] - [ -0.0000667800000000, 0.0006318400000000, 0.0005509700000000 ] - [ -0.0000142900000000, 0.0006288100000000, 0.0005123000000000 ] - [ -0.0000591100000000, 0.0006857700000000, 0.0004911700000000 ] - [ 0.0023366600000000, 0.0013609200000000, -0.0029656700000000 ] - [ -0.0004448700000000, 0.0001249800000000, -0.0002082600000000 ] - [ -0.0005399200000000, 0.0002046100000000, 0.0004035500000000 ] - [ -0.0001700400000000, 0.0001885000000000, 0.0000902300000000 ] - [ -0.0002370600000000, 0.0001811900000000, 0.0001252700000000 ] - [ -0.0002239000000000, 0.0002162100000000, 0.0001921200000000 ] - [ -0.0001350800000000, 0.0001142700000000, 0.0001174400000000 ] - [ -0.0002281300000000, 0.0002140700000000, 0.0001219400000000 ] - [ -0.0002802800000000, 0.0000843700000000, 0.0002164800000000 ] - [ 0.0003865900000000, -0.0008915200000000, -0.0002748800000000 ] - [ 0.0002177300000000, -0.0002110500000000, -0.0002224700000000 ] - [ 0.0001724300000000, -0.0001923500000000, -0.0000919600000000 ] - [ 0.0014550700000000, 0.0056258100000000, -0.0014731500000000 ] - [ 0.0002070100000000, 0.0000625000000000, -0.0003374800000000 ] - [ 0.0003648200000000, -0.0004726100000000, 0.0001460600000000 ] - [ 0.0001181400000000, 0.0000913000000000, -0.0002622800000000 ] - [ 0.0002227200000000, -0.0001702600000000, -0.0001915600000000 ] - [ 0.0002062500000000, -0.0002228100000000, -0.0001480300000000 ] - [ -0.0018478300000000, -0.0045811900000000, -0.0100033700000000 ] - [ 0.0001245900000000, 0.0002889100000000, -0.0000308100000000 ] - [ 0.0002573200000000, 0.0002456900000000, -0.0005501500000000 ] - [ 0.0002806000000000, 0.0000895200000000, -0.0000799900000000 ] - [ 0.0002013500000000, 0.0002016300000000, -0.0001441100000000 ] - [ 0.0002273000000000, 0.0001955600000000, -0.0001829300000000 ] - [ 0.0002681700000000, 0.0004501600000000, -0.0000734700000000 ] - [ 0.0001817700000000, 0.0002575900000000, -0.0001434600000000 ] - [ 0.0002324200000000, 0.0001706300000000, -0.0002375200000000 ] - [ -0.0003170700000000, 0.0000310300000000, -0.0000215000000000 ] - [ -0.0002358000000000, -0.0001902400000000, 0.0001955200000000 ] - [ -0.0002188400000000, -0.0002518400000000, 0.0000282700000000 ] - [ -0.0000776700000000, -0.0024531000000000, -0.0014083100000000 ] - [ -0.0002304200000000, -0.0002586200000000, 0.0002777700000000 ] - [ -0.0001874900000000, -0.0002822200000000, -0.0000516200000000 ] - [ -0.0002686400000000, -0.0003878400000000, 0.0002320800000000 ] - [ -0.0002203600000000, -0.0002076800000000, 0.0001757400000000 ] - [ -0.0002057900000000, -0.0002324200000000, 0.0001474600000000 ] - [ -0.0275532800000000, -0.0017668900000000, 0.0353611200000000 ] - [ 0.0018430900000000, -0.0000699400000000, -0.0001902600000000 ] - [ 0.0015923600000000, -0.0002202700000000, -0.0002898400000000 ] - [ 0.0004639900000000, 0.0000020300000000, 0.0003048000000000 ] - [ 0.0007918200000000, -0.0001495300000000, 0.0000122300000000 ] - [ 0.0007313700000000, -0.0001881200000000, 0.0000203900000000 ] - [ 0.0004426000000000, -0.0003160100000000, 0.0002962300000000 ] - [ 0.0007590500000000, -0.0001945200000000, 0.0000314600000000 ] - [ 0.0007333000000000, -0.0001958000000000, -0.0000116700000000 ] - [ -0.0004130700000000, 0.0002287100000000, -0.0003700200000000 ] - [ -0.0007812900000000, 0.0001851000000000, -0.0000353500000000 ] - [ -0.0010985400000000, -0.0001037100000000, -0.0004159000000000 ] - [ 0.0013707000000000, -0.0006416600000000, -0.0028309700000000 ] - [ -0.0007849600000000, 0.0001423000000000, -0.0000571600000000 ] - [ -0.0011732900000000, 0.0004774100000000, -0.0005057700000000 ] - [ -0.0006541400000000, 0.0001701000000000, -0.0001220900000000 ] - [ -0.0007514700000000, 0.0001777300000000, -0.0000260100000000 ] - [ -0.0007315800000000, 0.0001778400000000, -0.0000399700000000 ] - [ -0.0050500100000000, -0.0003387400000000, -0.0007454300000000 ] - [ -0.0006628400000000, -0.0002461300000000, -0.0000890100000000 ] - [ -0.0006750200000000, -0.0001943600000000, -0.0000689100000000 ] - [ -0.0008979400000000, -0.0002376400000000, 0.0002096800000000 ] - [ -0.0007403000000000, -0.0001860700000000, -0.0000061200000000 ] - [ -0.0006702200000000, -0.0002141100000000, 0.0000383900000000 ] - [ -0.0009209700000000, -0.0001369500000000, 0.0002005300000000 ] - [ -0.0007552900000000, -0.0001798600000000, -0.0000121600000000 ] - [ -0.0006802500000000, -0.0001837700000000, 0.0000345900000000 ] - [ 0.0009924700000000, 0.0003010300000000, -0.0003548400000000 ] - [ 0.0005819900000000, 0.0002642500000000, -0.0000886100000000 ] - [ 0.0006612900000000, 0.0001988800000000, -0.0000564000000000 ] - [ 0.0018809900000000, -0.0000408500000000, -0.0012901300000000 ] - [ 0.0003623900000000, 0.0001386500000000, -0.0001170100000000 ] - [ 0.0006546300000000, 0.0001848600000000, 0.0000012300000000 ] - [ 0.0008677000000000, 0.0001766500000000, -0.0001148700000000 ] - [ 0.0007056700000000, 0.0001831500000000, -0.0000116800000000 ] - [ 0.0007327600000000, 0.0001762300000000, -0.0000006600000000 ] - [ -0.0010213000000000, -0.0003236600000000, 0.0002115800000000 ] - [ -0.0006828900000000, 0.0002888800000000, -0.0003183800000000 ] - [ -0.0008108900000000, 0.0003346200000000, 0.0002106800000000 ] - [ -0.0026644200000000, 0.0053658200000000, 0.0016209900000000 ] - [ -0.0006354500000000, 0.0001777900000000, -0.0003834500000000 ] - [ -0.0008327200000000, 0.0003625100000000, 0.0002371700000000 ] - [ -0.0009927100000000, 0.0002978400000000, -0.0000686500000000 ] - [ -0.0007991000000000, 0.0003121600000000, -0.0002977200000000 ] - [ -0.0008149800000000, 0.0003449600000000, -0.0002601400000000 ] - [ 0.0048843900000000, 0.0029611900000000, -0.0086262700000000 ] - [ 0.0009353600000000, -0.0002762200000000, -0.0001215300000000 ] - [ 0.0006298200000000, -0.0002239700000000, 0.0010205600000000 ] - [ 0.0010332500000000, 0.0000740700000000, -0.0001907800000000 ] - [ 0.0008211000000000, -0.0003229800000000, 0.0002205200000000 ] - [ 0.0007704100000000, -0.0003049800000000, 0.0003223600000000 ] - [ 0.0011030300000000, -0.0004500100000000, -0.0002592100000000 ] - [ 0.0008266200000000, -0.0003371600000000, 0.0002259400000000 ] - [ 0.0007873200000000, -0.0002583100000000, 0.0003515900000000 ] - [ 0.0004503700000000, 0.0006489400000000, 0.0010654000000000 ] - [ 0.0008392800000000, 0.0002959400000000, 0.0004887500000000 ] - [ 0.0011678800000000, 0.0003726100000000, 0.0001710900000000 ] - [ -0.0007670100000000, -0.0017819400000000, 0.0036656600000000 ] - [ 0.0009395200000000, 0.0004591000000000, 0.0006801700000000 ] - [ 0.0011646200000000, 0.0003794600000000, 0.0000136100000000 ] - [ 0.0007217100000000, 0.0003232900000000, 0.0006324100000000 ] - [ 0.0008284500000000, 0.0003312300000000, 0.0003594600000000 ] - [ 0.0008059000000000, 0.0003402300000000, 0.0003082400000000 ] - [ 0.0268466100000000, -0.0031187800000000, -0.0086491000000000 ] - [ -0.0012260400000000, -0.0006370300000000, 0.0002719700000000 ] - [ -0.0016539700000000, -0.0001103100000000, -0.0010122800000000 ] - [ -0.0005917400000000, -0.0008804000000000, -0.0004498600000000 ] - [ -0.0008490600000000, -0.0003561200000000, -0.0002627300000000 ] - [ -0.0007946700000000, -0.0002886100000000, -0.0003997800000000 ] - [ -0.0004420300000000, -0.0000782800000000, -0.0005899800000000 ] - [ -0.0008059100000000, -0.0003458800000000, -0.0002726700000000 ] - [ -0.0008240800000000, -0.0003085800000000, -0.0004069800000000 ]- atom: 109 displacement: [ 0.0099999580557189, 0.0000000000000000, 0.0000289634918988 ] forces: - [ 0.0005023900000000, -0.0005926000000000, -0.0012177500000000 ] - [ 0.0001448900000000, -0.0005779200000000, 0.0005719800000000 ] - [ 0.0004008100000000, -0.0005653500000000, 0.0021355800000000 ] - [ -0.0000600300000000, -0.0006869700000000, 0.0004331800000000 ] - [ 0.0000327700000000, -0.0006413000000000, 0.0005297900000000 ] - [ -0.0000916700000000, -0.0007186900000000, 0.0004839000000000 ] - [ -0.0000325000000000, -0.0005083800000000, 0.0004532600000000 ] - [ 0.0000180500000000, -0.0006596000000000, 0.0005095700000000 ] - [ -0.0001343100000000, -0.0005667000000000, 0.0004365100000000 ] - [ 0.0003860300000000, -0.0015785300000000, -0.0003171500000000 ] - [ 0.0001409500000000, 0.0010956700000000, -0.0005936700000000 ] - [ 0.0001792900000000, 0.0006445700000000, -0.0004509200000000 ] - [ -0.0000579800000000, 0.0005737200000000, -0.0005023600000000 ] - [ 0.0001073200000000, 0.0006187400000000, -0.0005008000000000 ] - [ 0.0000948500000000, 0.0005910400000000, -0.0004695900000000 ] - [ 0.0000522400000000, 0.0030719600000000, -0.0003427800000000 ] - [ 0.0005237500000000, -0.0001873700000000, -0.0006782800000000 ] - [ 0.0002419800000000, 0.0006873300000000, -0.0004176500000000 ] - [ 0.0004935500000000, -0.0005465100000000, -0.0005934300000000 ] - [ -0.0000978500000000, -0.0006127300000000, -0.0003340100000000 ] - [ 0.0001869900000000, -0.0006128200000000, -0.0003721600000000 ] - [ 0.0000398200000000, -0.0006856200000000, -0.0005276100000000 ] - [ -0.0000100100000000, -0.0006434100000000, -0.0005035500000000 ] - [ 0.0001033900000000, -0.0006657600000000, -0.0004489900000000 ] - [ 0.0000215500000000, -0.0006184900000000, -0.0005289300000000 ] - [ 0.0000139300000000, -0.0006405200000000, -0.0004609000000000 ] - [ 0.0000973500000000, -0.0006001100000000, -0.0004591600000000 ] - [ -0.0002738200000000, 0.0008385200000000, 0.0005471000000000 ] - [ 0.0000653200000000, 0.0007187400000000, 0.0005693100000000 ] - [ 0.0001167200000000, 0.0004778000000000, 0.0003567600000000 ] - [ -0.0000608500000000, 0.0005779600000000, 0.0005676700000000 ] - [ 0.0000068300000000, 0.0006126200000000, 0.0005211400000000 ] - [ -0.0000685100000000, 0.0005893000000000, 0.0004691600000000 ] - [ -0.0002361000000000, 0.0004808500000000, 0.0009997300000000 ] - [ 0.0001002400000000, 0.0005691500000000, 0.0006147700000000 ] - [ 0.0000378500000000, 0.0007383500000000, 0.0003383800000000 ] - [ -0.0000195900000000, 0.0006537800000000, 0.0006466600000000 ] - [ -0.0002424600000000, 0.0000907000000000, 0.0000673600000000 ] - [ -0.0002854900000000, 0.0002790800000000, 0.0000254600000000 ] - [ -0.0001380200000000, 0.0001795400000000, 0.0001229600000000 ] - [ -0.0002421200000000, 0.0002503300000000, 0.0001207800000000 ] - [ -0.0002278300000000, 0.0002046500000000, 0.0001630000000000 ] - [ -0.0002679000000000, -0.0004055600000000, 0.0015464300000000 ] - [ -0.0002894900000000, 0.0003117800000000, -0.0001613100000000 ] - [ -0.0003454200000000, 0.0001621600000000, 0.0000102200000000 ] - [ 0.0014317200000000, -0.0023914700000000, 0.0038888900000000 ] - [ 0.0001045300000000, 0.0000088000000000, -0.0007400300000000 ] - [ 0.0002275000000000, -0.0002354400000000, -0.0001326500000000 ] - [ 0.0002519200000000, -0.0000084700000000, -0.0000848300000000 ] - [ 0.0001955400000000, -0.0002209600000000, -0.0002112400000000 ] - [ 0.0002117200000000, -0.0001561600000000, -0.0002028700000000 ] - [ 0.0001919600000000, -0.0001957700000000, -0.0002412600000000 ] - [ 0.0001983400000000, -0.0001744400000000, -0.0002041300000000 ] - [ 0.0002139100000000, -0.0002094900000000, -0.0001693000000000 ] - [ 0.0012030900000000, 0.0003839600000000, -0.0000957600000000 ] - [ 0.0001556600000000, 0.0000760100000000, -0.0001253200000000 ] - [ -0.0000021000000000, 0.0006333200000000, -0.0003090200000000 ] - [ 0.0004032000000000, 0.0011135800000000, 0.0000054700000000 ] - [ 0.0002027000000000, 0.0003020300000000, -0.0001538800000000 ] - [ 0.0002253000000000, 0.0002009900000000, -0.0001633200000000 ] - [ 0.0069738800000000, -0.0003119400000000, 0.0013278700000000 ] - [ 0.0001483900000000, 0.0008772100000000, -0.0000381500000000 ] - [ -0.0002746800000000, -0.0001192100000000, -0.0004130000000000 ] - [ 0.0039814600000000, 0.0000605700000000, 0.0045359500000000 ] - [ 0.0000035100000000, -0.0001051600000000, 0.0006128700000000 ] - [ -0.0004018400000000, -0.0002713800000000, 0.0000326800000000 ] - [ -0.0001847600000000, -0.0000501200000000, 0.0002445000000000 ] - [ -0.0002124700000000, -0.0002161100000000, 0.0001833500000000 ] - [ -0.0002683600000000, -0.0000753600000000, 0.0001200500000000 ] - [ -0.0001540000000000, -0.0002444400000000, 0.0002715300000000 ] - [ -0.0002113600000000, -0.0001818500000000, 0.0001843200000000 ] - [ -0.0002217700000000, -0.0002158500000000, 0.0001596500000000 ] - [ 0.0006756400000000, -0.0000839200000000, 0.0002133900000000 ] - [ 0.0007508100000000, -0.0002053900000000, 0.0000193800000000 ] - [ 0.0006345700000000, -0.0002001000000000, -0.0001657500000000 ] - [ 0.0006886400000000, -0.0001399400000000, 0.0001888700000000 ] - [ 0.0007332400000000, -0.0001674300000000, 0.0000165600000000 ] - [ 0.0007079700000000, -0.0001727500000000, -0.0000103000000000 ] - [ -0.0001928200000000, -0.0001944200000000, 0.0016207900000000 ] - [ 0.0008354100000000, -0.0001553900000000, 0.0000779400000000 ] - [ 0.0006269500000000, -0.0001919400000000, -0.0002193000000000 ] - [ 0.0052275000000000, 0.0006569900000000, -0.0019702500000000 ] - [ -0.0009574000000000, 0.0001225300000000, -0.0002374900000000 ] - [ -0.0011975300000000, 0.0001658500000000, -0.0000088500000000 ] - [ -0.0004580800000000, 0.0002183200000000, -0.0001392400000000 ] - [ -0.0007952400000000, 0.0001720600000000, -0.0000482600000000 ] - [ -0.0007605200000000, 0.0002342400000000, 0.0000208200000000 ] - [ -0.0004936900000000, 0.0002944300000000, -0.0002272600000000 ] - [ -0.0007798100000000, 0.0002088700000000, -0.0000477500000000 ] - [ -0.0007368800000000, 0.0001614600000000, 0.0000116800000000 ] - [ -0.0007332500000000, -0.0001828300000000, 0.0003736300000000 ] - [ -0.0007852200000000, -0.0002019200000000, -0.0000652500000000 ] - [ -0.0009668900000000, 0.0000237300000000, -0.0004902300000000 ] - [ -0.0007621200000000, -0.0001568000000000, 0.0000702500000000 ] - [ -0.0007777400000000, -0.0001678500000000, -0.0000496000000000 ] - [ -0.0006991500000000, -0.0001638900000000, 0.0000060300000000 ] - [ -0.0010482900000000, -0.0008186900000000, 0.0015452600000000 ] - [ -0.0008013100000000, -0.0001124900000000, -0.0001809900000000 ] - [ -0.0008779600000000, -0.0003684200000000, -0.0004498800000000 ] - [ 0.0683930700000000, 0.0008982500000000, -0.0015158300000000 ] - [ -0.0032857100000000, 0.0008369100000000, -0.0006841700000000 ] - [ -0.0005511500000000, 0.0003781400000000, -0.0000497000000000 ] - [ 0.0011430200000000, 0.0004644800000000, -0.0000556000000000 ] - [ 0.0007411500000000, 0.0001561600000000, -0.0000013000000000 ] - [ 0.0005766200000000, 0.0002909400000000, -0.0000092400000000 ] - [ 0.0012437600000000, 0.0002596500000000, -0.0001762900000000 ] - [ 0.0007124900000000, 0.0002523900000000, 0.0000188400000000 ] - [ 0.0006822900000000, 0.0001716700000000, -0.0000133400000000 ] - [ -0.0853190500000000, -0.0009106800000000, 0.0082254700000000 ] - [ 0.0016193500000000, -0.0009212500000000, -0.0010780800000000 ] - [ 0.0016082200000000, 0.0003175200000000, -0.0001131600000000 ] - [ -0.0012179900000000, 0.0000337700000000, -0.0000798400000000 ] - [ -0.0008196800000000, 0.0003630300000000, -0.0002516300000000 ] - [ -0.0007986600000000, -0.0000451800000000, -0.0004107900000000 ] - [ -0.0012179900000000, -0.0013352600000000, -0.0002095500000000 ] - [ -0.0008001900000000, 0.0001717400000000, -0.0003030500000000 ] - [ -0.0008178000000000, 0.0004077100000000, -0.0003517500000000 ] - [ 0.0008139400000000, -0.0004212900000000, -0.0001320200000000 ] - [ 0.0007989200000000, -0.0002804200000000, 0.0001536700000000 ] - [ 0.0010708700000000, -0.0003851600000000, 0.0005549800000000 ] - [ 0.0007958200000000, -0.0004648100000000, -0.0002561900000000 ] - [ 0.0008457800000000, -0.0003426900000000, 0.0002322200000000 ] - [ 0.0007983300000000, -0.0003454200000000, 0.0003596100000000 ] - [ 0.0015857700000000, -0.0002095700000000, -0.0031422900000000 ] - [ 0.0006872200000000, -0.0004951400000000, -0.0001038300000000 ] - [ 0.0010027300000000, -0.0001985000000000, 0.0007340200000000 ] - [ -0.0031519800000000, 0.0018103900000000, -0.0148823800000000 ] - [ 0.0008458800000000, 0.0002390700000000, 0.0022956100000000 ] - [ 0.0012429100000000, 0.0003382800000000, 0.0003068100000000 ] - [ 0.0004688000000000, 0.0000201600000000, 0.0005974900000000 ] - [ 0.0008449900000000, 0.0003742800000000, 0.0003037400000000 ] - [ 0.0008405100000000, 0.0002420000000000, 0.0003163400000000 ] - [ 0.0004696900000000, 0.0004585100000000, 0.0006998900000000 ] - [ 0.0008438200000000, 0.0002521000000000, 0.0003501900000000 ] - [ 0.0008405000000000, 0.0003426800000000, 0.0003534700000000 ] - [ -0.0008173900000000, -0.0005660000000000, -0.0008891700000000 ] - [ -0.0007833800000000, -0.0002864000000000, -0.0001427300000000 ] - [ -0.0007831100000000, -0.0003470600000000, 0.0001128300000000 ] - [ -0.0007265000000000, -0.0004031400000000, -0.0004139100000000 ] - [ -0.0008068800000000, -0.0003468900000000, -0.0002122900000000 ] - [ -0.0008057800000000, -0.0003379900000000, -0.0003416800000000 ] - [ 0.0004626400000000, 0.0019882300000000, -0.0013210400000000 ] - [ -0.0008265900000000, -0.0005996700000000, 0.0000285700000000 ] - [ -0.0008260300000000, -0.0003761300000000, 0.0000007800000000 ]- atom: 109 displacement: [ -0.0099999580557189, 0.0000000000000000, -0.0000289634918988 ] forces: - [ -0.0005867800000000, -0.0006639000000000, 0.0021918000000000 ] - [ -0.0002275700000000, -0.0006794100000000, 0.0004140000000000 ] - [ -0.0004918800000000, -0.0006926000000000, -0.0011662600000000 ] - [ -0.0000259400000000, -0.0005703700000000, 0.0005515600000000 ] - [ -0.0001172700000000, -0.0006168000000000, 0.0004548700000000 ] - [ 0.0000082900000000, -0.0005387400000000, 0.0005010600000000 ] - [ -0.0000547800000000, -0.0007500600000000, 0.0005321500000000 ] - [ -0.0001023600000000, -0.0006001800000000, 0.0004752700000000 ] - [ 0.0000516500000000, -0.0006922900000000, 0.0005490500000000 ] - [ -0.0003031100000000, 0.0028493300000000, -0.0006675100000000 ] - [ -0.0000573100000000, 0.0001698100000000, -0.0003918800000000 ] - [ -0.0000943500000000, 0.0006137300000000, -0.0005335100000000 ] - [ 0.0001446800000000, 0.0006857400000000, -0.0004820000000000 ] - [ -0.0000256000000000, 0.0006400300000000, -0.0004847300000000 ] - [ -0.0000101800000000, 0.0006679600000000, -0.0005151300000000 ] - [ 0.0000260800000000, -0.0018396100000000, -0.0006428600000000 ] - [ -0.0004494000000000, 0.0014358700000000, -0.0003065600000000 ] - [ -0.0001561300000000, 0.0005712100000000, -0.0005662200000000 ] - [ -0.0004124700000000, -0.0007134900000000, -0.0003856300000000 ] - [ 0.0001813800000000, -0.0006439000000000, -0.0006579000000000 ] - [ -0.0001010500000000, -0.0006454800000000, -0.0006116100000000 ] - [ 0.0000451200000000, -0.0005720300000000, -0.0004563800000000 ] - [ 0.0000936400000000, -0.0006145500000000, -0.0004816100000000 ] - [ -0.0000189200000000, -0.0005922200000000, -0.0005357400000000 ] - [ 0.0000637000000000, -0.0006393200000000, -0.0004548800000000 ] - [ 0.0000692900000000, -0.0006186700000000, -0.0005248700000000 ] - [ -0.0000126500000000, -0.0006588900000000, -0.0005256700000000 ] - [ 0.0001877500000000, 0.0004138000000000, 0.0004361700000000 ] - [ -0.0001492300000000, 0.0005412300000000, 0.0004159600000000 ] - [ -0.0002018500000000, 0.0007809200000000, 0.0006284000000000 ] - [ -0.0000248700000000, 0.0006813300000000, 0.0004150600000000 ] - [ -0.0000912300000000, 0.0006463400000000, 0.0004637000000000 ] - [ -0.0000153500000000, 0.0006696200000000, 0.0005159400000000 ] - [ 0.0001504800000000, 0.0007810100000000, -0.0000248900000000 ] - [ -0.0001837900000000, 0.0006872900000000, 0.0003713000000000 ] - [ -0.0001218800000000, 0.0005194300000000, 0.0006477900000000 ] - [ -0.0004126100000000, -0.0002464000000000, -0.0003257800000000 ] - [ -0.0001869400000000, 0.0003191800000000, 0.0002574900000000 ] - [ -0.0001444500000000, 0.0001305100000000, 0.0002996100000000 ] - [ -0.0002928000000000, 0.0002312700000000, 0.0002022800000000 ] - [ -0.0001876100000000, 0.0001611700000000, 0.0002055100000000 ] - [ -0.0002024400000000, 0.0002062200000000, 0.0001616900000000 ] - [ -0.0001665400000000, 0.0008227600000000, -0.0012365300000000 ] - [ -0.0001383400000000, 0.0001024300000000, 0.0004841800000000 ] - [ -0.0000851000000000, 0.0002480200000000, 0.0003156300000000 ] - [ -0.0010149400000000, 0.0020066700000000, -0.0042665300000000 ] - [ 0.0003253600000000, -0.0004158700000000, 0.0004051800000000 ] - [ 0.0002010900000000, -0.0001759400000000, -0.0001909600000000 ] - [ 0.0001779800000000, -0.0004031600000000, -0.0002397000000000 ] - [ 0.0002344200000000, -0.0001900000000000, -0.0001139400000000 ] - [ 0.0002180900000000, -0.0002553700000000, -0.0001219100000000 ] - [ 0.0002386500000000, -0.0002152800000000, -0.0000827000000000 ] - [ 0.0002319700000000, -0.0002358200000000, -0.0001207100000000 ] - [ 0.0002155400000000, -0.0002010200000000, -0.0001552300000000 ] - [ -0.0007842800000000, 0.0000261400000000, -0.0002332500000000 ] - [ 0.0002741500000000, 0.0003318600000000, -0.0001987100000000 ] - [ 0.0004334000000000, -0.0002240700000000, -0.0000164500000000 ] - [ 0.0000251200000000, -0.0007232800000000, -0.0003347300000000 ] - [ 0.0002279900000000, 0.0001091900000000, -0.0001704200000000 ] - [ 0.0002041200000000, 0.0002091900000000, -0.0001619800000000 ] - [ -0.0065801100000000, 0.0008012800000000, -0.0016849000000000 ] - [ 0.0002822700000000, -0.0004539600000000, -0.0002839700000000 ] - [ 0.0007068400000000, 0.0005259600000000, 0.0000859200000000 ] - [ -0.0043814500000000, -0.0004766000000000, -0.0042030300000000 ] - [ -0.0004317900000000, -0.0003017000000000, -0.0002822800000000 ] - [ -0.0000261300000000, -0.0001389700000000, 0.0002896000000000 ] - [ -0.0002449100000000, -0.0003598300000000, 0.0000801900000000 ] - [ -0.0002175200000000, -0.0001961400000000, 0.0001420100000000 ] - [ -0.0001616900000000, -0.0003362800000000, 0.0002052600000000 ] - [ -0.0002761200000000, -0.0001672500000000, 0.0000522000000000 ] - [ -0.0002183200000000, -0.0002280000000000, 0.0001402500000000 ] - [ -0.0002087200000000, -0.0001944200000000, 0.0001652800000000 ] - [ 0.0007896300000000, -0.0002846100000000, -0.0001922500000000 ] - [ 0.0007134400000000, -0.0001629600000000, 0.0000080500000000 ] - [ 0.0008278600000000, -0.0001695100000000, 0.0001900500000000 ] - [ 0.0007754300000000, -0.0002297300000000, -0.0001676800000000 ] - [ 0.0007301900000000, -0.0002015200000000, 0.0000086800000000 ] - [ 0.0007538700000000, -0.0001962700000000, 0.0000337800000000 ] - [ 0.0016711900000000, -0.0001793500000000, -0.0016263000000000 ] - [ 0.0006275500000000, -0.0002139400000000, -0.0000492500000000 ] - [ 0.0008347200000000, -0.0001773700000000, 0.0002428800000000 ] - [ -0.0066795700000000, -0.0002688400000000, 0.0019189400000000 ] - [ -0.0005072200000000, 0.0002465500000000, 0.0002082300000000 ] - [ -0.0002648400000000, 0.0002035200000000, -0.0000194900000000 ] - [ -0.0010065500000000, 0.0001510800000000, 0.0001173700000000 ] - [ -0.0006672100000000, 0.0001969700000000, 0.0000233800000000 ] - [ -0.0007026600000000, 0.0001346300000000, -0.0000453700000000 ] - [ -0.0009716600000000, 0.0000737700000000, 0.0002079300000000 ] - [ -0.0006820100000000, 0.0001611800000000, 0.0000236800000000 ] - [ -0.0007272300000000, 0.0002075000000000, -0.0000372900000000 ] - [ -0.0007260800000000, -0.0001877300000000, -0.0003977300000000 ] - [ -0.0006767300000000, -0.0001676900000000, 0.0000418500000000 ] - [ -0.0004940100000000, -0.0003952100000000, 0.0004700500000000 ] - [ -0.0006981900000000, -0.0002127100000000, -0.0000957200000000 ] - [ -0.0006848400000000, -0.0002010200000000, 0.0000258900000000 ] - [ -0.0007648900000000, -0.0002048800000000, -0.0000312200000000 ] - [ -0.0003997000000000, 0.0004567900000000, -0.0015828400000000 ] - [ -0.0006615600000000, -0.0002546800000000, 0.0001562700000000 ] - [ -0.0005830400000000, 0.0000022600000000, 0.0004308600000000 ] - [ -0.0700262500000000, -0.0003851300000000, 0.0018932500000000 ] - [ 0.0046896900000000, -0.0004589900000000, 0.0006967700000000 ] - [ 0.0019906600000000, -0.0000068300000000, 0.0000780600000000 ] - [ 0.0003152600000000, -0.0001010600000000, 0.0000805100000000 ] - [ 0.0007234400000000, 0.0002117200000000, 0.0000256000000000 ] - [ 0.0008858500000000, 0.0000774800000000, 0.0000340200000000 ] - [ 0.0002090700000000, 0.0001117400000000, 0.0002019000000000 ] - [ 0.0007538400000000, 0.0001179900000000, 0.0000060000000000 ] - [ 0.0007787000000000, 0.0001975000000000, 0.0000371000000000 ] - [ 0.0868043500000000, 0.0013092200000000, -0.0092177200000000 ] - [ -0.0031981500000000, 0.0015399900000000, 0.0004668700000000 ] - [ -0.0032042300000000, 0.0003276500000000, -0.0004799300000000 ] - [ -0.0003920100000000, 0.0006146900000000, -0.0005246000000000 ] - [ -0.0008046000000000, 0.0002796800000000, -0.0003466500000000 ] - [ -0.0008235400000000, 0.0006885900000000, -0.0001887400000000 ] - [ -0.0003928000000000, 0.0020059200000000, -0.0003943900000000 ] - [ -0.0008245300000000, 0.0004678300000000, -0.0002952600000000 ] - [ -0.0008028600000000, 0.0002340500000000, -0.0002469900000000 ] - [ 0.0008041000000000, -0.0002247700000000, 0.0007420400000000 ] - [ 0.0008225600000000, -0.0003593600000000, 0.0004422400000000 ] - [ 0.0005494500000000, -0.0002556700000000, 0.0000460600000000 ] - [ 0.0008249900000000, -0.0001747900000000, 0.0008674000000000 ] - [ 0.0007765600000000, -0.0002991700000000, 0.0003655500000000 ] - [ 0.0008253200000000, -0.0002953600000000, 0.0002407700000000 ] - [ 0.0000195400000000, -0.0004041200000000, 0.0038141600000000 ] - [ 0.0009335600000000, -0.0001521400000000, 0.0006954500000000 ] - [ 0.0006193000000000, -0.0004431000000000, -0.0001315300000000 ] - [ 0.0048293400000000, -0.0011953800000000, 0.0156222500000000 ] - [ 0.0007696500000000, 0.0003973900000000, -0.0016611300000000 ] - [ 0.0003793100000000, 0.0003047400000000, 0.0002887900000000 ] - [ 0.0011564100000000, 0.0006236900000000, 0.0000000500000000 ] - [ 0.0007775700000000, 0.0002679900000000, 0.0002955800000000 ] - [ 0.0007823700000000, 0.0004008100000000, 0.0002835700000000 ] - [ 0.0011577700000000, 0.0001820500000000, -0.0001032200000000 ] - [ 0.0007767600000000, 0.0003879900000000, 0.0002488400000000 ] - [ 0.0007826600000000, 0.0002985000000000, 0.0002462900000000 ] - [ -0.0008075000000000, -0.0000731900000000, 0.0002912500000000 ] - [ -0.0008401000000000, -0.0003537700000000, -0.0004575100000000 ] - [ -0.0008381700000000, -0.0002935700000000, -0.0007156100000000 ] - [ -0.0008979400000000, -0.0002372200000000, -0.0001849900000000 ] - [ -0.0008158500000000, -0.0002941100000000, -0.0003889000000000 ] - [ -0.0008157000000000, -0.0003030700000000, -0.0002571400000000 ] - [ -0.0021089200000000, -0.0026583600000000, 0.0007363600000000 ] - [ -0.0007958200000000, -0.0000447800000000, -0.0006279000000000 ] - [ -0.0007953500000000, -0.0002641200000000, -0.0006041100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000792500000000, -0.0013312600000000, 0.0003099300000000 ] - [ -0.0000538500000000, -0.0007040200000000, 0.0004480500000000 ] - [ -0.0000556500000000, -0.0006938200000000, 0.0001249500000000 ] - [ 0.0000977800000000, -0.0004282000000000, 0.0004435500000000 ] - [ -0.0000474800000000, -0.0005606500000000, 0.0004799600000000 ] - [ -0.0001550000000000, -0.0005379000000000, 0.0003902700000000 ] - [ -0.0002187200000000, -0.0002692500000000, 0.0006104600000000 ] - [ -0.0000582800000000, -0.0006181100000000, 0.0004825000000000 ] - [ 0.0001135300000000, -0.0005244800000000, 0.0005560800000000 ] - [ -0.0011427500000000, 0.0012595500000000, -0.0005874900000000 ] - [ 0.0006906900000000, 0.0007337700000000, -0.0004591400000000 ] - [ 0.0000399200000000, 0.0006203500000000, -0.0004940200000000 ] - [ 0.0000576700000000, 0.0008644600000000, -0.0004918700000000 ] - [ 0.0000708200000000, 0.0007692500000000, -0.0005044200000000 ] - [ 0.0000219200000000, 0.0006981700000000, -0.0005034800000000 ] - [ 0.0025321100000000, 0.0006938600000000, -0.0005266400000000 ] - [ -0.0020025900000000, 0.0008204200000000, -0.0007121900000000 ] - [ 0.0000006300000000, 0.0005943300000000, -0.0005211800000000 ] - [ 0.0000744800000000, -0.0009382500000000, -0.0004048100000000 ] - [ 0.0001847000000000, -0.0004870800000000, -0.0002229900000000 ] - [ 0.0000317000000000, -0.0006941600000000, -0.0004947400000000 ] - [ -0.0000055800000000, -0.0004796800000000, -0.0005613900000000 ] - [ 0.0001095800000000, -0.0005452500000000, -0.0004155200000000 ] - [ 0.0000413600000000, -0.0005683500000000, -0.0004888700000000 ] - [ 0.0001290200000000, -0.0002623000000000, -0.0004299900000000 ] - [ -0.0000266500000000, -0.0005941400000000, -0.0005372800000000 ] - [ 0.0000279100000000, -0.0006205100000000, -0.0005024300000000 ] - [ 0.0001399700000000, 0.0010056000000000, 0.0013173500000000 ] - [ -0.0000458600000000, 0.0005846100000000, 0.0004943100000000 ] - [ -0.0001389700000000, 0.0005788600000000, 0.0004325500000000 ] - [ -0.0000476500000000, 0.0008204700000000, 0.0005061800000000 ] - [ -0.0000526200000000, 0.0007101100000000, 0.0004851500000000 ] - [ -0.0000304800000000, 0.0007228900000000, 0.0005160100000000 ] - [ -0.0001483100000000, 0.0005690700000000, -0.0014721500000000 ] - [ -0.0000982300000000, 0.0006009700000000, 0.0004931700000000 ] - [ 0.0002401800000000, 0.0006011600000000, 0.0009460900000000 ] - [ -0.0001385700000000, 0.0000249100000000, 0.0001087800000000 ] - [ -0.0002973300000000, 0.0001420300000000, 0.0000319600000000 ] - [ -0.0001913500000000, 0.0001956800000000, 0.0001920300000000 ] - [ -0.0002852000000000, -0.0000751000000000, 0.0001903500000000 ] - [ -0.0002127100000000, 0.0000810800000000, 0.0002026600000000 ] - [ -0.0002289500000000, 0.0001237300000000, 0.0001591200000000 ] - [ 0.0000463300000000, 0.0017908700000000, -0.0013975000000000 ] - [ -0.0000351900000000, 0.0005789700000000, 0.0006980300000000 ] - [ -0.0002963600000000, 0.0003858300000000, 0.0000235800000000 ] - [ 0.0008100500000000, 0.0008465000000000, -0.0015686700000000 ] - [ 0.0001817100000000, 0.0000079700000000, -0.0001507200000000 ] - [ 0.0001390000000000, -0.0000325500000000, -0.0002651900000000 ] - [ 0.0001637900000000, -0.0002031400000000, -0.0003517100000000 ] - [ 0.0001856900000000, -0.0002307700000000, -0.0002316200000000 ] - [ 0.0002339200000000, -0.0002173900000000, -0.0001430500000000 ] - [ 0.0002501400000000, -0.0004734000000000, -0.0001314100000000 ] - [ 0.0002398700000000, -0.0002991000000000, -0.0000633100000000 ] - [ 0.0001751100000000, -0.0003074400000000, -0.0001932000000000 ] - [ 0.0008564100000000, -0.0046908300000000, 0.0008749400000000 ] - [ 0.0001679700000000, 0.0002184000000000, -0.0001775000000000 ] - [ 0.0003256500000000, 0.0002132000000000, -0.0001125200000000 ] - [ 0.0005043000000000, -0.0013977800000000, -0.0000792700000000 ] - [ 0.0002955300000000, 0.0000194300000000, -0.0001863000000000 ] - [ 0.0002122900000000, 0.0001308900000000, -0.0001703300000000 ] - [ -0.0030392500000000, 0.0624329600000000, -0.0056303700000000 ] - [ 0.0004077300000000, 0.0005962800000000, -0.0000619800000000 ] - [ 0.0005717700000000, 0.0007354600000000, 0.0000305700000000 ] - [ 0.0005458100000000, 0.0053977300000000, 0.0024265200000000 ] - [ -0.0001517200000000, -0.0000042300000000, 0.0002159500000000 ] - [ -0.0001851400000000, 0.0000371400000000, 0.0002744100000000 ] - [ -0.0001072000000000, -0.0002878100000000, 0.0005565500000000 ] - [ -0.0002335000000000, -0.0002293600000000, 0.0001673300000000 ] - [ -0.0001786600000000, -0.0002359900000000, 0.0002046800000000 ] - [ -0.0001721600000000, -0.0006304200000000, 0.0001855700000000 ] - [ -0.0001782100000000, -0.0003089300000000, 0.0001512400000000 ] - [ -0.0002298400000000, -0.0002761000000000, 0.0001351900000000 ] - [ 0.0005839300000000, -0.0000097700000000, 0.0006568200000000 ] - [ 0.0006759300000000, -0.0001758100000000, -0.0000242900000000 ] - [ 0.0007623100000000, -0.0001615300000000, 0.0000589800000000 ] - [ 0.0006650100000000, -0.0003237300000000, 0.0000099900000000 ] - [ 0.0007298000000000, -0.0002534700000000, -0.0000146300000000 ] - [ 0.0007081600000000, -0.0002347200000000, 0.0000118800000000 ] - [ 0.0024559000000000, 0.0001489300000000, -0.0047257800000000 ] - [ 0.0007841900000000, -0.0000383500000000, -0.0000126300000000 ] - [ 0.0005826800000000, -0.0001374600000000, 0.0001060500000000 ] - [ 0.0004226800000000, 0.0043846900000000, -0.0030856600000000 ] - [ -0.0007079100000000, 0.0002699200000000, -0.0000505000000000 ] - [ -0.0006818400000000, 0.0003499300000000, -0.0000966600000000 ] - [ -0.0006875900000000, 0.0001321400000000, -0.0004269000000000 ] - [ -0.0007897500000000, 0.0001395900000000, -0.0000339100000000 ] - [ -0.0006695200000000, 0.0001437800000000, -0.0000042000000000 ] - [ -0.0009412700000000, -0.0001216500000000, 0.0000419300000000 ] - [ -0.0006706700000000, 0.0001680300000000, 0.0000299900000000 ] - [ -0.0008337900000000, 0.0001160500000000, -0.0001206500000000 ] - [ -0.0008473900000000, -0.0001527200000000, 0.0002973800000000 ] - [ -0.0007497300000000, -0.0001664200000000, -0.0000467500000000 ] - [ -0.0006045600000000, -0.0001746900000000, 0.0000943600000000 ] - [ -0.0006489000000000, -0.0003521100000000, 0.0000235700000000 ] - [ -0.0006966900000000, -0.0002441100000000, 0.0000134000000000 ] - [ -0.0007321500000000, -0.0002601600000000, 0.0000087600000000 ] - [ -0.0003121500000000, 0.0004276500000000, -0.0020949200000000 ] - [ -0.0006878000000000, -0.0001347400000000, 0.0001546400000000 ] - [ -0.0010406200000000, -0.0000538700000000, -0.0000726500000000 ] - [ 0.0041384200000000, 0.0069085300000000, -0.0016878100000000 ] - [ 0.0007326800000000, 0.0005814400000000, 0.0002437300000000 ] - [ 0.0011693500000000, 0.0003065600000000, -0.0001483700000000 ] - [ 0.0016018200000000, 0.0000253400000000, -0.0002483900000000 ] - [ 0.0004995700000000, 0.0000983000000000, -0.0000463600000000 ] - [ 0.0008170600000000, 0.0001633100000000, 0.0000081000000000 ] - [ 0.0005791700000000, -0.0003180800000000, 0.0002145900000000 ] - [ 0.0011864300000000, -0.0000474800000000, 0.0002091600000000 ] - [ 0.0007416600000000, 0.0001860800000000, -0.0000115000000000 ] - [ -0.0021517700000000, -0.0789651000000000, -0.0016367400000000 ] - [ -0.0008119400000000, 0.0002966700000000, -0.0005634100000000 ] - [ -0.0020264400000000, 0.0002966000000000, -0.0004847100000000 ] - [ -0.0024987300000000, 0.0035590400000000, 0.0004799900000000 ] - [ -0.0007232000000000, 0.0003129900000000, -0.0003654100000000 ] - [ -0.0009598500000000, 0.0003432700000000, -0.0003547700000000 ] - [ -0.0010999300000000, 0.0035435100000000, -0.0002143700000000 ] - [ -0.0011778900000000, 0.0003447500000000, -0.0002121800000000 ] - [ -0.0007698300000000, 0.0003154900000000, -0.0001583900000000 ] - [ 0.0007199900000000, -0.0007432800000000, -0.0023511200000000 ] - [ 0.0008513700000000, -0.0003448700000000, 0.0003380200000000 ] - [ 0.0007470100000000, -0.0003225700000000, 0.0002748300000000 ] - [ 0.0006664600000000, 0.0001172200000000, 0.0002024800000000 ] - [ 0.0007894600000000, -0.0001961600000000, 0.0003689800000000 ] - [ 0.0007860700000000, -0.0002443900000000, 0.0002845900000000 ] - [ 0.0008655400000000, -0.0018251600000000, 0.0156090800000000 ] - [ 0.0006402500000000, -0.0004597500000000, 0.0002084400000000 ] - [ 0.0009350100000000, -0.0005534800000000, -0.0001900600000000 ] - [ -0.0006888700000000, -0.0014477800000000, 0.0033018500000000 ] - [ 0.0008881400000000, -0.0000913800000000, 0.0004021700000000 ] - [ 0.0007938300000000, 0.0001103700000000, 0.0006455400000000 ] - [ 0.0006690200000000, 0.0005619800000000, 0.0008151700000000 ] - [ 0.0008794500000000, 0.0004301000000000, 0.0004586000000000 ] - [ 0.0007887600000000, 0.0003564200000000, 0.0003480000000000 ] - [ 0.0011135400000000, 0.0005615400000000, -0.0000498700000000 ] - [ 0.0007591400000000, 0.0004299800000000, -0.0000788600000000 ] - [ 0.0008904600000000, 0.0003569900000000, 0.0003016300000000 ] - [ -0.0005630500000000, -0.0003832400000000, -0.0003732500000000 ] - [ -0.0007852900000000, -0.0003533800000000, -0.0002310200000000 ] - [ -0.0008449500000000, -0.0003535300000000, -0.0004177900000000 ] - [ -0.0007283000000000, -0.0000545700000000, -0.0003452000000000 ] - [ -0.0007931200000000, -0.0002117400000000, -0.0003373500000000 ] - [ -0.0007844800000000, -0.0002123800000000, -0.0003245100000000 ] - [ -0.0031269800000000, -0.0018881600000000, 0.0014547600000000 ] - [ -0.0007538800000000, -0.0004621900000000, -0.0006168600000000 ] - [ -0.0005357100000000, -0.0004624100000000, -0.0000398000000000 ]- atom: 109 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001719100000000, 0.0000690300000000, 0.0006770200000000 ] - [ -0.0000302100000000, -0.0005554200000000, 0.0005384300000000 ] - [ -0.0000230800000000, -0.0005664200000000, 0.0008679100000000 ] - [ -0.0001801200000000, -0.0008286600000000, 0.0005405000000000 ] - [ -0.0000370300000000, -0.0006980100000000, 0.0005047900000000 ] - [ 0.0000679300000000, -0.0007205900000000, 0.0005928400000000 ] - [ 0.0001343100000000, -0.0009897400000000, 0.0003748600000000 ] - [ -0.0000263100000000, -0.0006402000000000, 0.0005024200000000 ] - [ -0.0001995400000000, -0.0007339500000000, 0.0004283900000000 ] - [ 0.0012129000000000, -0.0000101200000000, -0.0003980700000000 ] - [ -0.0005960100000000, 0.0005239800000000, -0.0005247100000000 ] - [ 0.0000451000000000, 0.0006357600000000, -0.0004903300000000 ] - [ 0.0000271600000000, 0.0003957000000000, -0.0004932500000000 ] - [ 0.0000135300000000, 0.0004900600000000, -0.0004804200000000 ] - [ 0.0000630400000000, 0.0005609600000000, -0.0004813000000000 ] - [ -0.0024744100000000, 0.0005594600000000, -0.0004603900000000 ] - [ 0.0021003500000000, 0.0004340000000000, -0.0002721000000000 ] - [ 0.0000848000000000, 0.0006665900000000, -0.0004630100000000 ] - [ 0.0000105100000000, -0.0003201900000000, -0.0005751200000000 ] - [ -0.0001034100000000, -0.0007716200000000, -0.0007657600000000 ] - [ 0.0000537200000000, -0.0005654500000000, -0.0004897900000000 ] - [ 0.0000892100000000, -0.0007779300000000, -0.0004249800000000 ] - [ -0.0000238200000000, -0.0007131900000000, -0.0005680100000000 ] - [ 0.0000434900000000, -0.0006903200000000, -0.0004957900000000 ] - [ -0.0000453400000000, -0.0009989100000000, -0.0005553300000000 ] - [ 0.0001118600000000, -0.0006640500000000, -0.0004469200000000 ] - [ 0.0000570400000000, -0.0006373400000000, -0.0004824200000000 ] - [ -0.0002239100000000, 0.0002464500000000, -0.0003225500000000 ] - [ -0.0000381800000000, 0.0006725900000000, 0.0004904200000000 ] - [ 0.0000534300000000, 0.0006767700000000, 0.0005502100000000 ] - [ -0.0000368100000000, 0.0004391500000000, 0.0004779800000000 ] - [ -0.0000319200000000, 0.0005491500000000, 0.0004996300000000 ] - [ -0.0000548900000000, 0.0005360700000000, 0.0004682900000000 ] - [ 0.0000656700000000, 0.0006860600000000, 0.0024754300000000 ] - [ 0.0000147300000000, 0.0006582500000000, 0.0004918000000000 ] - [ -0.0003278900000000, 0.0006588100000000, 0.0000333900000000 ] - [ -0.0002905100000000, 0.0003865000000000, 0.0002184600000000 ] - [ -0.0001337200000000, 0.0002698500000000, 0.0002912000000000 ] - [ -0.0002381400000000, 0.0002165200000000, 0.0001326600000000 ] - [ -0.0001442100000000, 0.0004847900000000, 0.0001349400000000 ] - [ -0.0002178600000000, 0.0003290900000000, 0.0001227300000000 ] - [ -0.0002006900000000, 0.0002865600000000, 0.0001663700000000 ] - [ -0.0004778600000000, -0.0013965300000000, 0.0017342500000000 ] - [ -0.0003988700000000, -0.0001726900000000, -0.0003802400000000 ] - [ -0.0001332600000000, 0.0000221000000000, 0.0003027800000000 ] - [ -0.0003819100000000, -0.0012822500000000, 0.0012684100000000 ] - [ 0.0002497900000000, -0.0004213700000000, -0.0001742600000000 ] - [ 0.0002904800000000, -0.0003810700000000, -0.0000589000000000 ] - [ 0.0002655800000000, -0.0002055600000000, 0.0000248200000000 ] - [ 0.0002438900000000, -0.0001785900000000, -0.0000950500000000 ] - [ 0.0001970700000000, -0.0001923500000000, -0.0001815800000000 ] - [ 0.0001795500000000, 0.0000625500000000, -0.0001936600000000 ] - [ 0.0001899200000000, -0.0001123400000000, -0.0002626500000000 ] - [ 0.0002552800000000, -0.0001034800000000, -0.0001307400000000 ] - [ -0.0004188400000000, 0.0050350500000000, -0.0011813600000000 ] - [ 0.0002609100000000, 0.0001942800000000, -0.0001476800000000 ] - [ 0.0001056600000000, 0.0002010700000000, -0.0002129100000000 ] - [ -0.0000711600000000, 0.0017745500000000, -0.0002510600000000 ] - [ 0.0001340000000000, 0.0003905400000000, -0.0001385700000000 ] - [ 0.0002182400000000, 0.0002779700000000, -0.0001543300000000 ] - [ 0.0038262600000000, -0.0649834500000000, 0.0052448500000000 ] - [ 0.0000168200000000, -0.0001896000000000, -0.0002631800000000 ] - [ -0.0001417100000000, -0.0003338100000000, -0.0003574900000000 ] - [ -0.0009706500000000, -0.0058183400000000, -0.0020852900000000 ] - [ -0.0002791300000000, -0.0004079600000000, 0.0001079800000000 ] - [ -0.0002464500000000, -0.0004511200000000, 0.0000459600000000 ] - [ -0.0003207500000000, -0.0001229600000000, -0.0002228200000000 ] - [ -0.0001973100000000, -0.0001810000000000, 0.0001576400000000 ] - [ -0.0002512500000000, -0.0001733600000000, 0.0001214600000000 ] - [ -0.0002574600000000, 0.0002212100000000, 0.0001405200000000 ] - [ -0.0002520700000000, -0.0001020100000000, 0.0001728400000000 ] - [ -0.0001999000000000, -0.0001355800000000, 0.0001904400000000 ] - [ 0.0008773700000000, -0.0003562200000000, -0.0006209200000000 ] - [ 0.0007875500000000, -0.0001912400000000, 0.0000500700000000 ] - [ 0.0007009900000000, -0.0002070500000000, -0.0000348500000000 ] - [ 0.0007982000000000, -0.0000454700000000, 0.0000140200000000 ] - [ 0.0007320200000000, -0.0001158700000000, 0.0000384700000000 ] - [ 0.0007543000000000, -0.0001343100000000, 0.0000119100000000 ] - [ -0.0010128900000000, -0.0005287400000000, 0.0048013900000000 ] - [ 0.0006775700000000, -0.0003332000000000, 0.0000352300000000 ] - [ 0.0008808000000000, -0.0002330800000000, -0.0000836500000000 ] - [ -0.0018931700000000, -0.0039849800000000, 0.0030328000000000 ] - [ -0.0007550700000000, 0.0000983600000000, 0.0000272900000000 ] - [ -0.0007827300000000, 0.0000182100000000, 0.0000721400000000 ] - [ -0.0007724000000000, 0.0002382600000000, 0.0003946000000000 ] - [ -0.0006736100000000, 0.0002299500000000, 0.0000087500000000 ] - [ -0.0007917200000000, 0.0002259200000000, -0.0000189200000000 ] - [ -0.0005198600000000, 0.0004945800000000, -0.0000653400000000 ] - [ -0.0007925300000000, 0.0002009200000000, -0.0000545100000000 ] - [ -0.0006283800000000, 0.0002527800000000, 0.0000966500000000 ] - [ -0.0006181300000000, -0.0002142300000000, -0.0003160200000000 ] - [ -0.0007135400000000, -0.0002017300000000, 0.0000220400000000 ] - [ -0.0008577200000000, -0.0001923700000000, -0.0001192000000000 ] - [ -0.0008137000000000, -0.0000175300000000, -0.0000482500000000 ] - [ -0.0007661700000000, -0.0001249900000000, -0.0000375200000000 ] - [ -0.0007295600000000, -0.0001090500000000, -0.0000326600000000 ] - [ -0.0011535300000000, -0.0008063200000000, 0.0020924600000000 ] - [ -0.0007750200000000, -0.0002353600000000, -0.0001808100000000 ] - [ -0.0004201800000000, -0.0003175100000000, 0.0000490700000000 ] - [ -0.0025556400000000, -0.0065550800000000, 0.0017315500000000 ] - [ 0.0007241800000000, -0.0002207800000000, -0.0002204500000000 ] - [ 0.0002759900000000, 0.0000605800000000, 0.0001776100000000 ] - [ -0.0001245700000000, 0.0003431700000000, 0.0002682700000000 ] - [ 0.0009584400000000, 0.0002701800000000, 0.0000690600000000 ] - [ 0.0006460600000000, 0.0002066300000000, 0.0000165500000000 ] - [ 0.0008796700000000, 0.0006917000000000, -0.0001906900000000 ] - [ 0.0002751600000000, 0.0004177100000000, -0.0001854100000000 ] - [ 0.0007206600000000, 0.0001817800000000, 0.0000361800000000 ] - [ 0.0000574800000000, 0.0825642100000000, 0.0011987200000000 ] - [ -0.0008034100000000, 0.0003540100000000, -0.0000338700000000 ] - [ 0.0004336400000000, 0.0003539200000000, -0.0001080900000000 ] - [ 0.0008475500000000, -0.0028586000000000, -0.0010683200000000 ] - [ -0.0008971900000000, 0.0003263000000000, -0.0002349700000000 ] - [ -0.0006642500000000, 0.0002964100000000, -0.0002478100000000 ] - [ -0.0005185200000000, -0.0028735700000000, -0.0003874400000000 ] - [ -0.0004436700000000, 0.0002978400000000, -0.0003868200000000 ] - [ -0.0008524900000000, 0.0003285400000000, -0.0004422600000000 ] - [ 0.0009015300000000, 0.0000932000000000, 0.0029075900000000 ] - [ 0.0007722200000000, -0.0002976700000000, 0.0002600900000000 ] - [ 0.0008761800000000, -0.0003201200000000, 0.0003266000000000 ] - [ 0.0009560300000000, -0.0007572400000000, 0.0004023000000000 ] - [ 0.0008333200000000, -0.0004452900000000, 0.0002308900000000 ] - [ 0.0008359900000000, -0.0003958600000000, 0.0003162700000000 ] - [ 0.0007600500000000, 0.0012238200000000, -0.0151622500000000 ] - [ 0.0009825300000000, -0.0001793300000000, 0.0003923500000000 ] - [ 0.0006873600000000, -0.0000843100000000, 0.0007953800000000 ] - [ 0.0023347700000000, 0.0021192900000000, -0.0027812200000000 ] - [ 0.0007300700000000, 0.0007386900000000, 0.0001943000000000 ] - [ 0.0008293200000000, 0.0005335900000000, -0.0000549700000000 ] - [ 0.0009488600000000, 0.0000803800000000, -0.0002069200000000 ] - [ 0.0007442400000000, 0.0002113400000000, 0.0001449300000000 ] - [ 0.0008330300000000, 0.0002844100000000, 0.0002527900000000 ] - [ 0.0005080600000000, 0.0000799500000000, 0.0006497200000000 ] - [ 0.0008633200000000, 0.0002115400000000, 0.0006806200000000 ] - [ 0.0007317600000000, 0.0002854800000000, 0.0002975100000000 ] - [ -0.0010566100000000, -0.0002607700000000, -0.0002314200000000 ] - [ -0.0008383500000000, -0.0002889300000000, -0.0003678500000000 ] - [ -0.0007780900000000, -0.0002889400000000, -0.0001814900000000 ] - [ -0.0008941600000000, -0.0005866400000000, -0.0002548600000000 ] - [ -0.0008283500000000, -0.0004288300000000, -0.0002639700000000 ] - [ -0.0008374100000000, -0.0004287700000000, -0.0002765000000000 ] - [ 0.0015298000000000, 0.0012738500000000, -0.0020655300000000 ] - [ -0.0008679400000000, -0.0001757000000000, 0.0000212200000000 ] - [ -0.0010892100000000, -0.0001757900000000, -0.0005622200000000 ]- atom: 109 displacement: [ -0.0037270334771818, 0.0000000000000000, 0.0092795054534154 ] forces: - [ -0.0033257600000000, -0.0011979800000000, 0.0019738800000000 ] - [ -0.0000228600000000, -0.0006496700000000, 0.0005194500000000 ] - [ 0.0021397800000000, -0.0009723100000000, -0.0006076900000000 ] - [ -0.0002005900000000, -0.0006032800000000, 0.0004577000000000 ] - [ -0.0000191200000000, -0.0005754700000000, 0.0005135100000000 ] - [ 0.0000821900000000, -0.0005777100000000, 0.0004895700000000 ] - [ -0.0002413600000000, -0.0003510300000000, 0.0004131700000000 ] - [ -0.0000266600000000, -0.0006663800000000, 0.0005069500000000 ] - [ 0.0001765700000000, -0.0005512800000000, 0.0005287100000000 ] - [ 0.0000059500000000, 0.0018086800000000, -0.0010403200000000 ] - [ -0.0000222300000000, 0.0005391500000000, -0.0008046900000000 ] - [ 0.0000513300000000, 0.0006697600000000, -0.0004998400000000 ] - [ 0.0001689300000000, 0.0007023200000000, -0.0005448700000000 ] - [ -0.0000842400000000, 0.0006822500000000, -0.0005780500000000 ] - [ 0.0000465400000000, 0.0006674100000000, -0.0005035900000000 ] - [ 0.0006283000000000, -0.0005478800000000, -0.0012855600000000 ] - [ -0.0005615200000000, 0.0008111500000000, -0.0008748600000000 ] - [ 0.0000316900000000, 0.0005452900000000, -0.0005312000000000 ] - [ -0.0003312100000000, -0.0010431700000000, 0.0022136700000000 ] - [ 0.0008731000000000, -0.0006356500000000, 0.0016940400000000 ] - [ 0.0001600800000000, -0.0006382300000000, -0.0004029000000000 ] - [ 0.0000657200000000, -0.0006024400000000, -0.0003417400000000 ] - [ -0.0000348700000000, -0.0005118800000000, -0.0004773700000000 ] - [ 0.0000896800000000, -0.0005952200000000, -0.0004547100000000 ] - [ 0.0001200700000000, -0.0004745500000000, -0.0002926200000000 ] - [ -0.0000676200000000, -0.0007364700000000, -0.0004833000000000 ] - [ 0.0000719200000000, -0.0006527700000000, -0.0004643900000000 ] - [ 0.0003363900000000, 0.0032016000000000, 0.0006953900000000 ] - [ 0.0000050800000000, 0.0006707100000000, 0.0005091000000000 ] - [ -0.0002331300000000, 0.0007920600000000, 0.0006702400000000 ] - [ -0.0000774000000000, 0.0007125600000000, 0.0004200800000000 ] - [ -0.0000267900000000, 0.0006806900000000, 0.0004975000000000 ] - [ -0.0000166300000000, 0.0006716800000000, 0.0005512400000000 ] - [ 0.0004066500000000, -0.0020325300000000, 0.0000580300000000 ] - [ 0.0000239600000000, 0.0005248500000000, 0.0005009400000000 ] - [ -0.0003118200000000, 0.0004963500000000, 0.0007783400000000 ] - [ -0.0000286400000000, -0.0008332000000000, -0.0005159000000000 ] - [ -0.0004220400000000, -0.0001837600000000, 0.0000871400000000 ] - [ -0.0002307900000000, 0.0001419000000000, 0.0000933600000000 ] - [ -0.0003449500000000, 0.0004360900000000, 0.0000288200000000 ] - [ -0.0002113300000000, 0.0002376100000000, 0.0001832600000000 ] - [ -0.0002352500000000, 0.0002290700000000, 0.0000869100000000 ] - [ 0.0008105900000000, 0.0042010700000000, -0.0022727600000000 ] - [ -0.0007317600000000, 0.0006673100000000, 0.0000582500000000 ] - [ -0.0002570800000000, 0.0004794300000000, -0.0001438300000000 ] - [ 0.0015398700000000, 0.0017339200000000, -0.0038884500000000 ] - [ -0.0000881600000000, -0.0001115200000000, -0.0000334200000000 ] - [ -0.0003179500000000, -0.0003652900000000, -0.0010659000000000 ] - [ 0.0003125100000000, -0.0002359900000000, -0.0004057700000000 ] - [ 0.0001514700000000, -0.0003925200000000, -0.0001545700000000 ] - [ 0.0001463200000000, -0.0002164400000000, -0.0002472700000000 ] - [ 0.0002735300000000, -0.0003037500000000, -0.0002709800000000 ] - [ 0.0002251800000000, -0.0001851100000000, -0.0001140100000000 ] - [ 0.0001413600000000, -0.0002586800000000, -0.0002594700000000 ] - [ -0.0001232500000000, -0.0000068000000000, 0.0007216200000000 ] - [ 0.0002229300000000, 0.0001045100000000, -0.0002951000000000 ] - [ 0.0003310100000000, -0.0000705800000000, -0.0000285400000000 ] - [ 0.0001049900000000, -0.0004405300000000, -0.0002569400000000 ] - [ 0.0002557000000000, 0.0001476000000000, -0.0001395100000000 ] - [ 0.0001919000000000, 0.0002263400000000, -0.0001496400000000 ] - [ -0.0026279400000000, -0.0011122100000000, 0.0062770000000000 ] - [ 0.0002800300000000, 0.0001203100000000, -0.0002443200000000 ] - [ 0.0005755300000000, 0.0005763200000000, 0.0001215700000000 ] - [ -0.0000804600000000, -0.0051358000000000, 0.0073699300000000 ] - [ 0.0000489700000000, -0.0000822000000000, 0.0000325800000000 ] - [ -0.0003038700000000, 0.0000658400000000, 0.0004032400000000 ] - [ -0.0000474000000000, 0.0004967400000000, 0.0005018300000000 ] - [ -0.0001318300000000, -0.0002591900000000, 0.0001412600000000 ] - [ -0.0002699500000000, -0.0001724500000000, 0.0002183000000000 ] - [ -0.0000623800000000, -0.0006999100000000, 0.0001359100000000 ] - [ -0.0001348200000000, -0.0002566900000000, 0.0001984300000000 ] - [ -0.0002617100000000, -0.0002018000000000, 0.0001758100000000 ] - [ 0.0011996000000000, 0.0001913300000000, -0.0003963100000000 ] - [ 0.0004023800000000, -0.0005323000000000, -0.0006329700000000 ] - [ 0.0006057300000000, -0.0001875000000000, 0.0000318700000000 ] - [ 0.0008242100000000, -0.0002275100000000, -0.0002558700000000 ] - [ 0.0007985500000000, -0.0002057900000000, -0.0000016200000000 ] - [ 0.0006570100000000, -0.0002095800000000, -0.0000146200000000 ] - [ 0.0021905500000000, -0.0014167100000000, -0.0020784000000000 ] - [ 0.0004923600000000, 0.0001803900000000, -0.0006336400000000 ] - [ 0.0004696800000000, -0.0002164500000000, 0.0000617300000000 ] - [ 0.0021339300000000, -0.0017224600000000, 0.0124486300000000 ] - [ -0.0012655000000000, 0.0002952800000000, 0.0002485100000000 ] - [ -0.0000767600000000, 0.0002381400000000, -0.0005504000000000 ] - [ -0.0009969000000000, -0.0001101100000000, 0.0004649700000000 ] - [ -0.0008472900000000, 0.0000762400000000, 0.0000237000000000 ] - [ -0.0007287000000000, 0.0001379500000000, -0.0000498000000000 ] - [ -0.0010243600000000, 0.0003215500000000, 0.0005508000000000 ] - [ -0.0007379000000000, 0.0002410700000000, 0.0000651900000000 ] - [ -0.0007382200000000, 0.0002253700000000, -0.0000764700000000 ] - [ -0.0001421200000000, 0.0003772700000000, -0.0006896900000000 ] - [ -0.0007201000000000, -0.0001725800000000, -0.0001845100000000 ] - [ -0.0010032100000000, -0.0001559400000000, 0.0001503700000000 ] - [ -0.0003434700000000, -0.0002275600000000, -0.0002247700000000 ] - [ -0.0006712100000000, -0.0002136400000000, -0.0000393100000000 ] - [ -0.0008538300000000, -0.0002036700000000, -0.0000720700000000 ] - [ 0.0028438400000000, -0.0010801600000000, -0.0025908400000000 ] - [ -0.0005890700000000, -0.0001160900000000, -0.0002841600000000 ] - [ -0.0016578000000000, -0.0001179800000000, 0.0000427700000000 ] - [ -0.0295758500000000, -0.0005931200000000, 0.0072937300000000 ] - [ 0.0019137300000000, 0.0000256300000000, 0.0008646200000000 ] - [ 0.0015726600000000, 0.0001940600000000, -0.0003880100000000 ] - [ 0.0005015600000000, 0.0000268700000000, 0.0001584900000000 ] - [ 0.0008054100000000, 0.0001424400000000, 0.0001478800000000 ] - [ 0.0007750900000000, 0.0001143600000000, -0.0000221100000000 ] - [ 0.0003140500000000, 0.0000973300000000, 0.0002840500000000 ] - [ 0.0009114900000000, 0.0001446500000000, 0.0001853200000000 ] - [ 0.0007071600000000, 0.0002190900000000, -0.0000215200000000 ] - [ 0.0398342900000000, -0.0006295300000000, -0.0456097400000000 ] - [ -0.0015386400000000, 0.0006063600000000, -0.0001526200000000 ] - [ -0.0024139500000000, 0.0000780700000000, -0.0005063600000000 ] - [ -0.0005644000000000, 0.0005092200000000, -0.0010295400000000 ] - [ -0.0008569900000000, 0.0004373700000000, -0.0003655300000000 ] - [ -0.0008192100000000, 0.0005385100000000, -0.0003288700000000 ] - [ -0.0004457600000000, 0.0016755800000000, -0.0009798300000000 ] - [ -0.0009192600000000, 0.0003265700000000, -0.0003679500000000 ] - [ -0.0007638900000000, 0.0002279700000000, -0.0003284200000000 ] - [ 0.0004044200000000, -0.0027245500000000, 0.0001515400000000 ] - [ 0.0006799100000000, -0.0002988600000000, 0.0009121700000000 ] - [ 0.0009498700000000, -0.0003202900000000, 0.0000740900000000 ] - [ 0.0002951200000000, -0.0003594900000000, 0.0009626300000000 ] - [ 0.0007368400000000, -0.0002487000000000, 0.0003002100000000 ] - [ 0.0008719200000000, -0.0003258700000000, 0.0002515700000000 ] - [ -0.0027148900000000, 0.0139055600000000, 0.0038152800000000 ] - [ 0.0004850900000000, -0.0003423500000000, 0.0008043500000000 ] - [ 0.0011419500000000, -0.0008236200000000, -0.0002616800000000 ] - [ -0.0119261300000000, -0.0030755500000000, 0.0106767400000000 ] - [ 0.0026364600000000, 0.0002530200000000, -0.0006607800000000 ] - [ 0.0006540800000000, -0.0000112200000000, 0.0015054500000000 ] - [ 0.0013138800000000, 0.0007593900000000, 0.0001129700000000 ] - [ 0.0008465300000000, 0.0006545800000000, 0.0000714000000000 ] - [ 0.0008499500000000, 0.0003486800000000, 0.0004143600000000 ] - [ 0.0012179200000000, -0.0002057400000000, 0.0000754600000000 ] - [ 0.0008027900000000, 0.0002001100000000, 0.0000539800000000 ] - [ 0.0008154600000000, 0.0002681800000000, 0.0004003100000000 ] - [ -0.0013616500000000, -0.0001633200000000, 0.0013379400000000 ] - [ -0.0004373200000000, -0.0002229200000000, -0.0000968600000000 ] - [ -0.0006757900000000, -0.0003738200000000, -0.0001926500000000 ] - [ -0.0009511000000000, -0.0002480300000000, 0.0001714800000000 ] - [ -0.0008526300000000, -0.0002883400000000, -0.0002049200000000 ] - [ -0.0007312200000000, -0.0002800700000000, -0.0001551500000000 ] - [ -0.0022628400000000, -0.0028228700000000, 0.0047256400000000 ] - [ -0.0005255500000000, -0.0004598900000000, 0.0002233900000000 ] - [ -0.0005024500000000, -0.0000042400000000, 0.0002317300000000 ]- atom: 109 displacement: [ 0.0037270334771818, 0.0000000000000000, -0.0092795054534154 ] forces: - [ 0.0032658900000000, -0.0000550900000000, -0.0010027100000000 ] - [ -0.0000623600000000, -0.0006090000000000, 0.0004666000000000 ] - [ -0.0022306200000000, -0.0002851300000000, 0.0015932800000000 ] - [ 0.0001153500000000, -0.0006551700000000, 0.0005277400000000 ] - [ -0.0000658600000000, -0.0006833400000000, 0.0004713200000000 ] - [ -0.0001669000000000, -0.0006809900000000, 0.0004957700000000 ] - [ 0.0001557200000000, -0.0009093300000000, 0.0005732900000000 ] - [ -0.0000584000000000, -0.0005930000000000, 0.0004780200000000 ] - [ -0.0002615600000000, -0.0007084900000000, 0.0004568100000000 ] - [ 0.0000824100000000, -0.0005528600000000, 0.0000550700000000 ] - [ 0.0001030100000000, 0.0007167300000000, -0.0001800300000000 ] - [ 0.0000333500000000, 0.0005886400000000, -0.0004848400000000 ] - [ -0.0000829900000000, 0.0005566500000000, -0.0004395700000000 ] - [ 0.0001677600000000, 0.0005766800000000, -0.0004068800000000 ] - [ 0.0000382500000000, 0.0005918500000000, -0.0004813100000000 ] - [ -0.0005392300000000, 0.0018057200000000, 0.0002983900000000 ] - [ 0.0006390900000000, 0.0004476200000000, -0.0001077000000000 ] - [ 0.0000527800000000, 0.0007138200000000, -0.0004535100000000 ] - [ 0.0004166900000000, -0.0002161600000000, -0.0032026800000000 ] - [ -0.0007894000000000, -0.0006243800000000, -0.0026727100000000 ] - [ -0.0000752500000000, -0.0006204800000000, -0.0005819500000000 ] - [ 0.0000190600000000, -0.0006560000000000, -0.0006431600000000 ] - [ 0.0001194400000000, -0.0007465300000000, -0.0005074400000000 ] - [ -0.0000049200000000, -0.0006636000000000, -0.0005301400000000 ] - [ -0.0000352900000000, -0.0007840800000000, -0.0006927000000000 ] - [ 0.0001523400000000, -0.0005228800000000, -0.0005016200000000 ] - [ 0.0000129100000000, -0.0006065500000000, -0.0005207200000000 ] - [ -0.0004191600000000, -0.0019342000000000, 0.0002881900000000 ] - [ -0.0000897200000000, 0.0005881300000000, 0.0004754100000000 ] - [ 0.0001474500000000, 0.0004670000000000, 0.0003137400000000 ] - [ -0.0000078000000000, 0.0005464500000000, 0.0005633800000000 ] - [ -0.0000582100000000, 0.0005786900000000, 0.0004870500000000 ] - [ -0.0000681800000000, 0.0005873700000000, 0.0004332600000000 ] - [ -0.0004869800000000, 0.0032808400000000, 0.0009256800000000 ] - [ -0.0001086700000000, 0.0007332600000000, 0.0004833100000000 ] - [ 0.0002257100000000, 0.0007618900000000, 0.0002062500000000 ] - [ -0.0004003800000000, 0.0012367100000000, 0.0008408200000000 ] - [ -0.0000089400000000, 0.0005931300000000, 0.0002384600000000 ] - [ -0.0001988300000000, 0.0002683500000000, 0.0002315600000000 ] - [ -0.0000854500000000, -0.0000246700000000, 0.0002971000000000 ] - [ -0.0002188700000000, 0.0001735700000000, 0.0001430200000000 ] - [ -0.0001945800000000, 0.0001821000000000, 0.0002383000000000 ] - [ -0.0012340900000000, -0.0037755300000000, 0.0025961200000000 ] - [ 0.0002985500000000, -0.0002543700000000, 0.0002673600000000 ] - [ -0.0001728900000000, -0.0000674300000000, 0.0004702300000000 ] - [ -0.0011291000000000, -0.0021433600000000, 0.0035631500000000 ] - [ 0.0005181300000000, -0.0002988100000000, -0.0002936700000000 ] - [ 0.0007493600000000, -0.0000450200000000, 0.0007459800000000 ] - [ 0.0001172000000000, -0.0001751400000000, 0.0000822200000000 ] - [ 0.0002783100000000, -0.0000185100000000, -0.0001703700000000 ] - [ 0.0002839800000000, -0.0001948800000000, -0.0000773600000000 ] - [ 0.0001565400000000, -0.0001072200000000, -0.0000530000000000 ] - [ 0.0002049200000000, -0.0002257400000000, -0.0002110500000000 ] - [ 0.0002886700000000, -0.0001517300000000, -0.0000645300000000 ] - [ 0.0005468000000000, 0.0004310100000000, -0.0010461300000000 ] - [ 0.0002073100000000, 0.0003062100000000, -0.0000311100000000 ] - [ 0.0000985000000000, 0.0004819400000000, -0.0002977300000000 ] - [ 0.0003238500000000, 0.0008362200000000, -0.0000711100000000 ] - [ 0.0001745700000000, 0.0002622900000000, -0.0001856300000000 ] - [ 0.0002377900000000, 0.0001838300000000, -0.0001757100000000 ] - [ 0.0030335900000000, 0.0016452000000000, -0.0065966400000000 ] - [ 0.0001504400000000, 0.0002866100000000, -0.0000824500000000 ] - [ -0.0001475100000000, -0.0001690500000000, -0.0004490800000000 ] - [ -0.0004247600000000, 0.0047054300000000, -0.0076999200000000 ] - [ -0.0004822100000000, -0.0003279200000000, 0.0002896100000000 ] - [ -0.0001245000000000, -0.0004773400000000, -0.0000798200000000 ] - [ -0.0003839400000000, -0.0009111000000000, -0.0001794100000000 ] - [ -0.0002986100000000, -0.0001525500000000, 0.0001833900000000 ] - [ -0.0001599500000000, -0.0002389900000000, 0.0001069300000000 ] - [ -0.0003696700000000, 0.0002973500000000, 0.0001887000000000 ] - [ -0.0002956500000000, -0.0001534800000000, 0.0001253900000000 ] - [ -0.0001682900000000, -0.0002088600000000, 0.0001494800000000 ] - [ 0.0002635900000000, -0.0005614300000000, 0.0004194700000000 ] - [ 0.0010596600000000, 0.0001622600000000, 0.0006553300000000 ] - [ 0.0008572200000000, -0.0001820000000000, -0.0000078900000000 ] - [ 0.0006392700000000, -0.0001420600000000, 0.0002794500000000 ] - [ 0.0006643300000000, -0.0001631500000000, 0.0000260300000000 ] - [ 0.0008055100000000, -0.0001592500000000, 0.0000383600000000 ] - [ -0.0007230200000000, 0.0010365400000000, 0.0020897800000000 ] - [ 0.0009687500000000, -0.0005489800000000, 0.0006547400000000 ] - [ 0.0009937200000000, -0.0001525500000000, -0.0000382500000000 ] - [ -0.0035605800000000, 0.0021024000000000, -0.0116628100000000 ] - [ -0.0002005200000000, 0.0000743400000000, -0.0002693300000000 ] - [ -0.0013788500000000, 0.0001316600000000, 0.0005232800000000 ] - [ -0.0004670100000000, 0.0004771600000000, -0.0004867000000000 ] - [ -0.0006156200000000, 0.0002925900000000, -0.0000483100000000 ] - [ -0.0007339300000000, 0.0002310800000000, 0.0000259100000000 ] - [ -0.0004393300000000, 0.0000489100000000, -0.0005722300000000 ] - [ -0.0007245000000000, 0.0001284500000000, -0.0000890400000000 ] - [ -0.0007249400000000, 0.0001437300000000, 0.0000515100000000 ] - [ -0.0013215200000000, -0.0007500900000000, 0.0006657200000000 ] - [ -0.0007425700000000, -0.0001963900000000, 0.0001602900000000 ] - [ -0.0004576700000000, -0.0002149400000000, -0.0001742700000000 ] - [ -0.0011205900000000, -0.0001417200000000, 0.0002002000000000 ] - [ -0.0007916500000000, -0.0001551800000000, 0.0000154300000000 ] - [ -0.0006090700000000, -0.0001649400000000, 0.0000470900000000 ] - [ -0.0043166500000000, 0.0007201200000000, 0.0025692300000000 ] - [ -0.0008735000000000, -0.0002528300000000, 0.0002591400000000 ] - [ 0.0002021100000000, -0.0002484400000000, -0.0000665400000000 ] - [ 0.0304488100000000, 0.0009991900000000, -0.0073281000000000 ] - [ -0.0004417100000000, 0.0003416900000000, -0.0008451400000000 ] - [ -0.0001202800000000, 0.0001743300000000, 0.0004172600000000 ] - [ 0.0009550200000000, 0.0003417200000000, -0.0001311300000000 ] - [ 0.0006583400000000, 0.0002266700000000, -0.0001232100000000 ] - [ 0.0006872600000000, 0.0002545300000000, 0.0000472800000000 ] - [ 0.0011423200000000, 0.0002704800000000, -0.0002576800000000 ] - [ 0.0005534000000000, 0.0002239000000000, -0.0001605900000000 ] - [ 0.0007547800000000, 0.0001495400000000, 0.0000459800000000 ] - [ -0.0407451100000000, 0.0011758400000000, 0.0448449900000000 ] - [ -0.0000849200000000, 0.0000388100000000, -0.0004476900000000 ] - [ 0.0008135900000000, 0.0005662900000000, -0.0000886500000000 ] - [ -0.0010472300000000, 0.0001319700000000, 0.0004271000000000 ] - [ -0.0007659600000000, 0.0002044200000000, -0.0002334700000000 ] - [ -0.0008027700000000, 0.0001031300000000, -0.0002713000000000 ] - [ -0.0011696700000000, -0.0010076900000000, 0.0003801400000000 ] - [ -0.0007047100000000, 0.0003156400000000, -0.0002305100000000 ] - [ -0.0008575400000000, 0.0004141100000000, -0.0002710400000000 ] - [ 0.0012184900000000, 0.0020871200000000, 0.0004583800000000 ] - [ 0.0009425000000000, -0.0003421500000000, -0.0003101200000000 ] - [ 0.0006709300000000, -0.0003206500000000, 0.0005278900000000 ] - [ 0.0013308800000000, -0.0002823900000000, -0.0003573800000000 ] - [ 0.0008859500000000, -0.0003932400000000, 0.0002994500000000 ] - [ 0.0007510700000000, -0.0003148100000000, 0.0003490500000000 ] - [ 0.0043437900000000, -0.0146101800000000, -0.0032329700000000 ] - [ 0.0011374000000000, -0.0002993800000000, -0.0002002300000000 ] - [ 0.0004784700000000, 0.0001834500000000, 0.0008657100000000 ] - [ 0.0134675600000000, 0.0036951100000000, -0.0099743700000000 ] - [ -0.0010118400000000, 0.0003869100000000, 0.0012581500000000 ] - [ 0.0009662500000000, 0.0006520400000000, -0.0009119500000000 ] - [ 0.0003112000000000, -0.0001150500000000, 0.0004812100000000 ] - [ 0.0007759100000000, -0.0000116000000000, 0.0005270800000000 ] - [ 0.0007726500000000, 0.0002933200000000, 0.0001845900000000 ] - [ 0.0004062400000000, 0.0008467100000000, 0.0005204600000000 ] - [ 0.0008187500000000, 0.0004406600000000, 0.0005447600000000 ] - [ 0.0008071100000000, 0.0003729500000000, 0.0001984600000000 ] - [ -0.0002606000000000, -0.0004782100000000, -0.0019378100000000 ] - [ -0.0011844200000000, -0.0004176900000000, -0.0005037400000000 ] - [ -0.0009463100000000, -0.0002668100000000, -0.0004081900000000 ] - [ -0.0006716600000000, -0.0003934900000000, -0.0007717800000000 ] - [ -0.0007697700000000, -0.0003525300000000, -0.0003966300000000 ] - [ -0.0008909500000000, -0.0003612800000000, -0.0004443800000000 ] - [ 0.0006334900000000, 0.0021790700000000, -0.0053240400000000 ] - [ -0.0010952700000000, -0.0001815400000000, -0.0008232300000000 ] - [ -0.0011201400000000, -0.0006385500000000, -0.0008341700000000 ]