# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/010cbb03-eb1f-4a91-ac84-f9a31b9bd096/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 MgH12(BrO6)2 / Pa-3 (205) / materials id 24006](https://mdr.nims.go.jp/datasets/3ee9ff52-1781-40e2-b083-c5ffdb09abc7) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pa-3" number: 205 Hall_symbol: "-P 2ac 2ab 3"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.120678370000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.120678370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.120678370000000 ] # c points: - symbol: H # 1 coordinates: [ 0.252785020000000, 0.032727860000000, 0.426034480000000 ] mass: 1.007940 - symbol: H # 2 coordinates: [ 0.752785020000000, 0.467272140000000, 0.573965520000000 ] mass: 1.007940 - symbol: H # 3 coordinates: [ 0.747214980000000, 0.532727860000000, 0.073965520000000 ] mass: 1.007940 - symbol: H # 4 coordinates: [ 0.467272140000000, 0.573965520000000, 0.752785020000000 ] mass: 1.007940 - symbol: H # 5 coordinates: [ 0.073965520000000, 0.747214980000000, 0.532727860000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.573965520000000, 0.752785020000000, 0.467272140000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.032727860000000, 0.426034480000000, 0.252785020000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.426034480000000, 0.252785020000000, 0.032727860000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.532727860000000, 0.073965520000000, 0.747214980000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.967272140000000, 0.926034480000000, 0.247214980000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.926034480000000, 0.247214980000000, 0.967272140000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.247214980000000, 0.967272140000000, 0.926034480000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.252785020000000, 0.467272140000000, 0.926034480000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.532727860000000, 0.426034480000000, 0.247214980000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.926034480000000, 0.252785020000000, 0.467272140000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.426034480000000, 0.247214980000000, 0.532727860000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.967272140000000, 0.573965520000000, 0.747214980000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.573965520000000, 0.747214980000000, 0.967272140000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.467272140000000, 0.926034480000000, 0.252785020000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.032727860000000, 0.073965520000000, 0.752785020000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.073965520000000, 0.752785020000000, 0.032727860000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.752785020000000, 0.032727860000000, 0.073965520000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.583252270000000, 0.036219610000000, 0.249306230000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.083252270000000, 0.463780390000000, 0.750693770000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.416747730000000, 0.536219610000000, 0.250693770000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.463780390000000, 0.750693770000000, 0.083252270000000 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.250693770000000, 0.416747730000000, 0.536219610000000 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.750693770000000, 0.083252270000000, 0.463780390000000 ] mass: 1.007940 - symbol: H # 29 coordinates: [ 0.036219610000000, 0.249306230000000, 0.583252270000000 ] mass: 1.007940 - symbol: H # 30 coordinates: [ 0.249306230000000, 0.583252270000000, 0.036219610000000 ] mass: 1.007940 - symbol: H # 31 coordinates: [ 0.536219610000000, 0.250693770000000, 0.416747730000000 ] mass: 1.007940 - symbol: H # 32 coordinates: [ 0.963780390000000, 0.749306230000000, 0.916747730000000 ] mass: 1.007940 - symbol: H # 33 coordinates: [ 0.749306230000000, 0.916747730000000, 0.963780390000000 ] mass: 1.007940 - symbol: H # 34 coordinates: [ 0.916747730000000, 0.963780390000000, 0.749306230000000 ] mass: 1.007940 - symbol: H # 35 coordinates: [ 0.416747730000000, 0.963780390000000, 0.750693770000000 ] mass: 1.007940 - symbol: H # 36 coordinates: [ 0.916747730000000, 0.536219610000000, 0.249306230000000 ] mass: 1.007940 - symbol: H # 37 coordinates: [ 0.583252270000000, 0.463780390000000, 0.749306230000000 ] mass: 1.007940 - symbol: H # 38 coordinates: [ 0.536219610000000, 0.249306230000000, 0.916747730000000 ] mass: 1.007940 - symbol: H # 39 coordinates: [ 0.749306230000000, 0.583252270000000, 0.463780390000000 ] mass: 1.007940 - symbol: H # 40 coordinates: [ 0.249306230000000, 0.916747730000000, 0.536219610000000 ] mass: 1.007940 - symbol: H # 41 coordinates: [ 0.963780390000000, 0.750693770000000, 0.416747730000000 ] mass: 1.007940 - symbol: H # 42 coordinates: [ 0.750693770000000, 0.416747730000000, 0.963780390000000 ] mass: 1.007940 - symbol: H # 43 coordinates: [ 0.463780390000000, 0.749306230000000, 0.583252270000000 ] mass: 1.007940 - symbol: H # 44 coordinates: [ 0.036219610000000, 0.250693770000000, 0.083252270000000 ] mass: 1.007940 - symbol: H # 45 coordinates: [ 0.250693770000000, 0.083252270000000, 0.036219610000000 ] mass: 1.007940 - symbol: H # 46 coordinates: [ 0.083252270000000, 0.036219610000000, 0.250693770000000 ] mass: 1.007940 - symbol: H # 47 coordinates: [ 0.747214980000000, 0.967272140000000, 0.573965520000000 ] mass: 1.007940 - symbol: H # 48 coordinates: [ 0.247214980000000, 0.532727860000000, 0.426034480000000 ] mass: 1.007940 - symbol: O # 49 coordinates: [ 0.954740550000000, 0.038192660000000, 0.802659270000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.802659270000000, 0.954740550000000, 0.038192660000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.038192660000000, 0.802659270000000, 0.954740550000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.461807340000000, 0.197340730000000, 0.454740550000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.302659270000000, 0.545259450000000, 0.961807340000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.961807340000000, 0.302659270000000, 0.545259450000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.954740550000000, 0.461807340000000, 0.302659270000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.197340730000000, 0.454740550000000, 0.461807340000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.538192660000000, 0.697340730000000, 0.045259450000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.454740550000000, 0.461807340000000, 0.197340730000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.045259450000000, 0.538192660000000, 0.697340730000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.545259450000000, 0.961807340000000, 0.302659270000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.545259450000000, 0.538192660000000, 0.802659270000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.461807340000000, 0.302659270000000, 0.954740550000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.802659270000000, 0.545259450000000, 0.538192660000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.302659270000000, 0.954740550000000, 0.461807340000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.038192660000000, 0.697340730000000, 0.454740550000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.697340730000000, 0.454740550000000, 0.038192660000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.538192660000000, 0.802659270000000, 0.545259450000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.961807340000000, 0.197340730000000, 0.045259450000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.197340730000000, 0.045259450000000, 0.961807340000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.045259450000000, 0.961807340000000, 0.197340730000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.668357940000000, 0.147173960000000, 0.158551090000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.168357940000000, 0.352826040000000, 0.841448910000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.331642060000000, 0.647173960000000, 0.341448910000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.352826040000000, 0.841448910000000, 0.168357940000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.341448910000000, 0.331642060000000, 0.647173960000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.841448910000000, 0.168357940000000, 0.352826040000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.147173960000000, 0.158551090000000, 0.668357940000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.158551090000000, 0.668357940000000, 0.147173960000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.647173960000000, 0.341448910000000, 0.331642060000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.852826040000000, 0.658551090000000, 0.831642060000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.658551090000000, 0.831642060000000, 0.852826040000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.831642060000000, 0.852826040000000, 0.658551090000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.331642060000000, 0.852826040000000, 0.841448910000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.831642060000000, 0.647173960000000, 0.158551090000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.668357940000000, 0.352826040000000, 0.658551090000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.647173960000000, 0.158551090000000, 0.831642060000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.658551090000000, 0.668357940000000, 0.352826040000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.158551090000000, 0.831642060000000, 0.647173960000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.852826040000000, 0.841448910000000, 0.331642060000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.841448910000000, 0.331642060000000, 0.852826040000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.352826040000000, 0.658551090000000, 0.668357940000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.147173960000000, 0.341448910000000, 0.168357940000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.341448910000000, 0.168357940000000, 0.147173960000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.168357940000000, 0.147173960000000, 0.341448910000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.454740550000000, 0.038192660000000, 0.697340730000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.697340730000000, 0.045259450000000, 0.538192660000000 ] mass: 15.999400 - symbol: Mg # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 24.305000 - symbol: Mg # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 24.305000 - symbol: Mg # 99 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 24.305000 - symbol: Mg # 100 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 24.305000 - symbol: Br # 101 coordinates: [ 0.239943240000000, 0.739943240000000, 0.760056760000000 ] mass: 79.904000 - symbol: Br # 102 coordinates: [ 0.760056760000000, 0.239943240000000, 0.739943240000000 ] mass: 79.904000 - symbol: Br # 103 coordinates: [ 0.739943240000000, 0.760056760000000, 0.239943240000000 ] mass: 79.904000 - symbol: Br # 104 coordinates: [ 0.260056760000000, 0.260056760000000, 0.260056760000000 ] mass: 79.904000 - symbol: Br # 105 coordinates: [ 0.739943240000000, 0.739943240000000, 0.739943240000000 ] mass: 79.904000 - symbol: Br # 106 coordinates: [ 0.760056760000000, 0.260056760000000, 0.239943240000000 ] mass: 79.904000 - symbol: Br # 107 coordinates: [ 0.239943240000000, 0.760056760000000, 0.260056760000000 ] mass: 79.904000 - symbol: Br # 108 coordinates: [ 0.260056760000000, 0.239943240000000, 0.760056760000000 ] mass: 79.904000 reciprocal_lattice: # without 2pi - [ 0.098807605917428, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.098807605917428, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.098807605917428 ] # c*unit_cell: lattice: - [ 10.120678370000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.120678370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.120678370000000 ] # c points: - symbol: H # 1 coordinates: [ 0.252785020000000, 0.032727860000000, 0.426034480000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.752785020000000, 0.467272140000000, 0.573965520000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 3 coordinates: [ 0.747214980000000, 0.532727860000000, 0.073965520000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.467272140000000, 0.573965520000000, 0.752785020000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.073965520000000, 0.747214980000000, 0.532727860000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.573965520000000, 0.752785020000000, 0.467272140000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.032727860000000, 0.426034480000000, 0.252785020000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.426034480000000, 0.252785020000000, 0.032727860000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.532727860000000, 0.073965520000000, 0.747214980000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.967272140000000, 0.926034480000000, 0.247214980000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.926034480000000, 0.247214980000000, 0.967272140000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.247214980000000, 0.967272140000000, 0.926034480000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.252785020000000, 0.467272140000000, 0.926034480000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.532727860000000, 0.426034480000000, 0.247214980000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.926034480000000, 0.252785020000000, 0.467272140000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.426034480000000, 0.247214980000000, 0.532727860000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.967272140000000, 0.573965520000000, 0.747214980000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.573965520000000, 0.747214980000000, 0.967272140000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.467272140000000, 0.926034480000000, 0.252785020000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.032727860000000, 0.073965520000000, 0.752785020000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.073965520000000, 0.752785020000000, 0.032727860000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.752785020000000, 0.032727860000000, 0.073965520000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.583252270000000, 0.036219610000000, 0.249306230000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.083252270000000, 0.463780390000000, 0.750693770000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.416747730000000, 0.536219610000000, 0.250693770000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.463780390000000, 0.750693770000000, 0.083252270000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.250693770000000, 0.416747730000000, 0.536219610000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.750693770000000, 0.083252270000000, 0.463780390000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.036219610000000, 0.249306230000000, 0.583252270000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.249306230000000, 0.583252270000000, 0.036219610000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.536219610000000, 0.250693770000000, 0.416747730000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.963780390000000, 0.749306230000000, 0.916747730000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 33 coordinates: [ 0.749306230000000, 0.916747730000000, 0.963780390000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.916747730000000, 0.963780390000000, 0.749306230000000 ] mass: 1.007940 reduced_to: 34 - symbol: H # 35 coordinates: [ 0.416747730000000, 0.963780390000000, 0.750693770000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 36 coordinates: [ 0.916747730000000, 0.536219610000000, 0.249306230000000 ] mass: 1.007940 reduced_to: 36 - symbol: H # 37 coordinates: [ 0.583252270000000, 0.463780390000000, 0.749306230000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.536219610000000, 0.249306230000000, 0.916747730000000 ] mass: 1.007940 reduced_to: 38 - symbol: H # 39 coordinates: [ 0.749306230000000, 0.583252270000000, 0.463780390000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 40 coordinates: [ 0.249306230000000, 0.916747730000000, 0.536219610000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 41 coordinates: [ 0.963780390000000, 0.750693770000000, 0.416747730000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.750693770000000, 0.416747730000000, 0.963780390000000 ] mass: 1.007940 reduced_to: 42 - symbol: H # 43 coordinates: [ 0.463780390000000, 0.749306230000000, 0.583252270000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.036219610000000, 0.250693770000000, 0.083252270000000 ] mass: 1.007940 reduced_to: 44 - symbol: H # 45 coordinates: [ 0.250693770000000, 0.083252270000000, 0.036219610000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.083252270000000, 0.036219610000000, 0.250693770000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 47 coordinates: [ 0.747214980000000, 0.967272140000000, 0.573965520000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 48 coordinates: [ 0.247214980000000, 0.532727860000000, 0.426034480000000 ] mass: 1.007940 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.954740550000000, 0.038192660000000, 0.802659270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.802659270000000, 0.954740550000000, 0.038192660000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.038192660000000, 0.802659270000000, 0.954740550000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.461807340000000, 0.197340730000000, 0.454740550000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.302659270000000, 0.545259450000000, 0.961807340000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.961807340000000, 0.302659270000000, 0.545259450000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.954740550000000, 0.461807340000000, 0.302659270000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.197340730000000, 0.454740550000000, 0.461807340000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.538192660000000, 0.697340730000000, 0.045259450000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.454740550000000, 0.461807340000000, 0.197340730000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.045259450000000, 0.538192660000000, 0.697340730000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.545259450000000, 0.961807340000000, 0.302659270000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.545259450000000, 0.538192660000000, 0.802659270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.461807340000000, 0.302659270000000, 0.954740550000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.802659270000000, 0.545259450000000, 0.538192660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.302659270000000, 0.954740550000000, 0.461807340000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.038192660000000, 0.697340730000000, 0.454740550000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.697340730000000, 0.454740550000000, 0.038192660000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.538192660000000, 0.802659270000000, 0.545259450000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.961807340000000, 0.197340730000000, 0.045259450000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.197340730000000, 0.045259450000000, 0.961807340000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.045259450000000, 0.961807340000000, 0.197340730000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.668357940000000, 0.147173960000000, 0.158551090000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.168357940000000, 0.352826040000000, 0.841448910000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.331642060000000, 0.647173960000000, 0.341448910000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.352826040000000, 0.841448910000000, 0.168357940000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.341448910000000, 0.331642060000000, 0.647173960000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.841448910000000, 0.168357940000000, 0.352826040000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.147173960000000, 0.158551090000000, 0.668357940000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.158551090000000, 0.668357940000000, 0.147173960000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.647173960000000, 0.341448910000000, 0.331642060000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.852826040000000, 0.658551090000000, 0.831642060000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.658551090000000, 0.831642060000000, 0.852826040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.831642060000000, 0.852826040000000, 0.658551090000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.331642060000000, 0.852826040000000, 0.841448910000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.831642060000000, 0.647173960000000, 0.158551090000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.668357940000000, 0.352826040000000, 0.658551090000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.647173960000000, 0.158551090000000, 0.831642060000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.658551090000000, 0.668357940000000, 0.352826040000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.158551090000000, 0.831642060000000, 0.647173960000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.852826040000000, 0.841448910000000, 0.331642060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.841448910000000, 0.331642060000000, 0.852826040000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.352826040000000, 0.658551090000000, 0.668357940000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.147173960000000, 0.341448910000000, 0.168357940000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.341448910000000, 0.168357940000000, 0.147173960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.168357940000000, 0.147173960000000, 0.341448910000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.454740550000000, 0.038192660000000, 0.697340730000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.697340730000000, 0.045259450000000, 0.538192660000000 ] mass: 15.999400 reduced_to: 96 - symbol: Mg # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 97 - symbol: Mg # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 98 - symbol: Mg # 99 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 99 - symbol: Mg # 100 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 100 - symbol: Br # 101 coordinates: [ 0.239943240000000, 0.739943240000000, 0.760056760000000 ] mass: 79.904000 reduced_to: 101 - symbol: Br # 102 coordinates: [ 0.760056760000000, 0.239943240000000, 0.739943240000000 ] mass: 79.904000 reduced_to: 102 - symbol: Br # 103 coordinates: [ 0.739943240000000, 0.760056760000000, 0.239943240000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 104 coordinates: [ 0.260056760000000, 0.260056760000000, 0.260056760000000 ] mass: 79.904000 reduced_to: 104 - symbol: Br # 105 coordinates: [ 0.739943240000000, 0.739943240000000, 0.739943240000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 106 coordinates: [ 0.760056760000000, 0.260056760000000, 0.239943240000000 ] mass: 79.904000 reduced_to: 106 - symbol: Br # 107 coordinates: [ 0.239943240000000, 0.760056760000000, 0.260056760000000 ] mass: 79.904000 reduced_to: 107 - symbol: Br # 108 coordinates: [ 0.260056760000000, 0.239943240000000, 0.760056760000000 ] mass: 79.904000 reduced_to: 108supercell: lattice: - [ 10.120678370000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.120678370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.120678370000000 ] # c points: - symbol: H # 1 coordinates: [ 0.252785020000000, 0.032727860000000, 0.426034480000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.752785020000000, 0.467272140000000, 0.573965520000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 3 coordinates: [ 0.747214980000000, 0.532727860000000, 0.073965520000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.467272140000000, 0.573965520000000, 0.752785020000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.073965520000000, 0.747214980000000, 0.532727860000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.573965520000000, 0.752785020000000, 0.467272140000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.032727860000000, 0.426034480000000, 0.252785020000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.426034480000000, 0.252785020000000, 0.032727860000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.532727860000000, 0.073965520000000, 0.747214980000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.967272140000000, 0.926034480000000, 0.247214980000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.926034480000000, 0.247214980000000, 0.967272140000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.247214980000000, 0.967272140000000, 0.926034480000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.252785020000000, 0.467272140000000, 0.926034480000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.532727860000000, 0.426034480000000, 0.247214980000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.926034480000000, 0.252785020000000, 0.467272140000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.426034480000000, 0.247214980000000, 0.532727860000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.967272140000000, 0.573965520000000, 0.747214980000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.573965520000000, 0.747214980000000, 0.967272140000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.467272140000000, 0.926034480000000, 0.252785020000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.032727860000000, 0.073965520000000, 0.752785020000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.073965520000000, 0.752785020000000, 0.032727860000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.752785020000000, 0.032727860000000, 0.073965520000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.583252270000000, 0.036219610000000, 0.249306230000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.083252270000000, 0.463780390000000, 0.750693770000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.416747730000000, 0.536219610000000, 0.250693770000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.463780390000000, 0.750693770000000, 0.083252270000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.250693770000000, 0.416747730000000, 0.536219610000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.750693770000000, 0.083252270000000, 0.463780390000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.036219610000000, 0.249306230000000, 0.583252270000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.249306230000000, 0.583252270000000, 0.036219610000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.536219610000000, 0.250693770000000, 0.416747730000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.963780390000000, 0.749306230000000, 0.916747730000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 33 coordinates: [ 0.749306230000000, 0.916747730000000, 0.963780390000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.916747730000000, 0.963780390000000, 0.749306230000000 ] mass: 1.007940 reduced_to: 34 - symbol: H # 35 coordinates: [ 0.416747730000000, 0.963780390000000, 0.750693770000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 36 coordinates: [ 0.916747730000000, 0.536219610000000, 0.249306230000000 ] mass: 1.007940 reduced_to: 36 - symbol: H # 37 coordinates: [ 0.583252270000000, 0.463780390000000, 0.749306230000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.536219610000000, 0.249306230000000, 0.916747730000000 ] mass: 1.007940 reduced_to: 38 - symbol: H # 39 coordinates: [ 0.749306230000000, 0.583252270000000, 0.463780390000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 40 coordinates: [ 0.249306230000000, 0.916747730000000, 0.536219610000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 41 coordinates: [ 0.963780390000000, 0.750693770000000, 0.416747730000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.750693770000000, 0.416747730000000, 0.963780390000000 ] mass: 1.007940 reduced_to: 42 - symbol: H # 43 coordinates: [ 0.463780390000000, 0.749306230000000, 0.583252270000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.036219610000000, 0.250693770000000, 0.083252270000000 ] mass: 1.007940 reduced_to: 44 - symbol: H # 45 coordinates: [ 0.250693770000000, 0.083252270000000, 0.036219610000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.083252270000000, 0.036219610000000, 0.250693770000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 47 coordinates: [ 0.747214980000000, 0.967272140000000, 0.573965520000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 48 coordinates: [ 0.247214980000000, 0.532727860000000, 0.426034480000000 ] mass: 1.007940 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.954740550000000, 0.038192660000000, 0.802659270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.802659270000000, 0.954740550000000, 0.038192660000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.038192660000000, 0.802659270000000, 0.954740550000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.461807340000000, 0.197340730000000, 0.454740550000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.302659270000000, 0.545259450000000, 0.961807340000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.961807340000000, 0.302659270000000, 0.545259450000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.954740550000000, 0.461807340000000, 0.302659270000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.197340730000000, 0.454740550000000, 0.461807340000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.538192660000000, 0.697340730000000, 0.045259450000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.454740550000000, 0.461807340000000, 0.197340730000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.045259450000000, 0.538192660000000, 0.697340730000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.545259450000000, 0.961807340000000, 0.302659270000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.545259450000000, 0.538192660000000, 0.802659270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.461807340000000, 0.302659270000000, 0.954740550000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.802659270000000, 0.545259450000000, 0.538192660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.302659270000000, 0.954740550000000, 0.461807340000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.038192660000000, 0.697340730000000, 0.454740550000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.697340730000000, 0.454740550000000, 0.038192660000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.538192660000000, 0.802659270000000, 0.545259450000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.961807340000000, 0.197340730000000, 0.045259450000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.197340730000000, 0.045259450000000, 0.961807340000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.045259450000000, 0.961807340000000, 0.197340730000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.668357940000000, 0.147173960000000, 0.158551090000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.168357940000000, 0.352826040000000, 0.841448910000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.331642060000000, 0.647173960000000, 0.341448910000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.352826040000000, 0.841448910000000, 0.168357940000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.341448910000000, 0.331642060000000, 0.647173960000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.841448910000000, 0.168357940000000, 0.352826040000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.147173960000000, 0.158551090000000, 0.668357940000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.158551090000000, 0.668357940000000, 0.147173960000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.647173960000000, 0.341448910000000, 0.331642060000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.852826040000000, 0.658551090000000, 0.831642060000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.658551090000000, 0.831642060000000, 0.852826040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.831642060000000, 0.852826040000000, 0.658551090000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.331642060000000, 0.852826040000000, 0.841448910000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.831642060000000, 0.647173960000000, 0.158551090000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.668357940000000, 0.352826040000000, 0.658551090000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.647173960000000, 0.158551090000000, 0.831642060000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.658551090000000, 0.668357940000000, 0.352826040000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.158551090000000, 0.831642060000000, 0.647173960000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.852826040000000, 0.841448910000000, 0.331642060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.841448910000000, 0.331642060000000, 0.852826040000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.352826040000000, 0.658551090000000, 0.668357940000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.147173960000000, 0.341448910000000, 0.168357940000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.341448910000000, 0.168357940000000, 0.147173960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.168357940000000, 0.147173960000000, 0.341448910000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.454740550000000, 0.038192660000000, 0.697340730000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.697340730000000, 0.045259450000000, 0.538192660000000 ] mass: 15.999400 reduced_to: 96 - symbol: Mg # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 97 - symbol: Mg # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 98 - symbol: Mg # 99 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 99 - symbol: Mg # 100 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 100 - symbol: Br # 101 coordinates: [ 0.239943240000000, 0.739943240000000, 0.760056760000000 ] mass: 79.904000 reduced_to: 101 - symbol: Br # 102 coordinates: [ 0.760056760000000, 0.239943240000000, 0.739943240000000 ] mass: 79.904000 reduced_to: 102 - symbol: Br # 103 coordinates: [ 0.739943240000000, 0.760056760000000, 0.239943240000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 104 coordinates: [ 0.260056760000000, 0.260056760000000, 0.260056760000000 ] mass: 79.904000 reduced_to: 104 - symbol: Br # 105 coordinates: [ 0.739943240000000, 0.739943240000000, 0.739943240000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 106 coordinates: [ 0.760056760000000, 0.260056760000000, 0.239943240000000 ] mass: 79.904000 reduced_to: 106 - symbol: Br # 107 coordinates: [ 0.239943240000000, 0.760056760000000, 0.260056760000000 ] mass: 79.904000 reduced_to: 107 - symbol: Br # 108 coordinates: [ 0.260056760000000, 0.239943240000000, 0.760056760000000 ] mass: 79.904000 reduced_to: 108displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1237187400000000, 0.1218362700000000, -0.0457917400000000 ] - [ 0.0001862500000000, -0.0000263700000000, -0.0000376000000000 ] - [ -0.0001027100000000, -0.0000462300000000, -0.0000046700000000 ] - [ 0.0002877700000000, -0.0002470100000000, 0.0003123800000000 ] - [ -0.0005598700000000, -0.0002835300000000, -0.0004397200000000 ] - [ 0.0002133600000000, -0.0000637200000000, -0.0001221200000000 ] - [ 0.0009892200000000, -0.0008103900000000, -0.0004223400000000 ] - [ -0.0006012500000000, -0.0004225500000000, 0.0009009900000000 ] - [ 0.0004478300000000, 0.0003959900000000, 0.0000652800000000 ] - [ 0.0006853900000000, 0.0004007500000000, -0.0002846900000000 ] - [ 0.0002098500000000, -0.0003128200000000, 0.0003199100000000 ] - [ -0.0004697300000000, 0.0005337400000000, 0.0003767400000000 ] - [ 0.0000336300000000, -0.0002340200000000, 0.0001821300000000 ] - [ -0.0001775600000000, 0.0001328100000000, -0.0002671900000000 ] - [ 0.0004285900000000, 0.0000583800000000, -0.0000357400000000 ] - [ -0.0003712200000000, 0.0007413200000000, 0.0008309000000000 ] - [ -0.0000452900000000, -0.0000627000000000, -0.0001059900000000 ] - [ 0.0000357700000000, -0.0001061200000000, -0.0000017200000000 ] - [ 0.0003219800000000, -0.0005250700000000, -0.0007423300000000 ] - [ -0.0000084600000000, 0.0000500300000000, 0.0000572200000000 ] - [ -0.0001321900000000, 0.0002647300000000, -0.0000106900000000 ] - [ 0.0002109800000000, 0.0000750300000000, -0.0000220700000000 ] - [ 0.0004708100000000, 0.0004314200000000, -0.0004702900000000 ] - [ 0.0001152300000000, -0.0000063700000000, -0.0000159800000000 ] - [ 0.0001649000000000, -0.0006404600000000, -0.0003009700000000 ] - [ 0.0003299900000000, -0.0002000800000000, -0.0000413300000000 ] - [ -0.0002554600000000, -0.0000174700000000, -0.0004122000000000 ] - [ 0.0002450700000000, 0.0002348700000000, -0.0000609400000000 ] - [ -0.0001373400000000, -0.0000869700000000, -0.0004336900000000 ] - [ 0.0001762200000000, -0.0002936300000000, -0.0002140900000000 ] - [ 0.0007428700000000, 0.0001540800000000, -0.0013093400000000 ] - [ 0.0001130400000000, 0.0000343800000000, -0.0000226600000000 ] - [ 0.0001149900000000, 0.0000265400000000, 0.0002483200000000 ] - [ -0.0000300100000000, 0.0002928400000000, 0.0000554500000000 ] - [ -0.0000238900000000, 0.0000781500000000, 0.0001589000000000 ] - [ 0.0000746300000000, -0.0004168800000000, 0.0002328000000000 ] - [ 0.0001069200000000, 0.0000617300000000, 0.0000452800000000 ] - [ -0.0003190500000000, 0.0002267800000000, 0.0000926200000000 ] - [ 0.0000999400000000, 0.0000386000000000, 0.0001215800000000 ] - [ -0.0135514100000000, 0.0151942400000000, -0.0046389700000000 ] - [ 0.0001203600000000, 0.0001632800000000, -0.0001520700000000 ] - [ -0.0000474900000000, -0.0000801500000000, 0.0002026500000000 ] - [ 0.0005650100000000, 0.0000460300000000, 0.0000353200000000 ] - [ 0.0007663300000000, 0.0003939500000000, 0.0008828400000000 ] - [ 0.0003208900000000, 0.0007077000000000, 0.0007286800000000 ] - [ 0.0018009300000000, 0.0007672200000000, 0.0019882600000000 ] - [ -0.0000165300000000, -0.0000811400000000, 0.0000345000000000 ] - [ -0.0003648100000000, -0.0005062100000000, 0.0001842700000000 ] - [ 0.0002515200000000, -0.0003944800000000, -0.0002354400000000 ] - [ -0.0003799000000000, 0.0001179100000000, -0.0003491100000000 ] - [ -0.0000661300000000, -0.0004009400000000, 0.0000446100000000 ] - [ -0.0012353000000000, -0.0024619400000000, 0.0015345600000000 ] - [ -0.0002446200000000, 0.0002384000000000, -0.0000132400000000 ] - [ -0.0000309400000000, -0.0000124200000000, 0.0000496200000000 ] - [ -0.0003868300000000, 0.0008142200000000, 0.0001256700000000 ] - [ 0.0003518400000000, 0.0009975300000000, 0.0006325800000000 ] - [ -0.0003690200000000, 0.0003328400000000, -0.0003040100000000 ] - [ 0.0007276900000000, 0.0009194400000000, 0.0001230100000000 ] - [ -0.0002240900000000, 0.0000963700000000, 0.0002374400000000 ] - [ -0.0016129600000000, 0.0006897600000000, 0.0008317400000000 ] - [ -0.0004956200000000, 0.0000089100000000, -0.0003333100000000 ] - [ 0.0006574600000000, 0.0001686000000000, -0.0003913400000000 ] - [ -0.0002619800000000, -0.0001961700000000, -0.0001317400000000 ] - [ 0.1234916700000000, -0.1400365700000000, 0.0560308400000000 ] - [ 0.0001282600000000, 0.0002551400000000, 0.0006142100000000 ] - [ 0.0001516100000000, 0.0003838200000000, -0.0002990200000000 ] - [ -0.0001347900000000, -0.0002978200000000, -0.0000771400000000 ] - [ -0.0005192500000000, -0.0000290000000000, -0.0009202500000000 ] - [ 0.0001590800000000, -0.0009716300000000, -0.0006179600000000 ] - [ -0.0011630000000000, -0.0008652300000000, -0.0008135500000000 ] - [ -0.0003253500000000, -0.0002412200000000, -0.0001925300000000 ] - [ 0.0002273700000000, -0.0000579300000000, 0.0000395200000000 ] - [ 0.0000103700000000, 0.0008781900000000, 0.0005721000000000 ] - [ 0.0001516900000000, 0.0007432300000000, 0.0003945200000000 ] - [ 0.0009162000000000, 0.0000097700000000, -0.0006398500000000 ] - [ -0.0002521500000000, 0.0001346100000000, -0.0003167000000000 ] - [ 0.0009648500000000, -0.0003315200000000, 0.0002832700000000 ] - [ 0.0000043300000000, 0.0008444000000000, 0.0010176100000000 ] - [ -0.0006798400000000, 0.0001666400000000, 0.0006526600000000 ] - [ -0.0001265600000000, -0.0002481100000000, -0.0000176600000000 ] - [ -0.0004328000000000, 0.0000523200000000, -0.0001174300000000 ] - [ -0.0000325800000000, -0.0001178000000000, -0.0003299000000000 ] - [ -0.0001073700000000, -0.0005579700000000, -0.0002572000000000 ] - [ -0.0002106100000000, 0.0003341900000000, -0.0003495600000000 ] - [ -0.0002780000000000, -0.0000136200000000, -0.0004117200000000 ] - [ -0.0001914700000000, -0.0005650000000000, -0.0000929600000000 ] - [ -0.0005770100000000, -0.0000550500000000, 0.0001061000000000 ] - [ 0.0019546900000000, 0.0025671800000000, -0.0036963900000000 ] - [ -0.0005657600000000, 0.0000255000000000, 0.0000210800000000 ] - [ 0.0000373500000000, -0.0000503100000000, -0.0004180200000000 ] - [ -0.0006759000000000, 0.0002020100000000, 0.0000529400000000 ] - [ -0.0008026100000000, 0.0035806300000000, -0.0028028200000000 ] - [ 0.0026460800000000, -0.0016412900000000, -0.0027255700000000 ] - [ 0.0125041500000000, 0.0094515200000000, -0.0057282400000000 ] - [ -0.0002424700000000, -0.0005253300000000, -0.0006882000000000 ] - [ -0.0004173100000000, -0.0003800400000000, -0.0002859800000000 ] - [ 0.0002289300000000, 0.0004545500000000, 0.0007746700000000 ] - [ 0.0083999400000000, -0.0038629000000000, 0.0032119700000000 ] - [ -0.0000785700000000, -0.0004477200000000, 0.0003253100000000 ] - [ 0.0000980500000000, -0.0005812400000000, -0.0004096000000000 ] - [ 0.0012240000000000, -0.0012291700000000, 0.0016277500000000 ] - [ 0.0006626500000000, 0.0000953100000000, 0.0000640500000000 ] - [ 0.0007174900000000, -0.0000339200000000, -0.0000811600000000 ] - [ -0.0115219100000000, -0.0036437000000000, 0.0039392900000000 ] - [ 0.0000977100000000, -0.0001978500000000, -0.0000700600000000 ] - [ 0.0010310400000000, -0.0003221000000000, 0.0001018700000000 ] - [ -0.0015727900000000, -0.0016334000000000, -0.0021285400000000 ] - [ -0.0010263200000000, -0.0000305500000000, 0.0011413400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1238677000000000, -0.1165486300000000, 0.0435773400000000 ] - [ 0.0000551000000000, -0.0000151200000000, 0.0000198500000000 ] - [ -0.0001382300000000, 0.0000919200000000, -0.0000128700000000 ] - [ -0.0003354900000000, 0.0002331000000000, -0.0000737100000000 ] - [ 0.0005459400000000, 0.0000438700000000, 0.0004839600000000 ] - [ -0.0002379200000000, 0.0003088600000000, 0.0000866500000000 ] - [ -0.0009529200000000, 0.0008353300000000, 0.0006683300000000 ] - [ 0.0006235300000000, 0.0006681000000000, -0.0008658900000000 ] - [ -0.0004079700000000, -0.0004161600000000, -0.0003071700000000 ] - [ -0.0007324700000000, -0.0003864900000000, 0.0000427000000000 ] - [ -0.0001933400000000, 0.0000733100000000, -0.0003664600000000 ] - [ 0.0002314900000000, -0.0005828700000000, -0.0003619100000000 ] - [ 0.0002079900000000, 0.0001928800000000, -0.0001658900000000 ] - [ 0.0002202300000000, -0.0001123400000000, 0.0000242700000000 ] - [ -0.0004125500000000, 0.0001846900000000, -0.0000071700000000 ] - [ 0.0003746500000000, -0.0009770700000000, -0.0007717500000000 ] - [ 0.0000016200000000, 0.0000460100000000, -0.0001350900000000 ] - [ -0.0000537000000000, -0.0001351800000000, -0.0000427000000000 ] - [ -0.0003781900000000, 0.0005264100000000, 0.0009760100000000 ] - [ 0.0000546700000000, -0.0000673900000000, 0.0001834500000000 ] - [ 0.0001181700000000, -0.0000265000000000, 0.0000580600000000 ] - [ 0.0000313400000000, -0.0000342100000000, 0.0000024100000000 ] - [ -0.0003237200000000, -0.0007000900000000, 0.0005794200000000 ] - [ 0.0000286200000000, 0.0002767400000000, -0.0000963700000000 ] - [ -0.0003159700000000, 0.0003828000000000, 0.0001948000000000 ] - [ -0.0000676800000000, 0.0000912500000000, 0.0001890000000000 ] - [ 0.0001428300000000, -0.0001258200000000, 0.0001450600000000 ] - [ -0.0003568100000000, -0.0000918000000000, 0.0003308300000000 ] - [ -0.0001274900000000, 0.0001987200000000, 0.0005833000000000 ] - [ -0.0000687800000000, 0.0004444500000000, -0.0000497600000000 ] - [ -0.0009990400000000, -0.0002639600000000, 0.0011499600000000 ] - [ 0.0001560400000000, 0.0000779100000000, -0.0001218300000000 ] - [ -0.0000045000000000, -0.0001726500000000, 0.0000178000000000 ] - [ -0.0001148000000000, -0.0000265500000000, 0.0000562800000000 ] - [ -0.0001243600000000, 0.0001865500000000, -0.0002780200000000 ] - [ -0.0002193200000000, 0.0001515400000000, -0.0001222700000000 ] - [ 0.0000361400000000, 0.0002096200000000, 0.0000676200000000 ] - [ 0.0000517100000000, -0.0001162700000000, -0.0002383400000000 ] - [ 0.0000109900000000, 0.0001076700000000, 0.0001470000000000 ] - [ 0.0136665700000000, -0.0150409400000000, 0.0043711900000000 ] - [ 0.0001506700000000, -0.0002771300000000, 0.0000090200000000 ] - [ -0.0000646300000000, -0.0000635700000000, 0.0000653500000000 ] - [ -0.0003038100000000, 0.0000814300000000, 0.0000980800000000 ] - [ -0.0010421400000000, -0.0005098300000000, -0.0007457600000000 ] - [ -0.0004377700000000, -0.0005714200000000, -0.0010058800000000 ] - [ -0.0016634500000000, -0.0010444100000000, -0.0021253000000000 ] - [ -0.0002247900000000, 0.0000322700000000, -0.0000496900000000 ] - [ 0.0001275600000000, 0.0005597400000000, -0.0001707000000000 ] - [ 0.0003457000000000, -0.0000520300000000, -0.0000777400000000 ] - [ 0.0000678900000000, 0.0004852900000000, -0.0000970100000000 ] - [ -0.0003859300000000, 0.0000931100000000, 0.0005540300000000 ] - [ 0.0016600700000000, 0.0027466300000000, -0.0009390600000000 ] - [ -0.0000640500000000, -0.0008444000000000, 0.0004616300000000 ] - [ 0.0004784900000000, -0.0003009300000000, -0.0006527100000000 ] - [ 0.0009897400000000, -0.0003718500000000, -0.0004430800000000 ] - [ -0.0000402800000000, -0.0004075800000000, -0.0001850900000000 ] - [ -0.0000766700000000, -0.0000238400000000, -0.0002965400000000 ] - [ -0.0001274900000000, -0.0004826000000000, 0.0001915600000000 ] - [ -0.0003759300000000, -0.0005489500000000, 0.0000755900000000 ] - [ 0.0010054600000000, -0.0002218100000000, -0.0011348600000000 ] - [ -0.0001007500000000, -0.0004626900000000, 0.0000215600000000 ] - [ -0.0002107100000000, -0.0004835000000000, 0.0009974300000000 ] - [ -0.0000494200000000, -0.0004059600000000, -0.0003178100000000 ] - [ -0.1236349000000000, 0.1353125100000000, -0.0535226200000000 ] - [ -0.0005831900000000, 0.0000541800000000, -0.0000146700000000 ] - [ 0.0001611500000000, 0.0002127700000000, -0.0001491500000000 ] - [ -0.0002760800000000, -0.0000308000000000, -0.0005141500000000 ] - [ 0.0009712900000000, 0.0003443400000000, 0.0003269600000000 ] - [ 0.0001537500000000, 0.0003809700000000, 0.0010745000000000 ] - [ 0.0005623800000000, 0.0013241300000000, 0.0011336100000000 ] - [ 0.0002570500000000, 0.0004131800000000, -0.0004161300000000 ] - [ -0.0002914800000000, -0.0001112600000000, 0.0005708700000000 ] - [ 0.0000597200000000, -0.0007281000000000, 0.0000306300000000 ] - [ -0.0003107200000000, -0.0001337300000000, -0.0004726500000000 ] - [ -0.0002994900000000, 0.0000588600000000, 0.0008018000000000 ] - [ 0.0008684000000000, -0.0002082100000000, 0.0001519700000000 ] - [ -0.0008009300000000, -0.0002723700000000, -0.0003441900000000 ] - [ -0.0006162600000000, -0.0009265600000000, -0.0008677100000000 ] - [ 0.0008483200000000, 0.0004339900000000, -0.0005866600000000 ] - [ -0.0000436500000000, -0.0003601700000000, 0.0000832900000000 ] - [ -0.0001768700000000, 0.0000175200000000, -0.0000496300000000 ] - [ 0.0001026100000000, -0.0000475400000000, -0.0002824900000000 ] - [ 0.0001740900000000, 0.0003915600000000, 0.0008712700000000 ] - [ 0.0002761800000000, -0.0001636300000000, -0.0002591300000000 ] - [ 0.0002107000000000, -0.0001585000000000, -0.0001991400000000 ] - [ 0.0003628000000000, -0.0000429200000000, 0.0001605200000000 ] - [ -0.0000286000000000, -0.0000121400000000, -0.0002815800000000 ] - [ -0.0025577800000000, -0.0024908900000000, 0.0038455900000000 ] - [ 0.0003989300000000, 0.0005903200000000, 0.0000480100000000 ] - [ 0.0005733300000000, 0.0001174700000000, 0.0002496900000000 ] - [ 0.0005060200000000, -0.0008206600000000, -0.0001145600000000 ] - [ 0.0009772400000000, -0.0029831400000000, 0.0027373100000000 ] - [ -0.0020486800000000, 0.0015892600000000, 0.0029163000000000 ] - [ -0.0128065500000000, -0.0094259300000000, 0.0064469600000000 ] - [ 0.0008510900000000, 0.0000904700000000, 0.0010055000000000 ] - [ 0.0007281400000000, -0.0002129100000000, -0.0001676300000000 ] - [ -0.0002280100000000, -0.0004612400000000, -0.0007787900000000 ] - [ -0.0083016200000000, 0.0037674000000000, -0.0031286100000000 ] - [ 0.0000772900000000, 0.0004546300000000, -0.0003291600000000 ] - [ -0.0000964600000000, 0.0005890400000000, 0.0004126300000000 ] - [ -0.0013469500000000, 0.0011007600000000, -0.0015106500000000 ] - [ -0.0005297500000000, -0.0002308300000000, -0.0001936000000000 ] - [ -0.0008534400000000, 0.0001602200000000, -0.0000487300000000 ] - [ 0.0117233200000000, 0.0037806300000000, -0.0038033700000000 ] - [ -0.0002369400000000, 0.0000658200000000, -0.0000669800000000 ] - [ -0.0008966800000000, 0.0004543100000000, -0.0002391000000000 ] - [ 0.0014544200000000, 0.0018176600000000, 0.0023205700000000 ] - [ 0.0011490000000000, -0.0001181400000000, -0.0010180300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1141450200000000, -0.2205604100000000, 0.0922647300000000 ] - [ 0.0001256700000000, 0.0002220200000000, -0.0000334800000000 ] - [ -0.0000510300000000, 0.0003523500000000, 0.0000772700000000 ] - [ -0.0005396600000000, 0.0005116000000000, -0.0002261700000000 ] - [ 0.0006635700000000, 0.0005927100000000, 0.0000276700000000 ] - [ -0.0005654900000000, 0.0005536600000000, 0.0007211500000000 ] - [ -0.0015962300000000, 0.0014616300000000, 0.0010110700000000 ] - [ 0.0011622100000000, 0.0010995100000000, -0.0015970000000000 ] - [ -0.0007199300000000, -0.0005542300000000, -0.0002270700000000 ] - [ -0.0000278200000000, -0.0002223600000000, 0.0003462800000000 ] - [ -0.0002823200000000, 0.0001944500000000, -0.0005405100000000 ] - [ 0.0004429500000000, -0.0010314200000000, -0.0005698600000000 ] - [ 0.0003339900000000, 0.0005332500000000, -0.0001308500000000 ] - [ 0.0002520500000000, 0.0001072600000000, -0.0000848700000000 ] - [ -0.0005207900000000, 0.0000885500000000, 0.0001982900000000 ] - [ 0.0003751000000000, 0.0002276800000000, 0.0009523600000000 ] - [ -0.0000739400000000, 0.0001773500000000, -0.0000999600000000 ] - [ -0.0000546600000000, -0.0001432400000000, -0.0000755800000000 ] - [ -0.0009494800000000, -0.0003100100000000, 0.0009317900000000 ] - [ -0.0001949400000000, -0.0004435300000000, 0.0001331600000000 ] - [ 0.0002549600000000, -0.0000792000000000, 0.0002485800000000 ] - [ 0.0001748300000000, -0.0003623700000000, -0.0001526100000000 ] - [ -0.0000824400000000, -0.0011733900000000, 0.0004051700000000 ] - [ -0.0001428900000000, 0.0005627600000000, -0.0001934700000000 ] - [ -0.0006074000000000, 0.0010505900000000, 0.0005190900000000 ] - [ -0.0003891000000000, 0.0002815400000000, 0.0003782700000000 ] - [ 0.0000387900000000, 0.0002551100000000, 0.0002941900000000 ] - [ -0.0002732800000000, -0.0003749900000000, 0.0005619500000000 ] - [ -0.0003641400000000, 0.0000406900000000, 0.0006964900000000 ] - [ -0.0003345600000000, 0.0008603700000000, 0.0002315400000000 ] - [ 0.0002145200000000, 0.0003788700000000, -0.0005564600000000 ] - [ 0.0002102500000000, 0.0001109500000000, -0.0001257300000000 ] - [ -0.0000735400000000, -0.0002582400000000, -0.0000768900000000 ] - [ -0.0000828000000000, -0.0001761100000000, -0.0001105500000000 ] - [ -0.0004023200000000, -0.0001856800000000, -0.0007331900000000 ] - [ -0.0003362800000000, 0.0005375700000000, -0.0002803100000000 ] - [ 0.0000022500000000, 0.0004313500000000, 0.0001486400000000 ] - [ 0.0002135600000000, -0.0002604100000000, -0.0003438300000000 ] - [ -0.0000625100000000, 0.0003115200000000, 0.0001018800000000 ] - [ -0.0038197600000000, 0.0116819800000000, -0.0063237700000000 ] - [ 0.0007039500000000, -0.0001036800000000, 0.0001434800000000 ] - [ -0.0000910300000000, 0.0000009900000000, 0.0000598500000000 ] - [ -0.0002261200000000, 0.0009709700000000, -0.0004256400000000 ] - [ -0.0016607400000000, -0.0008705300000000, -0.0012941600000000 ] - [ -0.0008889100000000, -0.0012747500000000, -0.0016862100000000 ] - [ -0.0016689800000000, -0.0051235400000000, -0.0011267900000000 ] - [ -0.0001778400000000, -0.0002574600000000, 0.0000397600000000 ] - [ 0.0004163900000000, 0.0013081300000000, -0.0005115200000000 ] - [ 0.0004991200000000, 0.0003291900000000, 0.0000134700000000 ] - [ -0.0000490000000000, 0.0007949200000000, -0.0000443300000000 ] - [ -0.0005248400000000, 0.0002034100000000, 0.0004517800000000 ] - [ -0.0014020300000000, 0.0010778200000000, -0.0005790400000000 ] - [ 0.0001105100000000, -0.0014565100000000, 0.0004148500000000 ] - [ 0.0007161900000000, -0.0003090500000000, -0.0009026700000000 ] - [ 0.0014168000000000, -0.0010689000000000, -0.0006674200000000 ] - [ 0.0000804400000000, -0.0014630200000000, -0.0003266400000000 ] - [ 0.0000804900000000, -0.0002828500000000, -0.0003831400000000 ] - [ -0.0002220500000000, -0.0013196700000000, 0.0002542800000000 ] - [ -0.0002599700000000, -0.0009951900000000, 0.0000840300000000 ] - [ 0.0010378700000000, 0.0013593000000000, -0.0012774900000000 ] - [ 0.0000114400000000, -0.0008564700000000, 0.0001343400000000 ] - [ -0.0005998800000000, -0.0008022300000000, 0.0015049400000000 ] - [ -0.0000442300000000, -0.0007873300000000, -0.0002896300000000 ] - [ -0.1147729600000000, 0.2131159100000000, -0.0979086600000000 ] - [ -0.0010410800000000, -0.0008947800000000, 0.0002095500000000 ] - [ 0.0001151400000000, -0.0000764800000000, -0.0001145500000000 ] - [ 0.0020166500000000, -0.0018012700000000, -0.0000015600000000 ] - [ 0.0013519900000000, 0.0007797700000000, 0.0007269400000000 ] - [ 0.0004109700000000, 0.0011723600000000, 0.0014578900000000 ] - [ 0.0003497600000000, 0.0032745200000000, 0.0002571000000000 ] - [ 0.0002469600000000, 0.0007947200000000, -0.0002582200000000 ] - [ 0.0000079200000000, -0.0003321500000000, 0.0004737900000000 ] - [ 0.0006011100000000, -0.0017927800000000, 0.0000783200000000 ] - [ 0.0003117400000000, -0.0004091300000000, -0.0010406500000000 ] - [ 0.0003161000000000, -0.0000047400000000, -0.0005843600000000 ] - [ 0.0008644100000000, 0.0001317100000000, -0.0001791000000000 ] - [ 0.0001451200000000, 0.0003432900000000, -0.0005896800000000 ] - [ -0.0004445900000000, -0.0017627100000000, -0.0017633100000000 ] - [ -0.0001823800000000, 0.0001696700000000, 0.0002049000000000 ] - [ 0.0001341800000000, -0.0004808500000000, 0.0002080400000000 ] - [ -0.0001473200000000, 0.0000675400000000, 0.0001106500000000 ] - [ 0.0000377400000000, 0.0000107600000000, -0.0001708100000000 ] - [ 0.0003738900000000, 0.0007607400000000, 0.0012111500000000 ] - [ 0.0004336300000000, -0.0005866000000000, -0.0004383400000000 ] - [ 0.0000431500000000, -0.0002440100000000, -0.0003450900000000 ] - [ 0.0004574600000000, 0.0001829800000000, 0.0002075100000000 ] - [ 0.0001289400000000, -0.0002108300000000, -0.0005732800000000 ] - [ -0.0010614200000000, -0.0029430500000000, 0.0034492700000000 ] - [ -0.0001415200000000, 0.0004314400000000, -0.0002872900000000 ] - [ 0.0006232100000000, 0.0001212100000000, 0.0002885200000000 ] - [ 0.0005147100000000, -0.0012069500000000, 0.0000823000000000 ] - [ 0.0021842600000000, -0.0042614300000000, 0.0042665900000000 ] - [ -0.0028276100000000, 0.0014356900000000, 0.0048807200000000 ] - [ -0.0013047600000000, -0.0127896300000000, 0.0144434600000000 ] - [ 0.0016280800000000, 0.0016050800000000, 0.0016782400000000 ] - [ 0.0006183700000000, 0.0004739900000000, -0.0004885700000000 ] - [ -0.0002490400000000, -0.0012224500000000, -0.0004289000000000 ] - [ -0.0055326200000000, -0.0049606800000000, 0.0003027300000000 ] - [ 0.0001060300000000, 0.0010775000000000, -0.0005510700000000 ] - [ -0.0003194100000000, 0.0015733400000000, 0.0006186000000000 ] - [ -0.0016614600000000, 0.0014923600000000, -0.0020950200000000 ] - [ -0.0004176600000000, -0.0005808400000000, 0.0000181700000000 ] - [ -0.0006491500000000, 0.0003078500000000, 0.0005003800000000 ] - [ 0.0140549000000000, 0.0161587300000000, -0.0131650100000000 ] - [ -0.0005540000000000, 0.0003164900000000, -0.0005466000000000 ] - [ -0.0005470100000000, -0.0000011000000000, -0.0005156700000000 ] - [ 0.0002171200000000, 0.0059942400000000, 0.0047076400000000 ] - [ 0.0002405300000000, -0.0007926700000000, 0.0003098000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1244314100000000, 0.2318661000000000, -0.1004035700000000 ] - [ 0.0001143400000000, -0.0002636900000000, 0.0000165500000000 ] - [ -0.0001893300000000, -0.0003044000000000, -0.0000943800000000 ] - [ 0.0004857900000000, -0.0005201700000000, 0.0004602000000000 ] - [ -0.0006687100000000, -0.0008250900000000, 0.0000284900000000 ] - [ 0.0005355800000000, -0.0003024200000000, -0.0007495100000000 ] - [ 0.0016140200000000, -0.0014209000000000, -0.0007557500000000 ] - [ -0.0011252700000000, -0.0008426100000000, 0.0016132400000000 ] - [ 0.0007502400000000, 0.0005248200000000, -0.0000185500000000 ] - [ -0.0000286900000000, 0.0002330400000000, -0.0005773300000000 ] - [ 0.0002938900000000, -0.0004290200000000, 0.0004852000000000 ] - [ -0.0006737400000000, 0.0009705100000000, 0.0005754900000000 ] - [ -0.0000928900000000, -0.0005730800000000, 0.0001426100000000 ] - [ -0.0002031500000000, -0.0000900300000000, -0.0001538200000000 ] - [ 0.0005289900000000, 0.0001514900000000, -0.0002375100000000 ] - [ -0.0003515200000000, -0.0004726700000000, -0.0008988800000000 ] - [ 0.0000294200000000, -0.0001922400000000, -0.0001407500000000 ] - [ 0.0000374200000000, -0.0000965100000000, 0.0000281300000000 ] - [ 0.0009014700000000, 0.0003314100000000, -0.0006706300000000 ] - [ 0.0002407100000000, 0.0004224800000000, 0.0001046800000000 ] - [ -0.0002714100000000, 0.0003181900000000, -0.0002061900000000 ] - [ 0.0000655100000000, 0.0004015000000000, 0.0001334000000000 ] - [ 0.0002207600000000, 0.0008878500000000, -0.0002857500000000 ] - [ 0.0002859000000000, -0.0002905400000000, 0.0000810200000000 ] - [ 0.0004559000000000, -0.0013028600000000, -0.0006233200000000 ] - [ 0.0006545400000000, -0.0003907400000000, -0.0002327800000000 ] - [ -0.0001454600000000, -0.0003980300000000, -0.0005507300000000 ] - [ 0.0001570100000000, 0.0005122200000000, -0.0002858900000000 ] - [ 0.0000979100000000, 0.0000660500000000, -0.0005383200000000 ] - [ 0.0004441300000000, -0.0007077800000000, -0.0005000700000000 ] - [ -0.0004870100000000, -0.0004837100000000, 0.0004153200000000 ] - [ 0.0000574000000000, 0.0000002700000000, -0.0000209700000000 ] - [ 0.0001824100000000, 0.0001099700000000, 0.0003400500000000 ] - [ -0.0000617600000000, 0.0004397900000000, 0.0002198000000000 ] - [ 0.0002549800000000, 0.0004523500000000, 0.0006118100000000 ] - [ 0.0001864800000000, -0.0007955000000000, 0.0003858200000000 ] - [ 0.0001406600000000, -0.0001588900000000, -0.0000359400000000 ] - [ -0.0004759300000000, 0.0003662800000000, 0.0001942400000000 ] - [ 0.0001716600000000, -0.0001637700000000, 0.0001668600000000 ] - [ 0.0042296100000000, -0.0119204100000000, 0.0061761000000000 ] - [ -0.0004342600000000, -0.0000097100000000, -0.0002851200000000 ] - [ -0.0000207400000000, -0.0001449100000000, 0.0002060200000000 ] - [ 0.0004842800000000, -0.0008409800000000, 0.0005570600000000 ] - [ 0.0013675000000000, 0.0007472400000000, 0.0014139100000000 ] - [ 0.0007651100000000, 0.0013986800000000, 0.0013912200000000 ] - [ 0.0017867700000000, 0.0047764300000000, 0.0009997600000000 ] - [ -0.0000645200000000, 0.0002102100000000, -0.0000567200000000 ] - [ -0.0006496100000000, -0.0012467800000000, 0.0005235400000000 ] - [ 0.0000990000000000, -0.0007706700000000, -0.0003212900000000 ] - [ -0.0002586200000000, -0.0001885500000000, -0.0003982500000000 ] - [ 0.0000743200000000, -0.0005088800000000, 0.0001553200000000 ] - [ 0.0018509500000000, -0.0007222100000000, 0.0011548800000000 ] - [ -0.0004191900000000, 0.0008446600000000, 0.0000429500000000 ] - [ -0.0002623900000000, -0.0000018000000000, 0.0002910400000000 ] - [ -0.0007987100000000, 0.0014978700000000, 0.0003453200000000 ] - [ 0.0002291400000000, 0.0020365700000000, 0.0007605400000000 ] - [ -0.0005280800000000, 0.0005891900000000, -0.0002129200000000 ] - [ 0.0008091500000000, 0.0017452400000000, 0.0000623900000000 ] - [ -0.0003394500000000, 0.0005368800000000, 0.0002262600000000 ] - [ -0.0016088200000000, -0.0009028600000000, 0.0009363900000000 ] - [ -0.0006041800000000, 0.0003982100000000, -0.0004411200000000 ] - [ 0.0010353400000000, 0.0004813500000000, -0.0008836700000000 ] - [ -0.0002640000000000, 0.0001833500000000, -0.0001612800000000 ] - [ 0.1244762300000000, -0.2235276700000000, 0.1060306500000000 ] - [ 0.0005860200000000, 0.0011991500000000, 0.0003795200000000 ] - [ 0.0001966600000000, 0.0006705100000000, -0.0003307700000000 ] - [ -0.0024173800000000, 0.0014622100000000, -0.0005861300000000 ] - [ -0.0008844200000000, -0.0004605900000000, -0.0013045700000000 ] - [ -0.0000978100000000, -0.0017487900000000, -0.0009842700000000 ] - [ -0.0009244800000000, -0.0027781900000000, 0.0000713900000000 ] - [ -0.0003070900000000, -0.0006132000000000, -0.0003524400000000 ] - [ -0.0000752500000000, 0.0001682500000000, 0.0001455400000000 ] - [ -0.0005396500000000, 0.0019390400000000, 0.0005199300000000 ] - [ -0.0004861000000000, 0.0010155300000000, 0.0009630100000000 ] - [ 0.0002911100000000, 0.0000760100000000, 0.0007470000000000 ] - [ -0.0002369500000000, -0.0002026700000000, 0.0000132400000000 ] - [ 0.0000230600000000, -0.0009338500000000, 0.0005281800000000 ] - [ -0.0001745700000000, 0.0016769500000000, 0.0019128800000000 ] - [ 0.0003602300000000, 0.0004348400000000, -0.0001485900000000 ] - [ -0.0003006200000000, -0.0001289300000000, -0.0001401400000000 ] - [ -0.0004608700000000, 0.0000012500000000, -0.0002737400000000 ] - [ 0.0000310700000000, -0.0001788000000000, -0.0004383400000000 ] - [ -0.0003037000000000, -0.0009155900000000, -0.0005843100000000 ] - [ -0.0003605600000000, 0.0007473800000000, -0.0001713800000000 ] - [ -0.0001060600000000, 0.0000715200000000, -0.0002639200000000 ] - [ -0.0002808000000000, -0.0007840200000000, -0.0001384600000000 ] - [ -0.0007288400000000, 0.0001429600000000, 0.0003922600000000 ] - [ 0.0004159700000000, 0.0029609800000000, -0.0032145000000000 ] - [ -0.0000183800000000, 0.0001855900000000, 0.0003524000000000 ] - [ -0.0000068900000000, -0.0000523000000000, -0.0004480800000000 ] - [ -0.0006733700000000, 0.0005772100000000, -0.0001448300000000 ] - [ -0.0019941700000000, 0.0048062400000000, -0.0042766500000000 ] - [ 0.0033740700000000, -0.0014714000000000, -0.0046301900000000 ] - [ 0.0014078600000000, 0.0125893900000000, -0.0133435200000000 ] - [ -0.0010124700000000, -0.0020334100000000, -0.0013436600000000 ] - [ -0.0002954500000000, -0.0010613200000000, 0.0000370000000000 ] - [ 0.0002430700000000, 0.0012048800000000, 0.0004086800000000 ] - [ 0.0053194100000000, 0.0049212100000000, -0.0003459700000000 ] - [ -0.0001033500000000, -0.0010625100000000, 0.0005385500000000 ] - [ 0.0003133200000000, -0.0015543000000000, -0.0006038000000000 ] - [ 0.0015055100000000, -0.0016008000000000, 0.0021812900000000 ] - [ 0.0005402600000000, 0.0004385800000000, -0.0001520600000000 ] - [ 0.0004984500000000, -0.0001738600000000, -0.0006250700000000 ] - [ -0.0136252900000000, -0.0157170800000000, 0.0130532300000000 ] - [ 0.0004103900000000, -0.0004426700000000, 0.0004029600000000 ] - [ 0.0006625500000000, 0.0001366900000000, 0.0003749900000000 ] - [ -0.0003081500000000, -0.0058345500000000, -0.0045143200000000 ] - [ -0.0001120000000000, 0.0006322800000000, -0.0001975500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0450005600000000, 0.0972158100000000, -0.0746098700000000 ] - [ 0.0001486800000000, -0.0000461600000000, -0.0000557400000000 ] - [ -0.0001158100000000, -0.0000624800000000, 0.0000133300000000 ] - [ 0.0002636300000000, -0.0002162900000000, 0.0003200900000000 ] - [ -0.0004636700000000, -0.0005106700000000, -0.0002067300000000 ] - [ 0.0005506200000000, -0.0002836200000000, -0.0005566900000000 ] - [ 0.0011616500000000, -0.0010068200000000, -0.0004906000000000 ] - [ -0.0010068800000000, -0.0006992700000000, 0.0014582000000000 ] - [ 0.0005711700000000, 0.0005534000000000, 0.0001048500000000 ] - [ 0.0006421400000000, 0.0004643200000000, -0.0006688500000000 ] - [ 0.0002174100000000, -0.0003591200000000, 0.0004920600000000 ] - [ -0.0004870600000000, 0.0005458400000000, 0.0005176800000000 ] - [ 0.0002954600000000, 0.0001175900000000, 0.0004879800000000 ] - [ -0.0002402400000000, 0.0000556200000000, -0.0002449000000000 ] - [ 0.0002109500000000, 0.0000602300000000, -0.0004554000000000 ] - [ 0.0006472700000000, 0.0004041300000000, -0.0003027900000000 ] - [ -0.0000692000000000, -0.0000434000000000, -0.0000749500000000 ] - [ -0.0000442700000000, -0.0001741600000000, 0.0001617600000000 ] - [ -0.0003833900000000, 0.0006437500000000, -0.0002502200000000 ] - [ -0.0005060700000000, -0.0002164000000000, 0.0005420400000000 ] - [ -0.0000550600000000, 0.0002418900000000, 0.0001212500000000 ] - [ 0.0001322400000000, 0.0001643700000000, 0.0000819700000000 ] - [ -0.0000268000000000, 0.0002453700000000, -0.0000292200000000 ] - [ -0.0000402000000000, 0.0002475400000000, -0.0001381900000000 ] - [ 0.0002256700000000, -0.0007206300000000, -0.0003406000000000 ] - [ 0.0000714500000000, -0.0000431200000000, 0.0001683300000000 ] - [ -0.0003710800000000, 0.0002674000000000, -0.0007969800000000 ] - [ 0.0001152700000000, 0.0003230500000000, -0.0002485600000000 ] - [ -0.0007284500000000, 0.0005706700000000, -0.0005347300000000 ] - [ 0.0000971700000000, -0.0001930400000000, -0.0000501600000000 ] - [ 0.0001591700000000, -0.0000169400000000, -0.0005642500000000 ] - [ 0.0002020300000000, 0.0000925300000000, 0.0000519600000000 ] - [ 0.0001422000000000, 0.0000784200000000, 0.0003814700000000 ] - [ -0.0001437600000000, 0.0001542500000000, 0.0000862700000000 ] - [ -0.0000863200000000, -0.0000916400000000, 0.0002739300000000 ] - [ 0.0000920000000000, -0.0004620200000000, 0.0002541800000000 ] - [ 0.0001359100000000, 0.0000486800000000, 0.0000504600000000 ] - [ -0.0003526900000000, 0.0002860100000000, 0.0001684200000000 ] - [ 0.0000861400000000, 0.0000183400000000, 0.0000255200000000 ] - [ 0.0134531300000000, -0.0219237000000000, 0.0108390500000000 ] - [ -0.0000571200000000, 0.0000489900000000, -0.0002828100000000 ] - [ -0.0000844700000000, -0.0000455900000000, 0.0002971800000000 ] - [ 0.0003300400000000, -0.0004563800000000, 0.0005650300000000 ] - [ 0.0009335400000000, 0.0004951100000000, 0.0010689300000000 ] - [ 0.0006146300000000, 0.0009242000000000, 0.0013339100000000 ] - [ 0.0029941000000000, 0.0013544500000000, 0.0017923300000000 ] - [ -0.0000784600000000, 0.0000250700000000, -0.0000310200000000 ] - [ -0.0002959200000000, -0.0004911200000000, 0.0001432500000000 ] - [ 0.0005683500000000, -0.0001787300000000, -0.0006046500000000 ] - [ -0.0003409500000000, 0.0000302900000000, -0.0005372300000000 ] - [ -0.0001629500000000, -0.0004202000000000, -0.0001070100000000 ] - [ -0.0003271200000000, -0.0011393400000000, 0.0023083800000000 ] - [ -0.0003929300000000, -0.0000373000000000, -0.0003227200000000 ] - [ 0.0003204300000000, -0.0003354000000000, 0.0004449400000000 ] - [ -0.0004771800000000, 0.0009568500000000, 0.0002796300000000 ] - [ 0.0002952600000000, 0.0010346300000000, 0.0011128200000000 ] - [ -0.0001637100000000, 0.0002533500000000, -0.0005356000000000 ] - [ 0.0008111300000000, 0.0011345500000000, 0.0000335800000000 ] - [ -0.0001579200000000, -0.0001041800000000, 0.0003156600000000 ] - [ -0.0005357400000000, -0.0005033200000000, 0.0007714000000000 ] - [ -0.0004868200000000, 0.0000217400000000, -0.0004134700000000 ] - [ 0.0007335500000000, 0.0002538900000000, -0.0009500900000000 ] - [ -0.0002224500000000, -0.0001808700000000, -0.0000333900000000 ] - [ 0.0330636800000000, -0.0814020200000000, 0.0642424700000000 ] - [ 0.0001122900000000, 0.0004669500000000, 0.0006737600000000 ] - [ 0.0001909000000000, 0.0003876200000000, -0.0004163900000000 ] - [ -0.0017937000000000, 0.0008215400000000, -0.0008756300000000 ] - [ -0.0006272500000000, -0.0001045900000000, -0.0012176000000000 ] - [ -0.0000163100000000, -0.0010090600000000, -0.0012326600000000 ] - [ -0.0017053000000000, -0.0013122800000000, -0.0006300700000000 ] - [ -0.0000532300000000, -0.0000891800000000, -0.0002695100000000 ] - [ 0.0002230300000000, -0.0012555200000000, -0.0007280500000000 ] - [ 0.0003215000000000, 0.0008197200000000, 0.0011387700000000 ] - [ -0.0002396200000000, -0.0005201400000000, 0.0005863100000000 ] - [ 0.0001136300000000, -0.0006102300000000, 0.0002912200000000 ] - [ -0.0000697700000000, -0.0000570100000000, 0.0001358600000000 ] - [ -0.0003204400000000, -0.0019442800000000, -0.0021875200000000 ] - [ -0.0001661900000000, 0.0005898400000000, 0.0009102700000000 ] - [ -0.0001887600000000, 0.0002599100000000, 0.0003598700000000 ] - [ -0.0002629900000000, -0.0002516000000000, -0.0001715100000000 ] - [ -0.0003674200000000, -0.0000100700000000, -0.0003620800000000 ] - [ 0.0000753000000000, 0.0000018400000000, -0.0003958100000000 ] - [ -0.0000678800000000, -0.0004516000000000, -0.0002684200000000 ] - [ -0.0002106600000000, 0.0003320000000000, -0.0002740000000000 ] - [ -0.0001676300000000, -0.0000497400000000, -0.0003414700000000 ] - [ -0.0001624100000000, -0.0006337400000000, -0.0001701600000000 ] - [ -0.0006688400000000, -0.0000879600000000, 0.0004098700000000 ] - [ -0.0010807400000000, 0.0010436200000000, -0.0009912100000000 ] - [ -0.0004427900000000, -0.0000135300000000, 0.0002263900000000 ] - [ 0.0001086000000000, -0.0000769900000000, -0.0005023500000000 ] - [ -0.0003008700000000, 0.0000391900000000, -0.0002721300000000 ] - [ -0.0014528800000000, 0.0030269400000000, -0.0033183000000000 ] - [ 0.0018017100000000, -0.0002959600000000, -0.0034715900000000 ] - [ 0.0009917500000000, 0.0133018100000000, -0.0032831700000000 ] - [ -0.0005306400000000, -0.0005991300000000, -0.0007482100000000 ] - [ -0.0002304500000000, -0.0006148400000000, 0.0000307300000000 ] - [ 0.0003464600000000, 0.0004487800000000, 0.0012376100000000 ] - [ 0.0062270800000000, 0.0009697900000000, -0.0002834700000000 ] - [ -0.0000597900000000, -0.0004588900000000, 0.0005959400000000 ] - [ 0.0001592800000000, -0.0005102700000000, -0.0007038500000000 ] - [ 0.0006873400000000, -0.0004203800000000, 0.0012346300000000 ] - [ 0.0003369700000000, 0.0002501500000000, 0.0000445100000000 ] - [ 0.0004620300000000, 0.0002802400000000, -0.0003048300000000 ] - [ -0.0086461600000000, -0.0111325800000000, 0.0091319700000000 ] - [ 0.0002330200000000, -0.0002935200000000, 0.0003426200000000 ] - [ 0.0005891200000000, -0.0001830000000000, -0.0000212800000000 ] - [ -0.0011404300000000, 0.0005929300000000, -0.0038100100000000 ] - [ 0.0016123400000000, 0.0023847800000000, 0.0030280100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0443363700000000, -0.0952635100000000, 0.0761330500000000 ] - [ 0.0000922100000000, 0.0000048000000000, 0.0000375100000000 ] - [ -0.0001247700000000, 0.0001083600000000, -0.0000303200000000 ] - [ -0.0003118100000000, 0.0002037000000000, -0.0000823900000000 ] - [ 0.0004522300000000, 0.0002757000000000, 0.0002480200000000 ] - [ -0.0005737100000000, 0.0005295500000000, 0.0005235400000000 ] - [ -0.0011263900000000, 0.0010334300000000, 0.0007348800000000 ] - [ 0.0010334700000000, 0.0009473200000000, -0.0014251200000000 ] - [ -0.0005306800000000, -0.0005709100000000, -0.0003472700000000 ] - [ -0.0006890900000000, -0.0004514100000000, 0.0004360300000000 ] - [ -0.0002023100000000, 0.0001201600000000, -0.0005387700000000 ] - [ 0.0002508900000000, -0.0005986400000000, -0.0005053100000000 ] - [ -0.0000515900000000, -0.0001548400000000, -0.0004688500000000 ] - [ 0.0002853700000000, -0.0000377200000000, 0.0000046000000000 ] - [ -0.0001984900000000, 0.0001786400000000, 0.0004116400000000 ] - [ -0.0006242000000000, -0.0006481500000000, 0.0003378100000000 ] - [ 0.0000242700000000, 0.0000275900000000, -0.0001656000000000 ] - [ 0.0000270000000000, -0.0000661800000000, -0.0002071200000000 ] - [ 0.0003438800000000, -0.0006278700000000, 0.0004961900000000 ] - [ 0.0005430400000000, 0.0001931900000000, -0.0002983000000000 ] - [ 0.0000383900000000, -0.0000022400000000, -0.0000770300000000 ] - [ 0.0001086800000000, -0.0001223800000000, -0.0000999100000000 ] - [ 0.0001692100000000, -0.0005193100000000, 0.0001436600000000 ] - [ 0.0001813900000000, 0.0000267600000000, 0.0000239700000000 ] - [ -0.0003735900000000, 0.0004587700000000, 0.0002322700000000 ] - [ 0.0001972800000000, -0.0000680700000000, -0.0000243000000000 ] - [ 0.0002596100000000, -0.0004092800000000, 0.0005284900000000 ] - [ -0.0002288600000000, -0.0001814600000000, 0.0005200000000000 ] - [ 0.0004551000000000, -0.0004575100000000, 0.0006785100000000 ] - [ 0.0000118100000000, 0.0003410500000000, -0.0002162200000000 ] - [ -0.0004306000000000, -0.0000947600000000, 0.0004287000000000 ] - [ 0.0000660200000000, 0.0000190900000000, -0.0001972400000000 ] - [ -0.0000316600000000, -0.0002246700000000, -0.0001149900000000 ] - [ -0.0000019900000000, 0.0001104000000000, 0.0000231200000000 ] - [ -0.0000581300000000, 0.0003546400000000, -0.0003904900000000 ] - [ -0.0002381100000000, 0.0001976900000000, -0.0001444200000000 ] - [ 0.0000079800000000, 0.0002226600000000, 0.0000619900000000 ] - [ 0.0000875000000000, -0.0001766700000000, -0.0003147800000000 ] - [ 0.0000244100000000, 0.0001280400000000, 0.0002428000000000 ] - [ -0.0133018100000000, 0.0211692900000000, -0.0110886200000000 ] - [ 0.0003296500000000, -0.0001607700000000, 0.0001404400000000 ] - [ -0.0000278200000000, -0.0000977500000000, -0.0000286200000000 ] - [ -0.0000677100000000, 0.0005841000000000, -0.0004308900000000 ] - [ -0.0012089900000000, -0.0006096500000000, -0.0009301900000000 ] - [ -0.0007317900000000, -0.0007860900000000, -0.0016138200000000 ] - [ -0.0028903800000000, -0.0016455800000000, -0.0019194200000000 ] - [ -0.0001634200000000, -0.0000705100000000, 0.0000128800000000 ] - [ 0.0000582700000000, 0.0005431400000000, -0.0001289800000000 ] - [ 0.0000353600000000, -0.0002639100000000, 0.0002903800000000 ] - [ 0.0000303400000000, 0.0005726100000000, 0.0000898500000000 ] - [ -0.0002868300000000, 0.0001115200000000, 0.0007092500000000 ] - [ 0.0007828700000000, 0.0014728500000000, -0.0017170700000000 ] - [ 0.0000809100000000, -0.0005705500000000, 0.0007718100000000 ] - [ 0.0001353600000000, 0.0000216600000000, -0.0010459300000000 ] - [ 0.0010832000000000, -0.0005159000000000, -0.0005964700000000 ] - [ 0.0000170000000000, -0.0004494100000000, -0.0006667700000000 ] - [ -0.0002864900000000, 0.0000572500000000, -0.0000629400000000 ] - [ -0.0002148500000000, -0.0006950700000000, 0.0002806700000000 ] - [ -0.0004396000000000, -0.0003520000000000, -0.0000010000000000 ] - [ -0.0000572300000000, 0.0009550600000000, -0.0010976500000000 ] - [ -0.0001102800000000, -0.0004764400000000, 0.0001022400000000 ] - [ -0.0002924000000000, -0.0005717800000000, 0.0015570700000000 ] - [ -0.0000887000000000, -0.0004220100000000, -0.0004154500000000 ] - [ -0.0326249400000000, 0.0808856200000000, -0.0652396700000000 ] - [ -0.0005662600000000, -0.0001619700000000, -0.0000751500000000 ] - [ 0.0001218900000000, 0.0002090400000000, -0.0000330000000000 ] - [ 0.0013808600000000, -0.0011572600000000, 0.0002825500000000 ] - [ 0.0010819900000000, 0.0004189700000000, 0.0006231200000000 ] - [ 0.0003300000000000, 0.0004205000000000, 0.0016901600000000 ] - [ 0.0011202000000000, 0.0017807200000000, 0.0009444500000000 ] - [ -0.0000130600000000, 0.0002612200000000, -0.0003428600000000 ] - [ -0.0002892300000000, 0.0010733600000000, 0.0013330400000000 ] - [ -0.0002529100000000, -0.0006629200000000, -0.0005354700000000 ] - [ 0.0000752200000000, 0.0011407700000000, -0.0006603000000000 ] - [ 0.0004893100000000, 0.0006720400000000, -0.0001153700000000 ] - [ 0.0006904300000000, -0.0000146200000000, -0.0002999900000000 ] - [ 0.0004835100000000, 0.0013141700000000, 0.0020904200000000 ] - [ -0.0004450800000000, -0.0006670300000000, -0.0007548100000000 ] - [ 0.0003661600000000, 0.0003455000000000, -0.0003028700000000 ] - [ 0.0000961100000000, -0.0003584000000000, 0.0002392700000000 ] - [ -0.0002431800000000, 0.0000797600000000, 0.0001973200000000 ] - [ -0.0000057200000000, -0.0001689500000000, -0.0002135800000000 ] - [ 0.0001370000000000, 0.0002925600000000, 0.0008873000000000 ] - [ 0.0002796900000000, -0.0001663100000000, -0.0003368900000000 ] - [ 0.0001025100000000, -0.0001220800000000, -0.0002673000000000 ] - [ 0.0003322700000000, 0.0000258300000000, 0.0002383000000000 ] - [ 0.0000629000000000, 0.0000196500000000, -0.0005849300000000 ] - [ 0.0004507700000000, -0.0009813800000000, 0.0011914100000000 ] - [ 0.0002770500000000, 0.0006283500000000, -0.0001609800000000 ] - [ 0.0005049200000000, 0.0001449100000000, 0.0003373000000000 ] - [ 0.0001349400000000, -0.0006620900000000, 0.0002096300000000 ] - [ 0.0016233900000000, -0.0024116000000000, 0.0032560400000000 ] - [ -0.0012087000000000, 0.0002248400000000, 0.0036760600000000 ] - [ -0.0009544700000000, -0.0134268900000000, 0.0039093500000000 ] - [ 0.0011270100000000, 0.0001620500000000, 0.0010736900000000 ] - [ 0.0005490400000000, 0.0000204400000000, -0.0004795100000000 ] - [ -0.0003511700000000, -0.0004565500000000, -0.0012428000000000 ] - [ -0.0062974900000000, -0.0010037600000000, 0.0002602900000000 ] - [ 0.0000616600000000, 0.0004667600000000, -0.0005995800000000 ] - [ -0.0001623400000000, 0.0005230100000000, 0.0007067700000000 ] - [ -0.0008222300000000, 0.0002957800000000, -0.0011263800000000 ] - [ -0.0002091200000000, -0.0003856200000000, -0.0001802700000000 ] - [ -0.0006014400000000, -0.0001473000000000, 0.0001774900000000 ] - [ 0.0088694400000000, 0.0114095900000000, -0.0090970100000000 ] - [ -0.0003724000000000, 0.0001636300000000, -0.0004840600000000 ] - [ -0.0004626600000000, 0.0003196100000000, -0.0001135200000000 ] - [ 0.0010012900000000, -0.0004535100000000, 0.0039917300000000 ] - [ -0.0014519800000000, -0.0024964100000000, -0.0028785100000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005199900000000, -0.0001357300000000, -0.0000847100000000 ] - [ 0.0001645500000000, 0.0001945100000000, 0.0001021500000000 ] - [ 0.0001211400000000, 0.0005567400000000, 0.0002933700000000 ] - [ -0.0002065800000000, 0.0001440200000000, 0.0000206600000000 ] - [ 0.0001162400000000, -0.0000711400000000, 0.0000738500000000 ] - [ -0.0005106600000000, 0.0013572300000000, -0.0005088000000000 ] - [ 0.0008050400000000, -0.0002568100000000, -0.0002474200000000 ] - [ -0.0005978100000000, -0.0003866200000000, 0.0006361900000000 ] - [ -0.0004243500000000, -0.0002629200000000, -0.0002855400000000 ] - [ 0.0003050000000000, -0.0003325100000000, -0.0000655300000000 ] - [ 0.0001048200000000, -0.0000048700000000, -0.0003289600000000 ] - [ -0.0000774300000000, -0.0000341800000000, 0.0000786400000000 ] - [ 0.0001566200000000, 0.0000491400000000, 0.0000728800000000 ] - [ -0.0013198100000000, 0.0008676800000000, -0.0007624000000000 ] - [ 0.0010119800000000, 0.0009389500000000, 0.0013383100000000 ] - [ 0.0005058900000000, -0.0000894300000000, -0.0004714100000000 ] - [ 0.0000512400000000, 0.0000179200000000, -0.0001290900000000 ] - [ -0.0002211400000000, -0.0002013100000000, 0.0001946600000000 ] - [ 0.0117413300000000, 0.0212351100000000, -0.0149557900000000 ] - [ 0.0002593600000000, 0.0000457900000000, 0.0000863000000000 ] - [ 0.0002338000000000, -0.0000453400000000, 0.0002915300000000 ] - [ 0.0018597700000000, -0.0017200500000000, -0.0029706500000000 ] - [ -0.0832049400000000, -0.0985099500000000, 0.0524275500000000 ] - [ 0.0001800400000000, 0.0001399400000000, -0.0000072000000000 ] - [ -0.0003070300000000, 0.0003332600000000, 0.0002117100000000 ] - [ -0.0000271800000000, 0.0003579400000000, 0.0005240900000000 ] - [ -0.0000591600000000, -0.0000711500000000, -0.0002019900000000 ] - [ -0.0007368400000000, -0.0007109600000000, 0.0021692300000000 ] - [ 0.0002988000000000, -0.0001982500000000, 0.0002346600000000 ] - [ -0.0000525100000000, 0.0002352500000000, 0.0000646600000000 ] - [ -0.0020407500000000, -0.0015168300000000, 0.0007068800000000 ] - [ 0.0002520700000000, 0.0000216300000000, -0.0000714300000000 ] - [ -0.0005330000000000, -0.0005234500000000, -0.0004417700000000 ] - [ -0.0000798100000000, 0.0000089900000000, -0.0000063800000000 ] - [ -0.0000622800000000, 0.0000947800000000, -0.0000662300000000 ] - [ -0.0002247200000000, 0.0003690300000000, -0.0001842500000000 ] - [ -0.0001058000000000, 0.0003331300000000, 0.0001281100000000 ] - [ -0.0005694000000000, 0.0001349500000000, -0.0002521600000000 ] - [ -0.0001302600000000, 0.0004666900000000, -0.0001070000000000 ] - [ 0.0002778400000000, 0.0001016400000000, -0.0004921300000000 ] - [ 0.0003183900000000, -0.0001093300000000, 0.0000265200000000 ] - [ 0.0000596300000000, 0.0000271300000000, -0.0002027600000000 ] - [ 0.0006337600000000, 0.0002657400000000, -0.0001017800000000 ] - [ 0.0006542100000000, 0.0003157900000000, 0.0004641700000000 ] - [ 0.0003312600000000, 0.0002469300000000, 0.0003453400000000 ] - [ 0.0006501900000000, 0.0000438900000000, 0.0001147300000000 ] - [ -0.0000709200000000, -0.0003502300000000, -0.0000229000000000 ] - [ 0.0000274900000000, 0.0002859400000000, -0.0001579800000000 ] - [ 0.0000239800000000, -0.0001419500000000, 0.0000014600000000 ] - [ -0.0008871600000000, 0.0019325800000000, 0.0011458700000000 ] - [ -0.0006282900000000, 0.0000869100000000, 0.0002143500000000 ] - [ 0.0003925700000000, 0.0019563300000000, 0.0013192000000000 ] - [ -0.0000313700000000, -0.0004935400000000, 0.0001116400000000 ] - [ -0.0006207200000000, -0.0006585900000000, -0.0012359800000000 ] - [ -0.0007196300000000, -0.0006486900000000, -0.0001658300000000 ] - [ -0.0001619200000000, 0.0002122800000000, 0.0004423600000000 ] - [ 0.0001313800000000, -0.0001893800000000, -0.0006645100000000 ] - [ 0.0013701400000000, -0.0003665000000000, 0.0003796300000000 ] - [ -0.0005035200000000, -0.0003570800000000, 0.0000902600000000 ] - [ 0.0717854700000000, 0.0841595800000000, -0.0400389000000000 ] - [ -0.0000014900000000, -0.0004828100000000, -0.0001044300000000 ] - [ 0.0009618400000000, 0.0000015500000000, 0.0001958500000000 ] - [ -0.0000883100000000, -0.0007408700000000, -0.0002012400000000 ] - [ -0.0006542800000000, 0.0001690400000000, 0.0004925800000000 ] - [ -0.0005916200000000, 0.0000127400000000, 0.0002747400000000 ] - [ 0.0002624000000000, -0.0007352200000000, 0.0001660300000000 ] - [ -0.0002630200000000, -0.0014524300000000, 0.0014053700000000 ] - [ -0.0009165700000000, 0.0000360200000000, 0.0000053800000000 ] - [ -0.0002769100000000, -0.0003410600000000, -0.0000358700000000 ] - [ -0.0010498800000000, 0.0004482600000000, -0.0000665600000000 ] - [ -0.0051803600000000, -0.0135700600000000, 0.0015688900000000 ] - [ -0.0002215100000000, -0.0000580300000000, 0.0003427500000000 ] - [ -0.0000327000000000, -0.0006224900000000, 0.0005066700000000 ] - [ -0.0013389900000000, -0.0006382000000000, 0.0010123900000000 ] - [ 0.0000485200000000, 0.0000171700000000, 0.0005064500000000 ] - [ -0.0016639700000000, 0.0003517600000000, -0.0035365200000000 ] - [ -0.0003196000000000, -0.0002803800000000, -0.0001390900000000 ] - [ -0.0009505600000000, -0.0005632300000000, -0.0004271000000000 ] - [ 0.0033030900000000, -0.0016951500000000, -0.0023576900000000 ] - [ -0.0000350600000000, -0.0003325200000000, 0.0001206200000000 ] - [ -0.0000076600000000, 0.0003235200000000, 0.0002026000000000 ] - [ 0.0001148400000000, 0.0000760700000000, -0.0002783900000000 ] - [ -0.0000258400000000, -0.0001204100000000, 0.0002762300000000 ] - [ 0.0008538500000000, -0.0009195700000000, -0.0005390200000000 ] - [ 0.0001763300000000, -0.0003084500000000, -0.0003100100000000 ] - [ 0.0004197700000000, -0.0002236800000000, 0.0003171300000000 ] - [ 0.0008822100000000, -0.0009172500000000, -0.0006067000000000 ] - [ -0.0005101200000000, -0.0000898300000000, 0.0001955000000000 ] - [ 0.0004868700000000, 0.0012449000000000, 0.0002012800000000 ] - [ 0.0003314300000000, 0.0000837000000000, 0.0002871800000000 ] - [ -0.0002914300000000, -0.0004870400000000, 0.0002121700000000 ] - [ -0.0015658200000000, 0.0010557900000000, -0.0004016600000000 ] - [ -0.0014055600000000, 0.0019369500000000, 0.0005301000000000 ] - [ -0.0008450600000000, -0.0000191700000000, 0.0004940000000000 ] - [ 0.0005507100000000, 0.0000522900000000, 0.0005457700000000 ] - [ 0.0015110700000000, 0.0007489400000000, -0.0007761000000000 ] - [ 0.0012593500000000, -0.0003969500000000, -0.0002659100000000 ] - [ 0.0002512600000000, -0.0009501500000000, -0.0061217300000000 ] - [ -0.0006809500000000, 0.0005078700000000, -0.0001527800000000 ] - [ 0.0005099500000000, 0.0005308700000000, 0.0002282100000000 ] - [ 0.0001950800000000, -0.0000093700000000, 0.0000097100000000 ] - [ -0.0001335700000000, -0.0001096100000000, -0.0003141900000000 ] - [ -0.0042396900000000, -0.0005011900000000, 0.0014251800000000 ] - [ 0.0025650900000000, -0.0022594300000000, -0.0014139100000000 ] - [ -0.0004748500000000, -0.0000154000000000, -0.0004481000000000 ] - [ 0.0067607200000000, 0.0109598200000000, 0.0085518200000000 ] - [ 0.0017180900000000, 0.0011177400000000, -0.0005725200000000 ] - [ 0.0003738600000000, 0.0000143000000000, -0.0000845400000000 ]- atom: 23 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002752900000000, 0.0001683200000000, 0.0001113500000000 ] - [ 0.0000773400000000, -0.0002348600000000, -0.0001195200000000 ] - [ -0.0003590200000000, -0.0005058600000000, -0.0003059400000000 ] - [ 0.0001611600000000, -0.0001591100000000, 0.0002192500000000 ] - [ -0.0001331700000000, -0.0001697400000000, -0.0000302600000000 ] - [ 0.0004820700000000, -0.0011024000000000, 0.0004624100000000 ] - [ -0.0007626500000000, 0.0002776100000000, 0.0004902900000000 ] - [ 0.0006156300000000, 0.0006297900000000, -0.0005979300000000 ] - [ 0.0004636400000000, 0.0002416000000000, 0.0000417400000000 ] - [ -0.0003485700000000, 0.0003445400000000, -0.0001734400000000 ] - [ -0.0000876300000000, -0.0002346600000000, 0.0002816700000000 ] - [ -0.0001616700000000, -0.0000135300000000, -0.0000627200000000 ] - [ 0.0000851800000000, -0.0000899300000000, -0.0000550000000000 ] - [ 0.0013544400000000, -0.0008425000000000, 0.0005173600000000 ] - [ -0.0009869200000000, -0.0006900600000000, -0.0013700500000000 ] - [ -0.0004897600000000, -0.0001517100000000, 0.0005117000000000 ] - [ -0.0000952700000000, -0.0000343600000000, -0.0001119200000000 ] - [ 0.0002019600000000, -0.0000396100000000, -0.0002343000000000 ] - [ -0.0118625600000000, -0.0218583300000000, 0.0152771500000000 ] - [ -0.0002155000000000, -0.0000641000000000, 0.0001549800000000 ] - [ -0.0002493900000000, 0.0002849900000000, -0.0002456200000000 ] - [ -0.0016052600000000, 0.0017365600000000, 0.0029137800000000 ] - [ 0.0820172100000000, 0.1006437200000000, -0.0536792000000000 ] - [ -0.0000360400000000, 0.0001308100000000, -0.0001053900000000 ] - [ 0.0001595800000000, -0.0005944100000000, -0.0003202500000000 ] - [ 0.0002991300000000, -0.0004643700000000, -0.0003738000000000 ] - [ -0.0000530000000000, -0.0000725400000000, -0.0000666600000000 ] - [ 0.0006077200000000, 0.0008437600000000, -0.0018836300000000 ] - [ -0.0005643800000000, 0.0003080200000000, -0.0000883500000000 ] - [ 0.0001628700000000, -0.0000876100000000, -0.0003309200000000 ] - [ 0.0017661700000000, 0.0013899400000000, -0.0008479300000000 ] - [ 0.0000166300000000, 0.0000900800000000, -0.0000730900000000 ] - [ 0.0006364200000000, 0.0003745700000000, 0.0007083100000000 ] - [ -0.0000657700000000, 0.0002572500000000, 0.0001171900000000 ] - [ -0.0000814200000000, 0.0001731300000000, -0.0000467000000000 ] - [ 0.0000770300000000, -0.0006309100000000, 0.0002919800000000 ] - [ 0.0002485000000000, -0.0000614800000000, -0.0000155500000000 ] - [ 0.0002995400000000, -0.0000244100000000, 0.0001030900000000 ] - [ 0.0002393100000000, -0.0003175800000000, 0.0003724400000000 ] - [ -0.0001663400000000, -0.0002418400000000, 0.0002198900000000 ] - [ -0.0000493500000000, -0.0000024100000000, -0.0001705600000000 ] - [ -0.0001704500000000, -0.0001700100000000, 0.0004682900000000 ] - [ -0.0003586900000000, -0.0001499500000000, 0.0002416300000000 ] - [ -0.0009217800000000, -0.0004272400000000, -0.0003201800000000 ] - [ -0.0004468500000000, -0.0001082600000000, -0.0006203400000000 ] - [ -0.0005055700000000, -0.0003167100000000, -0.0002276800000000 ] - [ -0.0001711000000000, 0.0003069000000000, 0.0000050500000000 ] - [ -0.0002661300000000, -0.0002364500000000, 0.0001725800000000 ] - [ 0.0005749800000000, -0.0003044900000000, -0.0003142400000000 ] - [ 0.0005756000000000, -0.0013111800000000, -0.0015820200000000 ] - [ 0.0001767000000000, -0.0003959800000000, 0.0003852300000000 ] - [ 0.0000547500000000, -0.0016289100000000, -0.0007223800000000 ] - [ -0.0002804000000000, -0.0001116800000000, 0.0003367600000000 ] - [ 0.0010644300000000, 0.0003411000000000, 0.0006268700000000 ] - [ 0.0013199300000000, 0.0010879500000000, -0.0001495100000000 ] - [ 0.0004731600000000, 0.0003812500000000, 0.0000069900000000 ] - [ -0.0005812500000000, 0.0004942200000000, 0.0000585200000000 ] - [ -0.0007637200000000, 0.0008055800000000, -0.0000643500000000 ] - [ -0.0000965400000000, -0.0000960900000000, 0.0002236400000000 ] - [ -0.0710309000000000, -0.0852718200000000, 0.0408895800000000 ] - [ -0.0005962300000000, 0.0000282500000000, -0.0002083400000000 ] - [ -0.0005098800000000, -0.0003169300000000, 0.0004111300000000 ] - [ -0.0002220800000000, 0.0001352400000000, -0.0002474100000000 ] - [ 0.0003179100000000, 0.0004384700000000, -0.0000357300000000 ] - [ 0.0001399800000000, 0.0002976200000000, 0.0003261300000000 ] - [ 0.0000494300000000, 0.0013216600000000, -0.0006141400000000 ] - [ -0.0001788200000000, 0.0011205000000000, -0.0019784600000000 ] - [ 0.0013613300000000, 0.0002776400000000, -0.0005996200000000 ] - [ 0.0005892300000000, -0.0002522400000000, 0.0004903000000000 ] - [ 0.0004474800000000, 0.0000090000000000, 0.0003795300000000 ] - [ 0.0050933300000000, 0.0134429200000000, -0.0020397400000000 ] - [ 0.0001545500000000, -0.0001124200000000, 0.0002682900000000 ] - [ 0.0000965700000000, 0.0007814200000000, 0.0001033200000000 ] - [ 0.0011418800000000, 0.0012491700000000, -0.0010982400000000 ] - [ 0.0005621400000000, 0.0000513700000000, -0.0003362700000000 ] - [ 0.0022621400000000, -0.0004415400000000, 0.0033337900000000 ] - [ 0.0004852900000000, -0.0003292800000000, 0.0000708700000000 ] - [ 0.0003330400000000, 0.0004864200000000, 0.0005877500000000 ] - [ -0.0031169400000000, 0.0022820300000000, 0.0023982300000000 ] - [ -0.0001325900000000, -0.0002777600000000, -0.0000538500000000 ] - [ -0.0006031200000000, -0.0002499700000000, -0.0003661500000000 ] - [ -0.0000457200000000, -0.0002444200000000, -0.0003308600000000 ] - [ 0.0000937200000000, -0.0000441900000000, 0.0003372700000000 ] - [ -0.0007734600000000, 0.0010709200000000, -0.0000743100000000 ] - [ -0.0002415800000000, 0.0001365400000000, -0.0002995700000000 ] - [ -0.0002504000000000, -0.0003857100000000, -0.0002442700000000 ] - [ -0.0014813900000000, 0.0008408100000000, 0.0004378200000000 ] - [ -0.0001003400000000, 0.0001525000000000, -0.0000221300000000 ] - [ -0.0006448500000000, -0.0006210900000000, -0.0001288300000000 ] - [ 0.0002802000000000, -0.0000160100000000, -0.0004503000000000 ] - [ 0.0001218700000000, -0.0001291800000000, -0.0002784600000000 ] - [ 0.0017395600000000, -0.0004507300000000, 0.0003310300000000 ] - [ 0.0020369800000000, -0.0020225300000000, -0.0003642900000000 ] - [ 0.0007772400000000, 0.0001943800000000, 0.0001114600000000 ] - [ 0.0000500300000000, -0.0004959600000000, -0.0002248000000000 ] - [ -0.0011785200000000, -0.0013408700000000, 0.0003299500000000 ] - [ -0.0012539400000000, 0.0003890600000000, 0.0002618900000000 ] - [ -0.0002331200000000, 0.0009154400000000, 0.0060500100000000 ] - [ 0.0006769700000000, -0.0004951600000000, 0.0001505700000000 ] - [ -0.0005080600000000, -0.0005227000000000, -0.0002257300000000 ] - [ -0.0003269800000000, -0.0001239400000000, 0.0001212400000000 ] - [ 0.0002644300000000, -0.0000268600000000, 0.0001754400000000 ] - [ 0.0040527200000000, 0.0006446300000000, -0.0015619500000000 ] - [ -0.0024515000000000, 0.0024116100000000, 0.0015758000000000 ] - [ 0.0003345900000000, -0.0001141400000000, 0.0003089300000000 ] - [ -0.0065170900000000, -0.0106426100000000, -0.0086009700000000 ] - [ -0.0018258700000000, -0.0009670100000000, 0.0007094600000000 ] - [ -0.0002388800000000, -0.0001489200000000, 0.0002139300000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006904800000000, -0.0010141900000000, 0.0003926700000000 ] - [ 0.0002622000000000, 0.0004066200000000, 0.0001035400000000 ] - [ 0.0003941100000000, 0.0012053800000000, 0.0005842400000000 ] - [ -0.0002331000000000, 0.0002420900000000, 0.0000035500000000 ] - [ 0.0000608200000000, -0.0001412200000000, -0.0000538900000000 ] - [ -0.0003107600000000, 0.0010047900000000, -0.0003765100000000 ] - [ 0.0003935100000000, 0.0000900400000000, 0.0000357100000000 ] - [ -0.0005896700000000, 0.0001133000000000, -0.0002080200000000 ] - [ -0.0004057500000000, -0.0003958500000000, -0.0003187400000000 ] - [ -0.0004447000000000, -0.0006575700000000, 0.0001597700000000 ] - [ 0.0000715800000000, 0.0000809000000000, -0.0005492000000000 ] - [ 0.0000404200000000, -0.0003323200000000, -0.0000139200000000 ] - [ 0.0001944600000000, 0.0002743100000000, 0.0000956400000000 ] - [ -0.0015292500000000, 0.0014929100000000, -0.0009939100000000 ] - [ 0.0010873700000000, 0.0010307000000000, 0.0015027000000000 ] - [ -0.0001889700000000, 0.0003172100000000, 0.0003746200000000 ] - [ -0.0000952400000000, 0.0001554300000000, -0.0000513000000000 ] - [ -0.0002027100000000, -0.0001359800000000, 0.0005468500000000 ] - [ 0.0061705300000000, 0.0109473600000000, -0.0042479400000000 ] - [ 0.0000562700000000, -0.0001168600000000, 0.0001324100000000 ] - [ 0.0002144000000000, -0.0000668900000000, 0.0003698400000000 ] - [ 0.0010323700000000, -0.0049646800000000, -0.0015192300000000 ] - [ -0.0956716800000000, -0.2060766300000000, 0.1175867600000000 ] - [ 0.0000684300000000, 0.0003249700000000, -0.0000806100000000 ] - [ -0.0005407000000000, 0.0008443000000000, 0.0004555300000000 ] - [ 0.0002531500000000, 0.0006130500000000, 0.0006530900000000 ] - [ -0.0001390100000000, 0.0000453000000000, -0.0001806700000000 ] - [ -0.0012901200000000, -0.0018465900000000, 0.0017503100000000 ] - [ 0.0002382000000000, -0.0002124500000000, 0.0002720700000000 ] - [ -0.0001790900000000, 0.0005071100000000, 0.0002375500000000 ] - [ -0.0017590200000000, -0.0003583200000000, 0.0019706800000000 ] - [ 0.0001812400000000, 0.0000782700000000, -0.0000049600000000 ] - [ -0.0003705700000000, -0.0002388200000000, 0.0002529900000000 ] - [ -0.0001977200000000, -0.0001475900000000, -0.0000425200000000 ] - [ -0.0001117600000000, -0.0000481900000000, -0.0000681600000000 ] - [ -0.0005741800000000, 0.0011187500000000, -0.0006318300000000 ] - [ -0.0001263100000000, 0.0004834500000000, 0.0001543900000000 ] - [ -0.0003268900000000, 0.0000219400000000, -0.0005593000000000 ] - [ -0.0003361100000000, 0.0008652500000000, -0.0003362400000000 ] - [ 0.0000605200000000, 0.0004272700000000, -0.0006379600000000 ] - [ -0.0002116300000000, 0.0002140500000000, -0.0004082300000000 ] - [ 0.0000408700000000, 0.0001121700000000, -0.0002157200000000 ] - [ 0.0006391000000000, 0.0003712100000000, -0.0002864400000000 ] - [ 0.0003401000000000, 0.0001943700000000, 0.0003163800000000 ] - [ -0.0001035000000000, -0.0003635900000000, -0.0003237200000000 ] - [ 0.0002560800000000, -0.0006144700000000, -0.0001839400000000 ] - [ -0.0001764800000000, -0.0003392500000000, -0.0002337900000000 ] - [ 0.0001663800000000, 0.0006936500000000, -0.0003242800000000 ] - [ 0.0003043900000000, 0.0001959000000000, -0.0000840800000000 ] - [ -0.0001687100000000, 0.0032141900000000, 0.0001792200000000 ] - [ -0.0004346300000000, 0.0000989400000000, 0.0000912600000000 ] - [ 0.0013065400000000, 0.0016842300000000, -0.0006910700000000 ] - [ 0.0000184200000000, -0.0009117000000000, 0.0000351800000000 ] - [ -0.0005995100000000, -0.0007722800000000, -0.0013779700000000 ] - [ -0.0005141000000000, -0.0015434700000000, -0.0002405100000000 ] - [ -0.0000607200000000, -0.0002910400000000, 0.0003513800000000 ] - [ -0.0002194900000000, -0.0008615900000000, -0.0010689700000000 ] - [ 0.0015572100000000, -0.0012628900000000, 0.0005034100000000 ] - [ -0.0003417800000000, -0.0006222300000000, 0.0000764100000000 ] - [ 0.1016649700000000, 0.1984945200000000, -0.1196168400000000 ] - [ -0.0000163400000000, -0.0007860000000000, -0.0000937300000000 ] - [ 0.0007582300000000, -0.0003040400000000, 0.0007648800000000 ] - [ 0.0000230700000000, -0.0011800500000000, -0.0001036900000000 ] - [ -0.0021645400000000, 0.0004974000000000, 0.0015246900000000 ] - [ -0.0002654300000000, -0.0003392300000000, 0.0006191500000000 ] - [ 0.0001134600000000, -0.0013016000000000, 0.0001817800000000 ] - [ -0.0000817900000000, -0.0014845100000000, 0.0014156900000000 ] - [ -0.0010065900000000, 0.0003155400000000, 0.0003238000000000 ] - [ 0.0000235400000000, 0.0002607700000000, 0.0003762200000000 ] - [ -0.0004213400000000, 0.0011387400000000, -0.0000488700000000 ] - [ -0.0155651500000000, -0.0111366700000000, 0.0022335800000000 ] - [ -0.0000461100000000, -0.0002313800000000, 0.0002990900000000 ] - [ 0.0002266200000000, -0.0013294400000000, 0.0006492100000000 ] - [ -0.0034675400000000, -0.0022328900000000, 0.0000399300000000 ] - [ 0.0004832000000000, -0.0000270100000000, -0.0000812700000000 ] - [ -0.0022085000000000, 0.0020797500000000, -0.0046556100000000 ] - [ -0.0000620000000000, -0.0000963800000000, -0.0000885000000000 ] - [ -0.0012486300000000, -0.0011606200000000, -0.0006766900000000 ] - [ 0.0029338300000000, -0.0023191500000000, -0.0025890000000000 ] - [ 0.0001324100000000, -0.0005188000000000, 0.0001317900000000 ] - [ 0.0000022800000000, 0.0000493200000000, -0.0002485000000000 ] - [ 0.0001890300000000, 0.0000875500000000, -0.0002194100000000 ] - [ -0.0000141700000000, 0.0000745400000000, 0.0003098100000000 ] - [ 0.0015208800000000, -0.0024374500000000, -0.0004937700000000 ] - [ 0.0000743000000000, -0.0003625700000000, -0.0003800800000000 ] - [ 0.0002784400000000, -0.0000421800000000, 0.0004852500000000 ] - [ 0.0002172600000000, -0.0012198000000000, 0.0004709800000000 ] - [ -0.0004627000000000, -0.0002286900000000, 0.0004467600000000 ] - [ 0.0010834400000000, -0.0001082800000000, 0.0002749300000000 ] - [ 0.0003464400000000, 0.0000917300000000, 0.0004045700000000 ] - [ -0.0002600900000000, -0.0005898700000000, 0.0002300500000000 ] - [ -0.0002546600000000, 0.0002464500000000, -0.0002575200000000 ] - [ 0.0010449600000000, 0.0004003500000000, -0.0000202200000000 ] - [ -0.0000496300000000, 0.0010001900000000, -0.0001197500000000 ] - [ 0.0005458000000000, 0.0004249500000000, 0.0006012100000000 ] - [ 0.0016800700000000, 0.0016270200000000, -0.0001526400000000 ] - [ 0.0003897000000000, -0.0011753900000000, -0.0001116100000000 ] - [ -0.0002580800000000, -0.0041982900000000, -0.0050888100000000 ] - [ -0.0004986700000000, 0.0014829200000000, -0.0003386000000000 ] - [ 0.0003673200000000, 0.0010482000000000, 0.0003336100000000 ] - [ -0.0000058600000000, 0.0001487500000000, -0.0000558600000000 ] - [ -0.0000329900000000, -0.0004846300000000, -0.0004303500000000 ] - [ -0.0046595700000000, 0.0059801300000000, 0.0000783300000000 ] - [ -0.0007998500000000, -0.0001448600000000, 0.0008116400000000 ] - [ -0.0006433100000000, 0.0004108100000000, -0.0003223600000000 ] - [ 0.0102361500000000, 0.0123956500000000, 0.0116467600000000 ] - [ 0.0025841600000000, 0.0024458300000000, -0.0013072800000000 ] - [ -0.0000713100000000, -0.0003940900000000, -0.0000272700000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004402600000000, 0.0010464000000000, -0.0003710800000000 ] - [ -0.0000199500000000, -0.0004455700000000, -0.0001186100000000 ] - [ -0.0006297600000000, -0.0011488000000000, -0.0005961100000000 ] - [ 0.0001847500000000, -0.0002552400000000, 0.0002348000000000 ] - [ -0.0000764300000000, -0.0000991200000000, 0.0000979900000000 ] - [ 0.0002780800000000, -0.0007362700000000, 0.0003255000000000 ] - [ -0.0003392500000000, -0.0000745700000000, 0.0002011100000000 ] - [ 0.0005950200000000, 0.0001240100000000, 0.0002532600000000 ] - [ 0.0004413000000000, 0.0003717600000000, 0.0000721000000000 ] - [ 0.0004011400000000, 0.0006691100000000, -0.0003984800000000 ] - [ -0.0000530000000000, -0.0003178200000000, 0.0004956400000000 ] - [ -0.0002797100000000, 0.0002846700000000, 0.0000312500000000 ] - [ 0.0000474500000000, -0.0003149300000000, -0.0000772300000000 ] - [ 0.0015472800000000, -0.0014536500000000, 0.0007397200000000 ] - [ -0.0010542400000000, -0.0007769600000000, -0.0015247000000000 ] - [ 0.0002102700000000, -0.0005528700000000, -0.0003371900000000 ] - [ 0.0000519300000000, -0.0001714900000000, -0.0001896700000000 ] - [ 0.0001829300000000, -0.0001064600000000, -0.0005902300000000 ] - [ -0.0063282000000000, -0.0109786300000000, 0.0047664100000000 ] - [ -0.0000099100000000, 0.0000991200000000, 0.0001080700000000 ] - [ -0.0002264300000000, 0.0003044500000000, -0.0003197600000000 ] - [ -0.0007784400000000, 0.0049346800000000, 0.0014797300000000 ] - [ 0.1036507700000000, 0.2149697500000000, -0.1277427700000000 ] - [ 0.0000767100000000, -0.0000545500000000, -0.0000313700000000 ] - [ 0.0003879700000000, -0.0010979900000000, -0.0005588500000000 ] - [ 0.0000047000000000, -0.0007177500000000, -0.0004978700000000 ] - [ 0.0000263400000000, -0.0001889300000000, -0.0000887900000000 ] - [ 0.0011430900000000, 0.0019593100000000, -0.0014652200000000 ] - [ -0.0004997300000000, 0.0003195400000000, -0.0001245600000000 ] - [ 0.0002868600000000, -0.0003565200000000, -0.0005000200000000 ] - [ 0.0014567300000000, 0.0002193800000000, -0.0020817500000000 ] - [ 0.0000890700000000, 0.0000333900000000, -0.0001396300000000 ] - [ 0.0004731900000000, 0.0000883300000000, 0.0000044800000000 ] - [ 0.0000513900000000, 0.0004123000000000, 0.0001519400000000 ] - [ -0.0000325200000000, 0.0003154500000000, -0.0000449500000000 ] - [ 0.0004268500000000, -0.0013751200000000, 0.0007383600000000 ] - [ 0.0002675700000000, -0.0002104300000000, -0.0000413900000000 ] - [ 0.0000534200000000, 0.0000899400000000, 0.0004073100000000 ] - [ 0.0004441700000000, -0.0007114000000000, 0.0006003900000000 ] - [ 0.0000547000000000, -0.0005644900000000, 0.0003609700000000 ] - [ 0.0004807300000000, -0.0003254000000000, 0.0002636100000000 ] - [ -0.0001499900000000, -0.0002546800000000, 0.0004767300000000 ] - [ -0.0003596800000000, -0.0002535600000000, 0.0004245000000000 ] - [ -0.0005968900000000, -0.0002996600000000, -0.0001640900000000 ] - [ -0.0000064700000000, 0.0005043200000000, 0.0000565300000000 ] - [ -0.0001053500000000, 0.0003435000000000, 0.0000731200000000 ] - [ -0.0000689800000000, 0.0002998700000000, 0.0002112700000000 ] - [ -0.0004029900000000, -0.0006402500000000, 0.0003365500000000 ] - [ 0.0002921600000000, -0.0006408300000000, -0.0002256400000000 ] - [ -0.0001572400000000, -0.0025706400000000, -0.0006076400000000 ] - [ -0.0000219200000000, -0.0004052100000000, 0.0005063800000000 ] - [ -0.0008569200000000, -0.0013284000000000, 0.0013030100000000 ] - [ -0.0003263800000000, 0.0003042400000000, 0.0004118600000000 ] - [ 0.0010356600000000, 0.0004532000000000, 0.0007620200000000 ] - [ 0.0010961000000000, 0.0019734300000000, -0.0000765100000000 ] - [ 0.0003675400000000, 0.0008837800000000, 0.0001009000000000 ] - [ -0.0002217100000000, 0.0011677100000000, 0.0004628900000000 ] - [ -0.0009349000000000, 0.0016930500000000, -0.0001865100000000 ] - [ -0.0002608400000000, 0.0001679700000000, 0.0002360500000000 ] - [ -0.1096395200000000, -0.2070330200000000, 0.1290618800000000 ] - [ -0.0005785700000000, 0.0003289000000000, -0.0002167500000000 ] - [ -0.0002971500000000, -0.0000081500000000, -0.0001594900000000 ] - [ -0.0003334600000000, 0.0005698400000000, -0.0003463400000000 ] - [ 0.0018326500000000, 0.0001062800000000, -0.0010634100000000 ] - [ -0.0001896000000000, 0.0006461500000000, -0.0000174300000000 ] - [ 0.0001990900000000, 0.0018819400000000, -0.0006227900000000 ] - [ -0.0003636400000000, 0.0011434700000000, -0.0019760900000000 ] - [ 0.0014297600000000, -0.0000056200000000, -0.0009163600000000 ] - [ 0.0002830900000000, -0.0008543300000000, 0.0000738000000000 ] - [ -0.0001883200000000, -0.0006801500000000, 0.0003579400000000 ] - [ 0.0150062800000000, 0.0110128900000000, -0.0026035700000000 ] - [ -0.0000226800000000, 0.0000617800000000, 0.0003124300000000 ] - [ -0.0001604100000000, 0.0014755600000000, -0.0000340900000000 ] - [ 0.0032358900000000, 0.0028045700000000, -0.0001289300000000 ] - [ 0.0001261600000000, 0.0000950300000000, 0.0002543100000000 ] - [ 0.0027862800000000, -0.0021221500000000, 0.0044141000000000 ] - [ 0.0002246500000000, -0.0005128600000000, 0.0000200300000000 ] - [ 0.0006192000000000, 0.0010732700000000, 0.0008308700000000 ] - [ -0.0027192700000000, 0.0028818700000000, 0.0025940800000000 ] - [ -0.0003007300000000, -0.0000924800000000, -0.0000639600000000 ] - [ -0.0006119400000000, 0.0000253000000000, 0.0000897700000000 ] - [ -0.0001184500000000, -0.0002579700000000, -0.0003877200000000 ] - [ 0.0000816200000000, -0.0002398700000000, 0.0003031000000000 ] - [ -0.0014402100000000, 0.0025823500000000, -0.0001276700000000 ] - [ -0.0001377200000000, 0.0001892400000000, -0.0002293500000000 ] - [ -0.0001062900000000, -0.0005655800000000, -0.0004077500000000 ] - [ -0.0008093800000000, 0.0011343700000000, -0.0006499300000000 ] - [ -0.0001501800000000, 0.0002895200000000, -0.0002714800000000 ] - [ -0.0012424200000000, 0.0007219100000000, -0.0002105900000000 ] - [ 0.0002665100000000, -0.0000212100000000, -0.0005599200000000 ] - [ 0.0000892500000000, -0.0000285700000000, -0.0002937100000000 ] - [ 0.0004035500000000, 0.0003710800000000, 0.0001824100000000 ] - [ -0.0004398700000000, -0.0004430600000000, 0.0001905400000000 ] - [ -0.0000273400000000, -0.0008249100000000, 0.0007286800000000 ] - [ 0.0000570100000000, -0.0008657000000000, -0.0002769100000000 ] - [ -0.0013321500000000, -0.0022066800000000, -0.0002799300000000 ] - [ -0.0003702500000000, 0.0011600600000000, 0.0001069500000000 ] - [ 0.0003079900000000, 0.0041694300000000, 0.0048974300000000 ] - [ 0.0004864000000000, -0.0014676300000000, 0.0003322700000000 ] - [ -0.0003583800000000, -0.0010349700000000, -0.0003271400000000 ] - [ -0.0001248600000000, -0.0002805000000000, 0.0001855000000000 ] - [ 0.0001630400000000, 0.0003429000000000, 0.0002826300000000 ] - [ 0.0044752600000000, -0.0058310100000000, -0.0001647000000000 ] - [ 0.0009437400000000, 0.0002562000000000, -0.0006749400000000 ] - [ 0.0005039800000000, -0.0005371100000000, 0.0001754900000000 ] - [ -0.0098718100000000, -0.0120009600000000, -0.0115532100000000 ] - [ -0.0026617200000000, -0.0022722500000000, 0.0014210200000000 ] - [ 0.0002071700000000, 0.0002583600000000, 0.0001550800000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004027300000000, 0.0003632200000000, -0.0000760900000000 ] - [ 0.0000817600000000, -0.0001561100000000, -0.0000906400000000 ] - [ -0.0003667200000000, -0.0005445800000000, -0.0002933500000000 ] - [ 0.0001056400000000, -0.0000949700000000, 0.0001800900000000 ] - [ -0.0000459900000000, -0.0000996100000000, 0.0000760900000000 ] - [ 0.0000260500000000, -0.0000791100000000, 0.0004038500000000 ] - [ -0.0003653800000000, 0.0000514900000000, 0.0002424800000000 ] - [ 0.0005207400000000, -0.0000216000000000, 0.0000101600000000 ] - [ 0.0002349200000000, 0.0001618100000000, 0.0001796600000000 ] - [ 0.0000681000000000, 0.0003217800000000, -0.0003186600000000 ] - [ -0.0000030700000000, -0.0002666000000000, 0.0003142000000000 ] - [ -0.0001205900000000, 0.0001427500000000, 0.0000407700000000 ] - [ 0.0001102600000000, -0.0001123500000000, 0.0000042300000000 ] - [ 0.0008429200000000, -0.0006588400000000, 0.0002550800000000 ] - [ -0.0005394800000000, -0.0003284700000000, -0.0008258800000000 ] - [ -0.0005125200000000, -0.0001023800000000, 0.0009332400000000 ] - [ -0.0000565400000000, -0.0000372200000000, -0.0001124900000000 ] - [ 0.0000948200000000, 0.0000981600000000, -0.0000667700000000 ] - [ 0.0040220500000000, 0.0135417500000000, -0.0134918000000000 ] - [ -0.0000955900000000, -0.0000407200000000, 0.0001658000000000 ] - [ -0.0002401300000000, 0.0002919400000000, -0.0002905200000000 ] - [ -0.0019214100000000, 0.0010777400000000, 0.0018401500000000 ] - [ 0.0546260700000000, 0.1255173700000000, -0.1350723200000000 ] - [ 0.0000224500000000, 0.0001106900000000, -0.0000760500000000 ] - [ 0.0001933000000000, -0.0006383600000000, -0.0003519700000000 ] - [ 0.0005562800000000, -0.0002511400000000, -0.0005108400000000 ] - [ -0.0000764400000000, -0.0000365700000000, -0.0001124800000000 ] - [ 0.0021341000000000, 0.0015249100000000, -0.0001489900000000 ] - [ -0.0003658900000000, 0.0002105700000000, -0.0000354500000000 ] - [ 0.0002106800000000, -0.0001800000000000, -0.0003989300000000 ] - [ 0.0010773700000000, 0.0021306900000000, -0.0007419900000000 ] - [ 0.0000518800000000, 0.0000757200000000, -0.0000743500000000 ] - [ 0.0002519800000000, 0.0003375300000000, 0.0007979900000000 ] - [ -0.0000099400000000, 0.0002305000000000, 0.0001624800000000 ] - [ -0.0000823200000000, 0.0001209200000000, 0.0000237900000000 ] - [ 0.0001630200000000, -0.0008128800000000, 0.0004069000000000 ] - [ 0.0001425800000000, 0.0000383000000000, 0.0000577900000000 ] - [ -0.0000864500000000, -0.0000237300000000, 0.0003163700000000 ] - [ 0.0002254900000000, -0.0002956400000000, 0.0003775900000000 ] - [ -0.0000848200000000, -0.0002773700000000, 0.0001762600000000 ] - [ 0.0002274700000000, -0.0001541700000000, 0.0000413200000000 ] - [ -0.0001562000000000, -0.0001244400000000, 0.0004041700000000 ] - [ 0.0001348700000000, -0.0000826600000000, 0.0002922000000000 ] - [ -0.0005221100000000, -0.0002273600000000, -0.0001123800000000 ] - [ 0.0000247600000000, 0.0001511800000000, -0.0001673300000000 ] - [ -0.0000985200000000, -0.0000070100000000, -0.0000635300000000 ] - [ 0.0000989000000000, -0.0007022300000000, 0.0003234400000000 ] - [ -0.0002976300000000, -0.0003091400000000, 0.0002074100000000 ] - [ 0.0004137300000000, -0.0002938100000000, -0.0003760900000000 ] - [ 0.0008207300000000, -0.0008538100000000, -0.0010758700000000 ] - [ 0.0000736300000000, -0.0003982300000000, 0.0004336000000000 ] - [ 0.0009128700000000, -0.0019828300000000, -0.0009293500000000 ] - [ -0.0003213600000000, -0.0000378800000000, 0.0003529700000000 ] - [ 0.0006817800000000, 0.0001104700000000, 0.0002831900000000 ] - [ 0.0011029900000000, 0.0013447500000000, 0.0000812300000000 ] - [ 0.0003913800000000, 0.0005171000000000, 0.0001588900000000 ] - [ -0.0005453000000000, 0.0002780300000000, 0.0000877200000000 ] - [ -0.0004001700000000, 0.0008929600000000, 0.0001210400000000 ] - [ -0.0002053300000000, -0.0001174900000000, 0.0001805700000000 ] - [ -0.0661508900000000, -0.1444766600000000, 0.1358439400000000 ] - [ -0.0004486100000000, -0.0000377700000000, -0.0002443300000000 ] - [ -0.0001471700000000, 0.0000028900000000, 0.0000543000000000 ] - [ -0.0002259900000000, 0.0000628800000000, -0.0002765800000000 ] - [ 0.0003635000000000, 0.0004358200000000, -0.0002344400000000 ] - [ -0.0000999700000000, 0.0003866000000000, 0.0001575000000000 ] - [ 0.0001643400000000, 0.0010768900000000, -0.0004842800000000 ] - [ -0.0003521000000000, -0.0001577600000000, -0.0003887100000000 ] - [ 0.0009527900000000, 0.0001982500000000, -0.0006090600000000 ] - [ 0.0002242300000000, -0.0004856100000000, 0.0001939900000000 ] - [ -0.0000044400000000, -0.0001914500000000, 0.0003916800000000 ] - [ 0.0080220000000000, 0.0101487100000000, 0.0104314000000000 ] - [ 0.0001418500000000, -0.0001139400000000, 0.0001414000000000 ] - [ -0.0000268400000000, 0.0009078800000000, 0.0001008500000000 ] - [ 0.0040913500000000, 0.0027752200000000, 0.0015181600000000 ] - [ 0.0006748800000000, 0.0000453700000000, -0.0005426600000000 ] - [ 0.0007221500000000, -0.0026347700000000, 0.0034731800000000 ] - [ 0.0003180600000000, -0.0003087100000000, -0.0000261900000000 ] - [ 0.0005269700000000, 0.0009152000000000, 0.0006179000000000 ] - [ -0.0031304800000000, 0.0008541800000000, 0.0026243400000000 ] - [ -0.0000502100000000, -0.0002217000000000, -0.0000685300000000 ] - [ -0.0003543400000000, -0.0002975900000000, -0.0005257700000000 ] - [ 0.0000490600000000, 0.0003214900000000, -0.0006873900000000 ] - [ 0.0000117800000000, -0.0001795500000000, 0.0002385100000000 ] - [ -0.0007687000000000, 0.0014181300000000, -0.0000134600000000 ] - [ -0.0002051200000000, 0.0000662200000000, -0.0004687200000000 ] - [ 0.0001425400000000, -0.0003336400000000, -0.0004691900000000 ] - [ -0.0008343100000000, 0.0006246600000000, -0.0001275100000000 ] - [ -0.0002411500000000, 0.0001804900000000, -0.0001642600000000 ] - [ -0.0005720600000000, 0.0004734400000000, 0.0001793700000000 ] - [ 0.0002649300000000, -0.0000792500000000, -0.0005327800000000 ] - [ -0.0000757800000000, -0.0002262000000000, -0.0001584200000000 ] - [ 0.0005241400000000, 0.0003439400000000, 0.0002705200000000 ] - [ 0.0000974500000000, -0.0001046400000000, 0.0009033000000000 ] - [ 0.0000930900000000, -0.0003596100000000, 0.0006635800000000 ] - [ 0.0002826300000000, -0.0003222200000000, -0.0003434500000000 ] - [ -0.0015331600000000, -0.0005822300000000, -0.0014860400000000 ] - [ -0.0008253300000000, 0.0004281600000000, 0.0001334600000000 ] - [ -0.0028369500000000, -0.0034553200000000, 0.0073593400000000 ] - [ 0.0003900000000000, -0.0005932600000000, 0.0001104900000000 ] - [ -0.0003045000000000, -0.0004567100000000, -0.0002895400000000 ] - [ -0.0000465800000000, -0.0001165900000000, 0.0002001100000000 ] - [ 0.0001804000000000, 0.0001783300000000, 0.0007304700000000 ] - [ 0.0024254700000000, -0.0017635200000000, -0.0016707200000000 ] - [ -0.0004381900000000, 0.0005949000000000, -0.0010774200000000 ] - [ -0.0003219900000000, -0.0003121600000000, 0.0004768800000000 ] - [ -0.0008786700000000, -0.0018120100000000, -0.0120926200000000 ] - [ -0.0023293900000000, -0.0018657700000000, 0.0014573700000000 ] - [ -0.0001836100000000, -0.0002440500000000, 0.0005914800000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006464700000000, -0.0003272200000000, 0.0000958100000000 ] - [ 0.0001614100000000, 0.0001175200000000, 0.0000727200000000 ] - [ 0.0001294300000000, 0.0005983500000000, 0.0002804000000000 ] - [ -0.0001511500000000, 0.0000799400000000, 0.0000598400000000 ] - [ 0.0000286800000000, -0.0001423900000000, -0.0000338300000000 ] - [ -0.0000506700000000, 0.0003381500000000, -0.0004593200000000 ] - [ 0.0004142100000000, -0.0000352300000000, -0.0000034200000000 ] - [ -0.0005086800000000, 0.0002633500000000, 0.0000362200000000 ] - [ -0.0001949800000000, -0.0001815400000000, -0.0004217800000000 ] - [ -0.0001168500000000, -0.0003100600000000, 0.0000803200000000 ] - [ 0.0000208500000000, 0.0000254100000000, -0.0003587900000000 ] - [ -0.0001206500000000, -0.0001885500000000, -0.0000237000000000 ] - [ 0.0001319600000000, 0.0000715200000000, 0.0000146700000000 ] - [ -0.0008105100000000, 0.0006865700000000, -0.0005029900000000 ] - [ 0.0005642500000000, 0.0005745700000000, 0.0007911400000000 ] - [ 0.0005267300000000, -0.0001369700000000, -0.0008779100000000 ] - [ 0.0000131300000000, 0.0000204300000000, -0.0001289900000000 ] - [ -0.0001139000000000, -0.0003416100000000, 0.0000263300000000 ] - [ -0.0040249800000000, -0.0132166700000000, 0.0137254100000000 ] - [ 0.0001396300000000, 0.0000222900000000, 0.0000758800000000 ] - [ 0.0002233500000000, -0.0000515300000000, 0.0003363300000000 ] - [ 0.0021914800000000, -0.0010482000000000, -0.0018705200000000 ] - [ -0.0515233400000000, -0.1196616900000000, 0.1343389300000000 ] - [ 0.0001214500000000, 0.0001602200000000, -0.0000366900000000 ] - [ -0.0003395000000000, 0.0003757800000000, 0.0002426300000000 ] - [ -0.0002874000000000, 0.0001409000000000, 0.0006593800000000 ] - [ -0.0000372500000000, -0.0001059500000000, -0.0001575300000000 ] - [ -0.0022311900000000, -0.0013811500000000, 0.0004288700000000 ] - [ 0.0001000700000000, -0.0001003700000000, 0.0001807500000000 ] - [ -0.0000999900000000, 0.0003267000000000, 0.0001324600000000 ] - [ -0.0013561400000000, -0.0022345200000000, 0.0006019600000000 ] - [ 0.0002176600000000, 0.0000366700000000, -0.0000688200000000 ] - [ -0.0001399500000000, -0.0004857200000000, -0.0005327100000000 ] - [ -0.0001343000000000, 0.0000360900000000, -0.0000504600000000 ] - [ -0.0000636300000000, 0.0001443400000000, -0.0001365200000000 ] - [ -0.0003139700000000, 0.0005569300000000, -0.0003022900000000 ] - [ -0.0000003800000000, 0.0002342200000000, 0.0000557600000000 ] - [ -0.0001837500000000, 0.0001382200000000, -0.0004626000000000 ] - [ -0.0001185900000000, 0.0004481700000000, -0.0001161500000000 ] - [ 0.0001972900000000, 0.0001376100000000, -0.0004488700000000 ] - [ 0.0000367000000000, 0.0000450800000000, -0.0001897100000000 ] - [ 0.0000429900000000, -0.0000183300000000, -0.0001351900000000 ] - [ 0.0001408100000000, 0.0001993100000000, -0.0001511500000000 ] - [ 0.0002580500000000, 0.0001166600000000, 0.0002579700000000 ] - [ -0.0001371300000000, -0.0000073700000000, -0.0000995500000000 ] - [ 0.0002446500000000, -0.0002644300000000, -0.0000494100000000 ] - [ -0.0003373300000000, 0.0006419700000000, -0.0003398600000000 ] - [ 0.0000582500000000, 0.0003577400000000, -0.0001924000000000 ] - [ 0.0001843500000000, -0.0001529500000000, 0.0000609600000000 ] - [ -0.0011412800000000, 0.0014670200000000, 0.0006265000000000 ] - [ -0.0005251400000000, 0.0000880300000000, 0.0001646200000000 ] - [ -0.0004406700000000, 0.0022887100000000, 0.0015112100000000 ] - [ 0.0000093400000000, -0.0005663600000000, 0.0000950500000000 ] - [ -0.0002378200000000, -0.0004268400000000, -0.0008895200000000 ] - [ -0.0005112700000000, -0.0009119500000000, -0.0003973200000000 ] - [ -0.0000797400000000, 0.0000781500000000, 0.0002928700000000 ] - [ 0.0000943900000000, 0.0000313900000000, -0.0006949500000000 ] - [ 0.0010084400000000, -0.0004518700000000, 0.0001957900000000 ] - [ -0.0003952600000000, -0.0003358000000000, 0.0001341000000000 ] - [ 0.0627641700000000, 0.1387229200000000, -0.1352208800000000 ] - [ -0.0001489900000000, -0.0004168100000000, -0.0000696300000000 ] - [ 0.0006009100000000, -0.0003182400000000, 0.0005453600000000 ] - [ -0.0000839600000000, -0.0006711100000000, -0.0001695000000000 ] - [ -0.0006936900000000, 0.0001701300000000, 0.0006969600000000 ] - [ -0.0003486700000000, -0.0000778600000000, 0.0004461400000000 ] - [ 0.0001497400000000, -0.0004868600000000, 0.0000355400000000 ] - [ -0.0000933900000000, -0.0001726300000000, -0.0001759700000000 ] - [ -0.0005100000000000, 0.0001169600000000, 0.0000123800000000 ] - [ 0.0000874900000000, -0.0001115300000000, 0.0002547500000000 ] - [ -0.0005955300000000, 0.0006474000000000, -0.0000803000000000 ] - [ -0.0082272200000000, -0.0101496700000000, -0.0112833400000000 ] - [ -0.0002075000000000, -0.0000571500000000, 0.0004673000000000 ] - [ 0.0000905100000000, -0.0007469100000000, 0.0005102400000000 ] - [ -0.0042418900000000, -0.0021558400000000, -0.0015807000000000 ] - [ -0.0000588800000000, 0.0000226500000000, 0.0007052800000000 ] - [ -0.0001062200000000, 0.0025741100000000, -0.0036481300000000 ] - [ -0.0001510800000000, -0.0003007300000000, -0.0000423900000000 ] - [ -0.0011402300000000, -0.0009863700000000, -0.0004555200000000 ] - [ 0.0033279200000000, -0.0002512000000000, -0.0025741700000000 ] - [ -0.0001192400000000, -0.0003867300000000, 0.0001334000000000 ] - [ -0.0002581200000000, 0.0003716600000000, 0.0003610600000000 ] - [ 0.0000190800000000, -0.0004823700000000, 0.0000741900000000 ] - [ 0.0000592200000000, 0.0000168200000000, 0.0003751200000000 ] - [ 0.0008540800000000, -0.0012755100000000, -0.0006006800000000 ] - [ 0.0001372300000000, -0.0002391400000000, -0.0001435100000000 ] - [ 0.0000253000000000, -0.0002789500000000, 0.0005383200000000 ] - [ 0.0002355000000000, -0.0007105200000000, -0.0000372700000000 ] - [ -0.0003682900000000, -0.0001182100000000, 0.0003393500000000 ] - [ 0.0004187200000000, 0.0001386100000000, -0.0001053700000000 ] - [ 0.0003449800000000, 0.0001437900000000, 0.0003624900000000 ] - [ -0.0000936500000000, -0.0003902600000000, 0.0000918500000000 ] - [ -0.0003655800000000, 0.0002730800000000, -0.0003416900000000 ] - [ 0.0005033600000000, 0.0000507400000000, -0.0007354500000000 ] - [ -0.0001652200000000, 0.0005322100000000, -0.0000516100000000 ] - [ 0.0003221700000000, -0.0001204100000000, 0.0006592600000000 ] - [ 0.0018352900000000, -0.0000013500000000, 0.0010102900000000 ] - [ 0.0008303300000000, -0.0004348200000000, -0.0001320200000000 ] - [ 0.0027579100000000, 0.0033552800000000, -0.0072944400000000 ] - [ -0.0003926400000000, 0.0006018000000000, -0.0001105900000000 ] - [ 0.0003068100000000, 0.0004654800000000, 0.0002926300000000 ] - [ -0.0000866200000000, -0.0000175000000000, -0.0000701000000000 ] - [ -0.0000443800000000, -0.0003078800000000, -0.0008588400000000 ] - [ -0.0026208900000000, 0.0019532300000000, 0.0015544800000000 ] - [ 0.0005782200000000, -0.0004743400000000, 0.0012030100000000 ] - [ 0.0001811300000000, 0.0001770800000000, -0.0006141900000000 ] - [ 0.0009849600000000, 0.0019285700000000, 0.0120557400000000 ] - [ 0.0022150900000000, 0.0020081300000000, -0.0013157200000000 ] - [ 0.0003131200000000, 0.0001075500000000, -0.0004550500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000743200000000, 0.0002213700000000, 0.0002750900000000 ] - [ 0.0005466700000000, 0.0004905800000000, -0.0005203700000000 ] - [ -0.0000456000000000, -0.0000188500000000, 0.0001313300000000 ] - [ -0.0011736400000000, 0.0002588100000000, -0.0004209400000000 ] - [ 0.0007383500000000, 0.0002312000000000, 0.0006198100000000 ] - [ -0.0002461100000000, 0.0001250800000000, -0.0001072700000000 ] - [ 0.0005137000000000, -0.0002618500000000, -0.0000627100000000 ] - [ -0.0003991900000000, -0.0001333700000000, 0.0001691100000000 ] - [ -0.0017257900000000, -0.0007489500000000, -0.0008226100000000 ] - [ 0.0007471500000000, 0.0003279600000000, -0.0002049300000000 ] - [ 0.0020290900000000, -0.0013545700000000, 0.0008469900000000 ] - [ -0.0014382300000000, 0.0013083500000000, 0.0002475000000000 ] - [ -0.0005656900000000, -0.0011279100000000, -0.0007698500000000 ] - [ -0.0003526400000000, 0.0000991800000000, -0.0002074000000000 ] - [ 0.0003836500000000, 0.0004352300000000, 0.0000632000000000 ] - [ -0.0012411000000000, 0.0005714700000000, 0.0012128600000000 ] - [ 0.0014423200000000, -0.0007266700000000, -0.0007994700000000 ] - [ -0.0009320900000000, -0.0007463400000000, 0.0009965700000000 ] - [ -0.0005069100000000, -0.0001107000000000, 0.0000161700000000 ] - [ 0.2237015600000000, 0.0851163800000000, -0.1428065800000000 ] - [ -0.0005874300000000, -0.0000949600000000, -0.0002652700000000 ] - [ -0.0004266700000000, 0.0013442300000000, 0.0008205800000000 ] - [ -0.0002044700000000, -0.0001280900000000, 0.0001713300000000 ] - [ 0.0011374800000000, -0.0011113000000000, 0.0006475000000000 ] - [ -0.0002741100000000, -0.0000943300000000, 0.0000376400000000 ] - [ -0.0004743800000000, 0.0002083000000000, 0.0002618500000000 ] - [ 0.0005285000000000, -0.0009999600000000, 0.0009329500000000 ] - [ 0.0003351700000000, 0.0004327900000000, -0.0006310800000000 ] - [ 0.0027537200000000, -0.0011015200000000, 0.0016906900000000 ] - [ 0.0001918200000000, -0.0000145300000000, -0.0003426000000000 ] - [ -0.0007219100000000, -0.0002760800000000, 0.0000138200000000 ] - [ 0.0020532000000000, 0.0003444900000000, 0.0009768400000000 ] - [ -0.0011578200000000, -0.0010860500000000, 0.0011300000000000 ] - [ 0.0720856600000000, 0.1047909400000000, 0.0638501700000000 ] - [ -0.0008216500000000, 0.0000178300000000, 0.0002395800000000 ] - [ 0.0002268100000000, -0.0004158900000000, 0.0002067900000000 ] - [ -0.0009457100000000, 0.0009350500000000, 0.0008600100000000 ] - [ -0.0017226700000000, 0.0008364500000000, 0.0009533000000000 ] - [ -0.0000873500000000, 0.0000450100000000, -0.0001843400000000 ] - [ -0.0001897900000000, 0.0000358800000000, 0.0003294900000000 ] - [ 0.0006932100000000, -0.0002440900000000, -0.0001160200000000 ] - [ -0.0003672100000000, 0.0002304200000000, 0.0007548700000000 ] - [ -0.0007425700000000, -0.0003111100000000, 0.0005102800000000 ] - [ 0.0000653400000000, -0.0001920500000000, -0.0000664700000000 ] - [ -0.0001589500000000, -0.0016311900000000, -0.0018361900000000 ] - [ 0.0003224400000000, 0.0001109300000000, -0.0000374800000000 ] - [ -0.0009862800000000, 0.0006275700000000, -0.0014242100000000 ] - [ -0.0003184000000000, -0.0002859000000000, 0.0001976000000000 ] - [ -0.3364034300000000, -0.2190314600000000, 0.0773699400000000 ] - [ 0.0022547800000000, 0.0016021800000000, -0.0062634900000000 ] - [ -0.0016564500000000, -0.0025181700000000, 0.0015996600000000 ] - [ 0.0014976000000000, -0.0003084100000000, -0.0003405600000000 ] - [ 0.0005705500000000, 0.0003406600000000, 0.0008232400000000 ] - [ -0.0022399700000000, 0.0001646800000000, -0.0007766400000000 ] - [ -0.0003699600000000, 0.0005272700000000, -0.0001347300000000 ] - [ -0.0003827000000000, 0.0010206800000000, -0.0004659900000000 ] - [ 0.0008073300000000, 0.0005236200000000, -0.0010235700000000 ] - [ 0.0008566700000000, 0.0003144900000000, 0.0000878600000000 ] - [ -0.0020120500000000, 0.0007460500000000, 0.0000485800000000 ] - [ 0.0003820200000000, 0.0002136300000000, -0.0001428200000000 ] - [ 0.0015324400000000, -0.0003313300000000, -0.0006748700000000 ] - [ 0.0020587900000000, -0.0001295300000000, 0.0001179800000000 ] - [ -0.0007619900000000, -0.0001131700000000, 0.0004535500000000 ] - [ 0.0003159500000000, 0.0000363500000000, -0.0001759300000000 ] - [ -0.0011805400000000, 0.0001031300000000, 0.0000348700000000 ] - [ 0.0004949600000000, 0.0002496300000000, -0.0007100000000000 ] - [ 0.0010273400000000, -0.0000740400000000, -0.0002476000000000 ] - [ -0.0020981700000000, 0.0017621000000000, 0.0012175000000000 ] - [ 0.0051859100000000, 0.0012299600000000, 0.0054748700000000 ] - [ -0.0012439800000000, -0.0002768900000000, 0.0005538800000000 ] - [ -0.0000288700000000, -0.0007301600000000, -0.0009203700000000 ] - [ -0.0008201700000000, 0.0031381500000000, 0.0019058000000000 ] - [ 0.0002468500000000, 0.0001274100000000, 0.0002571600000000 ] - [ 0.0004142400000000, 0.0002024500000000, -0.0000328400000000 ] - [ 0.0040598000000000, 0.0035520000000000, -0.0016075600000000 ] - [ -0.0001054800000000, -0.0003676100000000, 0.0000904500000000 ] - [ 0.0225827900000000, 0.0178892700000000, -0.0059212400000000 ] - [ -0.0002147400000000, 0.0000438600000000, 0.0004436800000000 ] - [ 0.0004379800000000, 0.0001464000000000, -0.0001002000000000 ] - [ -0.0028448000000000, 0.0010268100000000, -0.0016166200000000 ] - [ 0.0012182000000000, 0.0000663600000000, -0.0018093200000000 ] - [ 0.0092120800000000, 0.0165484400000000, 0.0065941700000000 ] - [ 0.0007824900000000, -0.0009653700000000, -0.0001263100000000 ] - [ -0.0002651900000000, 0.0003854600000000, -0.0004371700000000 ] - [ 0.0022840000000000, -0.0033018500000000, -0.0007143300000000 ] - [ 0.0027109700000000, -0.0019609500000000, -0.0003551400000000 ] - [ -0.0002116400000000, 0.0000992700000000, -0.0001192300000000 ] - [ 0.0007761300000000, -0.0021005000000000, -0.0003640400000000 ] - [ -0.0006247600000000, 0.0003055900000000, 0.0000503100000000 ] - [ -0.0009635000000000, -0.0009859500000000, -0.0021985000000000 ] - [ 0.0015181100000000, -0.0009539300000000, -0.0005057400000000 ] - [ -0.0002495600000000, 0.0005697800000000, 0.0000049000000000 ] - [ 0.0008369000000000, 0.0008169900000000, 0.0009830700000000 ] - [ -0.0001274600000000, -0.0000298200000000, 0.0000840600000000 ] - [ 0.0024165100000000, -0.0002481100000000, 0.0001943500000000 ] - [ 0.0011150400000000, -0.0007823600000000, 0.0011323200000000 ] - [ 0.0107326500000000, 0.0016234700000000, 0.0017597900000000 ] - [ -0.0019085600000000, 0.0004464000000000, -0.0000909900000000 ] - [ -0.0012820100000000, -0.0004495400000000, 0.0002963100000000 ] - [ 0.0014729100000000, -0.0004219900000000, -0.0000061900000000 ] - [ -0.0014825500000000, 0.0024346800000000, -0.0003341800000000 ] - [ 0.0000823000000000, 0.0059537500000000, 0.0020985700000000 ] - [ -0.0000400800000000, -0.0006375200000000, 0.0005653400000000 ] - [ 0.0001000500000000, -0.0003453300000000, 0.0000973500000000 ] - [ -0.0031520900000000, -0.0055231900000000, 0.0057318900000000 ] - [ 0.0008315400000000, 0.0006309200000000, 0.0001560500000000 ] - [ -0.0000903900000000, 0.0001027400000000, -0.0001087000000000 ] - [ -0.0098105700000000, -0.0082867500000000, -0.0094407600000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001665500000000, -0.0001776700000000, -0.0002594600000000 ] - [ -0.0003103500000000, -0.0005417500000000, 0.0005073800000000 ] - [ -0.0001964300000000, 0.0000613500000000, -0.0001487300000000 ] - [ 0.0011260600000000, -0.0002726900000000, 0.0006600200000000 ] - [ -0.0007510000000000, -0.0004693300000000, -0.0005726400000000 ] - [ 0.0002277000000000, 0.0001160800000000, 0.0000618700000000 ] - [ -0.0004689200000000, 0.0002786700000000, 0.0003030000000000 ] - [ 0.0004149900000000, 0.0003743200000000, -0.0001260600000000 ] - [ 0.0017745100000000, 0.0007366000000000, 0.0005838100000000 ] - [ -0.0007897200000000, -0.0003091500000000, -0.0000361400000000 ] - [ -0.0019980300000000, 0.0011203100000000, -0.0008877700000000 ] - [ 0.0011812400000000, -0.0013392300000000, -0.0002321100000000 ] - [ 0.0008086500000000, 0.0010862600000000, 0.0007888700000000 ] - [ 0.0003953000000000, -0.0000810900000000, -0.0000347400000000 ] - [ -0.0003670700000000, -0.0001951000000000, -0.0001077100000000 ] - [ 0.0012637600000000, -0.0008152900000000, -0.0011741900000000 ] - [ -0.0014802200000000, 0.0007042500000000, 0.0005544800000000 ] - [ 0.0009097300000000, 0.0005021200000000, -0.0010354000000000 ] - [ 0.0004624400000000, 0.0001288700000000, 0.0002243500000000 ] - [ -0.2129360000000000, -0.0773604500000000, 0.1327315300000000 ] - [ 0.0005721900000000, 0.0003403000000000, 0.0003206500000000 ] - [ 0.0006650500000000, -0.0012954500000000, -0.0008352500000000 ] - [ 0.0003484100000000, -0.0001401100000000, -0.0000596800000000 ] - [ -0.0009942800000000, 0.0013804200000000, -0.0007594500000000 ] - [ 0.0001298700000000, -0.0001745900000000, -0.0001503100000000 ] - [ 0.0007412000000000, -0.0003186600000000, -0.0001175700000000 ] - [ -0.0006426500000000, 0.0008603500000000, -0.0012063400000000 ] - [ -0.0004462600000000, -0.0002880100000000, 0.0009004600000000 ] - [ -0.0030314200000000, 0.0012179600000000, -0.0015508200000000 ] - [ -0.0000794500000000, 0.0001589300000000, 0.0000735000000000 ] - [ 0.0004531400000000, 0.0001644900000000, -0.0001576700000000 ] - [ -0.0017812000000000, -0.0002379400000000, -0.0011152700000000 ] - [ 0.0012811400000000, 0.0009536000000000, -0.0008639000000000 ] - [ -0.0707328800000000, -0.1063392700000000, -0.0650292100000000 ] - [ 0.0006730000000000, 0.0002506100000000, -0.0003501400000000 ] - [ -0.0003704600000000, 0.0001464500000000, -0.0000943600000000 ] - [ 0.0010954900000000, -0.0006753800000000, -0.0007554500000000 ] - [ 0.0014608200000000, -0.0007287900000000, -0.0011059700000000 ] - [ 0.0001992100000000, 0.0000989400000000, 0.0004517100000000 ] - [ 0.0002991100000000, -0.0001821500000000, -0.0005942300000000 ] - [ -0.0004228600000000, 0.0001317200000000, -0.0000298200000000 ] - [ 0.0002554500000000, -0.0003772000000000, -0.0004856100000000 ] - [ 0.0010066300000000, 0.0004211200000000, -0.0003632400000000 ] - [ -0.0003263600000000, 0.0000751100000000, 0.0002053000000000 ] - [ 0.0000550300000000, 0.0017554400000000, 0.0015564100000000 ] - [ -0.0001764000000000, -0.0003777700000000, -0.0000755500000000 ] - [ 0.0007399800000000, -0.0006471800000000, 0.0014025300000000 ] - [ 0.0000777600000000, 0.0003307600000000, -0.0001805200000000 ] - [ 0.3247286000000000, 0.2123960100000000, -0.0659783700000000 ] - [ -0.0025768200000000, -0.0010229400000000, 0.0058579600000000 ] - [ 0.0011702200000000, 0.0022235300000000, -0.0010252900000000 ] - [ -0.0010498400000000, 0.0006236300000000, 0.0009423300000000 ] - [ -0.0008841300000000, -0.0009419300000000, -0.0003742800000000 ] - [ 0.0026972900000000, -0.0004770300000000, 0.0001768300000000 ] - [ 0.0009689000000000, -0.0000761700000000, -0.0001802000000000 ] - [ 0.0006961200000000, -0.0004226700000000, 0.0009184100000000 ] - [ -0.0012536100000000, -0.0002084700000000, 0.0004197500000000 ] - [ -0.0002555000000000, 0.0001366100000000, 0.0002270600000000 ] - [ 0.0014081100000000, -0.0011942500000000, 0.0002678300000000 ] - [ -0.0009806200000000, 0.0002350300000000, -0.0001718400000000 ] - [ -0.0021291100000000, -0.0001094900000000, 0.0003626300000000 ] - [ -0.0016149100000000, -0.0001792400000000, 0.0004836800000000 ] - [ 0.0004510100000000, -0.0004790300000000, -0.0009032700000000 ] - [ -0.0006270300000000, 0.0005651200000000, 0.0006242400000000 ] - [ 0.0007271500000000, 0.0002090000000000, 0.0005638800000000 ] - [ -0.0001813300000000, 0.0003533600000000, 0.0002592200000000 ] - [ -0.0014693200000000, -0.0002382500000000, -0.0003509900000000 ] - [ 0.0025120200000000, -0.0014566100000000, -0.0018124900000000 ] - [ -0.0047668500000000, -0.0018009900000000, -0.0049251900000000 ] - [ 0.0006386200000000, 0.0007235500000000, -0.0002415900000000 ] - [ -0.0000386400000000, 0.0008970400000000, 0.0003069300000000 ] - [ 0.0007623100000000, -0.0033125200000000, -0.0013064500000000 ] - [ -0.0001803600000000, 0.0000393900000000, 0.0003545000000000 ] - [ -0.0005828300000000, 0.0004065800000000, -0.0000325500000000 ] - [ -0.0034600400000000, -0.0034914800000000, 0.0017651400000000 ] - [ 0.0007213600000000, 0.0002957300000000, -0.0002541000000000 ] - [ -0.0224597400000000, -0.0185016100000000, 0.0057134300000000 ] - [ -0.0004005100000000, -0.0001113200000000, -0.0002811100000000 ] - [ -0.0002655100000000, 0.0004598400000000, 0.0001607800000000 ] - [ 0.0026625200000000, -0.0016278900000000, 0.0016704200000000 ] - [ -0.0018259200000000, -0.0000124600000000, 0.0016233100000000 ] - [ -0.0090080800000000, -0.0166298500000000, -0.0072206600000000 ] - [ -0.0007111800000000, 0.0007849300000000, 0.0007319700000000 ] - [ 0.0003325200000000, -0.0002163200000000, -0.0001750900000000 ] - [ -0.0023737500000000, 0.0031679100000000, 0.0001057900000000 ] - [ -0.0025763900000000, 0.0013766700000000, 0.0004244700000000 ] - [ -0.0003996700000000, -0.0001670100000000, -0.0000470600000000 ] - [ -0.0013783700000000, 0.0021466000000000, 0.0005229400000000 ] - [ 0.0004562000000000, 0.0003062000000000, 0.0000190400000000 ] - [ 0.0015935600000000, 0.0010426300000000, 0.0020511600000000 ] - [ -0.0016742700000000, 0.0003327600000000, 0.0004316700000000 ] - [ 0.0004127100000000, 0.0000446900000000, -0.0000745800000000 ] - [ -0.0002271400000000, -0.0008678700000000, -0.0007969400000000 ] - [ 0.0000539700000000, 0.0001927900000000, 0.0005332400000000 ] - [ -0.0018185200000000, -0.0002013600000000, 0.0001170000000000 ] - [ -0.0008005800000000, 0.0001709100000000, -0.0015821100000000 ] - [ -0.0107138900000000, -0.0015407800000000, -0.0018752900000000 ] - [ 0.0019073800000000, -0.0004433000000000, 0.0000915400000000 ] - [ 0.0012801400000000, 0.0004466400000000, -0.0002957900000000 ] - [ -0.0014721600000000, 0.0004216300000000, 0.0000041100000000 ] - [ 0.0013424500000000, -0.0025385000000000, 0.0004655600000000 ] - [ -0.0000161800000000, -0.0060967000000000, -0.0022986200000000 ] - [ -0.0000951300000000, 0.0007742000000000, -0.0007006400000000 ] - [ 0.0000412800000000, 0.0004758100000000, 0.0000281900000000 ] - [ 0.0029806300000000, 0.0053481300000000, -0.0057871400000000 ] - [ -0.0006966100000000, -0.0004966800000000, -0.0002909900000000 ] - [ -0.0000386900000000, 0.0000370800000000, 0.0002420100000000 ] - [ 0.0099756600000000, 0.0081778600000000, 0.0096850500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000511100000000, 0.0005716900000000, 0.0000498700000000 ] - [ -0.0005827200000000, -0.0015568900000000, 0.0009090900000000 ] - [ -0.0004429300000000, -0.0007433500000000, -0.0001317700000000 ] - [ 0.0001620500000000, -0.0005528000000000, 0.0003564100000000 ] - [ 0.0000856800000000, -0.0003728900000000, -0.0004647000000000 ] - [ -0.0000691800000000, -0.0000262900000000, -0.0003278000000000 ] - [ 0.0001980700000000, -0.0003042400000000, -0.0000055000000000 ] - [ 0.0000704300000000, 0.0002806500000000, -0.0002770600000000 ] - [ 0.0005680300000000, 0.0008828300000000, 0.0002897100000000 ] - [ 0.0002391100000000, 0.0002626400000000, -0.0000611700000000 ] - [ 0.0005654400000000, -0.0015643800000000, -0.0016521300000000 ] - [ 0.0003385600000000, 0.0011017800000000, 0.0007349000000000 ] - [ -0.0004711200000000, -0.0013014500000000, -0.0007261400000000 ] - [ 0.0001305800000000, -0.0001830000000000, -0.0000452700000000 ] - [ 0.0003467400000000, 0.0004754700000000, 0.0007911500000000 ] - [ -0.0005017100000000, 0.0003125200000000, 0.0008364100000000 ] - [ 0.0011987900000000, -0.0014687800000000, -0.0009656400000000 ] - [ -0.0008628400000000, -0.0008651700000000, 0.0010963400000000 ] - [ 0.0000413400000000, 0.0001986800000000, 0.0002127000000000 ] - [ 0.1025923400000000, 0.0639564200000000, -0.0550481200000000 ] - [ 0.0015737400000000, 0.0001864800000000, 0.0022323600000000 ] - [ -0.0001891600000000, 0.0018367500000000, 0.0003746700000000 ] - [ 0.0001552000000000, 0.0002845800000000, -0.0000153700000000 ] - [ 0.0006559000000000, -0.0013401700000000, 0.0006153700000000 ] - [ 0.0000567000000000, -0.0005279700000000, -0.0001641900000000 ] - [ -0.0000547200000000, 0.0000744000000000, 0.0001861000000000 ] - [ 0.0004021500000000, -0.0009116300000000, 0.0006796800000000 ] - [ 0.0002651700000000, 0.0004305500000000, 0.0001327400000000 ] - [ 0.0002475000000000, -0.0007928000000000, 0.0014350800000000 ] - [ 0.0003534200000000, -0.0003271900000000, -0.0003398100000000 ] - [ -0.0002584100000000, -0.0001212400000000, 0.0001442900000000 ] - [ 0.0000754800000000, -0.0011750800000000, 0.0004785800000000 ] - [ -0.0006070800000000, 0.0001015800000000, 0.0012105900000000 ] - [ 0.0809578400000000, 0.1985346000000000, 0.1367196700000000 ] - [ 0.0001454200000000, 0.0010417300000000, -0.0004739000000000 ] - [ 0.0001819700000000, -0.0006905700000000, 0.0002444900000000 ] - [ 0.0009454700000000, -0.0016274500000000, -0.0010762100000000 ] - [ 0.0002702700000000, -0.0002050100000000, -0.0004634100000000 ] - [ 0.0001793800000000, -0.0002919100000000, 0.0001713700000000 ] - [ 0.0004276500000000, 0.0006600900000000, -0.0006596700000000 ] - [ 0.0002853700000000, -0.0000853100000000, -0.0003370500000000 ] - [ 0.0006781500000000, -0.0012136700000000, -0.0010888700000000 ] - [ 0.0000109500000000, 0.0000011100000000, 0.0000974300000000 ] - [ -0.0014276600000000, -0.0005208600000000, -0.0001886100000000 ] - [ 0.0000718200000000, 0.0000370700000000, 0.0000123900000000 ] - [ 0.0003467300000000, 0.0005110000000000, 0.0000457800000000 ] - [ -0.0012165300000000, 0.0030087300000000, -0.0015562700000000 ] - [ -0.0003548300000000, -0.0006026500000000, 0.0002562400000000 ] - [ -0.2122337700000000, -0.3010923300000000, -0.0821607800000000 ] - [ 0.0017749000000000, -0.0011015800000000, -0.0041968700000000 ] - [ -0.0041857100000000, 0.0045358400000000, -0.0057099400000000 ] - [ 0.0005992800000000, -0.0003316500000000, -0.0002955300000000 ] - [ -0.0000177600000000, 0.0009692500000000, 0.0006003700000000 ] - [ -0.0000825200000000, 0.0008164300000000, -0.0016578300000000 ] - [ 0.0000002100000000, 0.0009597500000000, -0.0002279100000000 ] - [ -0.0000223500000000, 0.0013281700000000, -0.0003788700000000 ] - [ 0.0003811500000000, 0.0008644400000000, -0.0009936700000000 ] - [ 0.0002121000000000, 0.0007765600000000, 0.0001786700000000 ] - [ -0.0012695200000000, 0.0017643100000000, 0.0003979400000000 ] - [ -0.0003119300000000, -0.0003425900000000, -0.0002245300000000 ] - [ -0.0001900500000000, 0.0020367400000000, 0.0000056400000000 ] - [ 0.0002954200000000, 0.0003352500000000, 0.0009782700000000 ] - [ -0.0000635700000000, 0.0015382500000000, -0.0002986600000000 ] - [ -0.0002536500000000, -0.0006498500000000, 0.0004051900000000 ] - [ -0.0004060300000000, 0.0006217000000000, 0.0007009300000000 ] - [ -0.0001817600000000, 0.0015508300000000, 0.0005107200000000 ] - [ 0.0005097800000000, -0.0004440600000000, 0.0001843500000000 ] - [ 0.0005938800000000, 0.0024854300000000, 0.0049207300000000 ] - [ 0.0009092900000000, -0.0026145800000000, 0.0005807600000000 ] - [ -0.0007997100000000, -0.0007715000000000, -0.0001885800000000 ] - [ -0.0002685400000000, -0.0009863900000000, -0.0006424300000000 ] - [ -0.0002242800000000, 0.0023650900000000, 0.0011128400000000 ] - [ -0.0003187500000000, 0.0006581600000000, -0.0000615400000000 ] - [ -0.0002024900000000, 0.0000949000000000, -0.0001431300000000 ] - [ 0.0023041400000000, 0.0024353000000000, -0.0009939500000000 ] - [ -0.0001048500000000, -0.0002785500000000, -0.0003673400000000 ] - [ 0.0172400500000000, 0.0077299700000000, -0.0045502400000000 ] - [ -0.0013131200000000, 0.0001816600000000, -0.0011776300000000 ] - [ -0.0000572800000000, 0.0003232400000000, -0.0000991500000000 ] - [ -0.0018728800000000, 0.0019379400000000, -0.0011801700000000 ] - [ 0.0014679500000000, -0.0010844100000000, -0.0027374600000000 ] - [ 0.0183038300000000, 0.0194856700000000, 0.0085151300000000 ] - [ -0.0005579700000000, -0.0008808200000000, 0.0000959300000000 ] - [ 0.0000532600000000, 0.0007310700000000, -0.0004489900000000 ] - [ -0.0028031100000000, 0.0035131100000000, -0.0001602900000000 ] - [ -0.0016609000000000, -0.0015880600000000, 0.0014907000000000 ] - [ -0.0002757000000000, 0.0003193000000000, -0.0002258800000000 ] - [ -0.0023037400000000, 0.0015040700000000, 0.0004177100000000 ] - [ -0.0000885700000000, 0.0002993100000000, 0.0002428200000000 ] - [ -0.0022215700000000, 0.0026090400000000, 0.0006256100000000 ] - [ -0.0010789000000000, 0.0005243600000000, 0.0001637000000000 ] - [ 0.0006577200000000, 0.0005866900000000, 0.0004968100000000 ] - [ 0.0003356300000000, -0.0002013100000000, 0.0000741400000000 ] - [ -0.0001450400000000, -0.0004298100000000, 0.0001726300000000 ] - [ 0.0002755000000000, -0.0017027600000000, -0.0000238500000000 ] - [ 0.0004014300000000, -0.0027730400000000, 0.0000890500000000 ] - [ 0.0016191600000000, 0.0108810200000000, -0.0010598000000000 ] - [ -0.0003784000000000, 0.0013945800000000, 0.0001594200000000 ] - [ -0.0000835500000000, -0.0013301800000000, -0.0000272500000000 ] - [ 0.0002751700000000, -0.0018743100000000, 0.0000556900000000 ] - [ 0.0028902000000000, -0.0022361800000000, 0.0006967400000000 ] - [ 0.0066606800000000, 0.0004266900000000, -0.0014898200000000 ] - [ -0.0003638800000000, -0.0003896800000000, 0.0004050100000000 ] - [ -0.0002409500000000, 0.0001943800000000, 0.0000833200000000 ] - [ -0.0049370100000000, -0.0068209900000000, 0.0084150000000000 ] - [ 0.0011226500000000, 0.0002376900000000, -0.0002308000000000 ] - [ 0.0007315400000000, 0.0006005500000000, 0.0007857100000000 ] - [ -0.0058285800000000, -0.0050706900000000, -0.0058533800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002929300000000, -0.0005298000000000, -0.0000332500000000 ] - [ 0.0008204800000000, 0.0015096300000000, -0.0009223200000000 ] - [ 0.0002011400000000, 0.0007876300000000, 0.0001142000000000 ] - [ -0.0002080400000000, 0.0005396000000000, -0.0001167800000000 ] - [ -0.0001016100000000, 0.0001348500000000, 0.0005119200000000 ] - [ 0.0000517400000000, 0.0002676400000000, 0.0002825700000000 ] - [ -0.0001571100000000, 0.0003245600000000, 0.0002477100000000 ] - [ -0.0000516600000000, -0.0000379000000000, 0.0003209300000000 ] - [ -0.0005204200000000, -0.0008984800000000, -0.0005294100000000 ] - [ -0.0002851600000000, -0.0002457900000000, -0.0001808900000000 ] - [ -0.0005427700000000, 0.0013294500000000, 0.0016017000000000 ] - [ -0.0005741200000000, -0.0011590600000000, -0.0007218600000000 ] - [ 0.0007161100000000, 0.0012665200000000, 0.0007482700000000 ] - [ -0.0000868000000000, 0.0002021600000000, -0.0001965300000000 ] - [ -0.0003300700000000, -0.0002347300000000, -0.0008345800000000 ] - [ 0.0005259900000000, -0.0005568600000000, -0.0008000200000000 ] - [ -0.0012422000000000, 0.0014524200000000, 0.0007255300000000 ] - [ 0.0008447700000000, 0.0006240500000000, -0.0011387100000000 ] - [ -0.0000851200000000, -0.0001811500000000, 0.0000281800000000 ] - [ -0.1011544400000000, -0.0655271900000000, 0.0544811200000000 ] - [ -0.0016027400000000, 0.0000466700000000, -0.0022031800000000 ] - [ 0.0004282000000000, -0.0018032700000000, -0.0003884000000000 ] - [ -0.0000098600000000, -0.0005529700000000, 0.0001268700000000 ] - [ -0.0005182300000000, 0.0016160600000000, -0.0007303200000000 ] - [ -0.0002016800000000, 0.0002613500000000, 0.0000523600000000 ] - [ 0.0003230600000000, -0.0001851700000000, -0.0000417800000000 ] - [ -0.0005184600000000, 0.0007755800000000, -0.0009556200000000 ] - [ -0.0003755900000000, -0.0002843400000000, 0.0001353500000000 ] - [ -0.0005397400000000, 0.0009109100000000, -0.0012951500000000 ] - [ -0.0002439000000000, 0.0004751000000000, 0.0000722000000000 ] - [ -0.0000081100000000, 0.0000116300000000, -0.0002889400000000 ] - [ 0.0002031600000000, 0.0013225600000000, -0.0006253800000000 ] - [ 0.0007479700000000, -0.0002337000000000, -0.0009521200000000 ] - [ -0.0886428900000000, -0.2069877600000000, -0.1466298100000000 ] - [ -0.0002912200000000, -0.0007763500000000, 0.0003633800000000 ] - [ -0.0003268000000000, 0.0004240500000000, -0.0001333700000000 ] - [ -0.0007935700000000, 0.0018901900000000, 0.0011816100000000 ] - [ -0.0005346600000000, 0.0003160200000000, 0.0003190700000000 ] - [ -0.0000676900000000, 0.0004370100000000, 0.0000965000000000 ] - [ -0.0003187800000000, -0.0008087800000000, 0.0003947500000000 ] - [ -0.0000161000000000, -0.0000260300000000, 0.0001917200000000 ] - [ -0.0007859400000000, 0.0010667000000000, 0.0013478300000000 ] - [ 0.0002548400000000, 0.0001099200000000, 0.0000485900000000 ] - [ 0.0011599500000000, 0.0004095300000000, 0.0003371400000000 ] - [ -0.0001880700000000, 0.0001190600000000, -0.0002701100000000 ] - [ -0.0002041500000000, -0.0007803200000000, -0.0001574600000000 ] - [ 0.0009717900000000, -0.0030430300000000, 0.0015350300000000 ] - [ 0.0001153500000000, 0.0006507000000000, -0.0002401600000000 ] - [ 0.2191739600000000, 0.3108275200000000, 0.0927369100000000 ] - [ -0.0021068100000000, 0.0017238300000000, 0.0037867900000000 ] - [ 0.0037993100000000, -0.0049307000000000, 0.0064107800000000 ] - [ -0.0001542800000000, 0.0006475600000000, 0.0008996100000000 ] - [ -0.0002951300000000, -0.0015756000000000, -0.0001532400000000 ] - [ 0.0005440700000000, -0.0011286300000000, 0.0010589100000000 ] - [ 0.0006020400000000, -0.0005109900000000, -0.0000865900000000 ] - [ 0.0003381900000000, -0.0007340900000000, 0.0008330600000000 ] - [ -0.0008312800000000, -0.0005512300000000, 0.0003926500000000 ] - [ 0.0003875500000000, -0.0003278900000000, 0.0001359400000000 ] - [ 0.0006731700000000, -0.0022181900000000, -0.0000831300000000 ] - [ -0.0002885000000000, 0.0007944500000000, -0.0000883800000000 ] - [ -0.0004099900000000, -0.0024800400000000, -0.0003172000000000 ] - [ 0.0001482600000000, -0.0006487300000000, -0.0003809300000000 ] - [ -0.0002468800000000, -0.0021329300000000, -0.0001520300000000 ] - [ -0.0000571600000000, 0.0012561700000000, 0.0000440000000000 ] - [ -0.0000446500000000, -0.0003099400000000, -0.0001013600000000 ] - [ 0.0004905200000000, -0.0009478300000000, -0.0009554500000000 ] - [ -0.0009569300000000, 0.0001351900000000, -0.0007833300000000 ] - [ -0.0001542200000000, -0.0021597800000000, -0.0054759200000000 ] - [ -0.0006352500000000, 0.0019979700000000, -0.0001674500000000 ] - [ 0.0002029600000000, 0.0012277700000000, 0.0004992900000000 ] - [ 0.0001995100000000, 0.0011591200000000, 0.0000322500000000 ] - [ 0.0001686700000000, -0.0025520700000000, -0.0005166600000000 ] - [ 0.0003896700000000, -0.0004927400000000, 0.0006774700000000 ] - [ 0.0000372900000000, 0.0005201000000000, 0.0000751200000000 ] - [ -0.0017133900000000, -0.0023840400000000, 0.0011651900000000 ] - [ 0.0007217400000000, 0.0002059600000000, 0.0002057700000000 ] - [ -0.0171662800000000, -0.0084717700000000, 0.0044457100000000 ] - [ 0.0007115100000000, -0.0002494100000000, 0.0013588800000000 ] - [ 0.0002278900000000, 0.0002834900000000, 0.0001614000000000 ] - [ 0.0016830300000000, -0.0025508800000000, 0.0012275900000000 ] - [ -0.0020870100000000, 0.0011379500000000, 0.0025515300000000 ] - [ -0.0182160400000000, -0.0195935400000000, -0.0092410100000000 ] - [ 0.0006307000000000, 0.0007250100000000, 0.0005197400000000 ] - [ 0.0000121100000000, -0.0005614600000000, -0.0001594500000000 ] - [ 0.0027099200000000, -0.0036528700000000, -0.0004492500000000 ] - [ 0.0018253900000000, 0.0009607800000000, -0.0014025000000000 ] - [ -0.0003368400000000, -0.0003870000000000, 0.0000619200000000 ] - [ 0.0017136100000000, -0.0014492000000000, -0.0002563700000000 ] - [ -0.0000777400000000, 0.0003146800000000, -0.0001717900000000 ] - [ 0.0027952800000000, -0.0024953600000000, -0.0007799200000000 ] - [ 0.0009239700000000, -0.0011424500000000, -0.0002356600000000 ] - [ -0.0004876100000000, 0.0000240700000000, -0.0005638500000000 ] - [ 0.0002708900000000, 0.0001334200000000, 0.0000899900000000 ] - [ 0.0000750800000000, 0.0005977100000000, 0.0004427500000000 ] - [ 0.0003204900000000, 0.0012583900000000, 0.0003375500000000 ] - [ -0.0000888300000000, 0.0021671200000000, -0.0005377100000000 ] - [ -0.0017095400000000, -0.0108885400000000, 0.0009283000000000 ] - [ 0.0003799500000000, -0.0013962100000000, -0.0001615000000000 ] - [ 0.0000871000000000, 0.0013344300000000, 0.0000287100000000 ] - [ -0.0002785400000000, 0.0018775100000000, -0.0000552500000000 ] - [ -0.0030559700000000, 0.0021166200000000, -0.0005676600000000 ] - [ -0.0065288100000000, -0.0004782000000000, 0.0012963100000000 ] - [ 0.0002332100000000, 0.0005250300000000, -0.0005468300000000 ] - [ 0.0003712300000000, -0.0000564700000000, 0.0000496400000000 ] - [ 0.0047894400000000, 0.0066653100000000, -0.0084565100000000 ] - [ -0.0009901500000000, -0.0001037400000000, 0.0000941700000000 ] - [ -0.0008726700000000, -0.0004741200000000, -0.0006585600000000 ] - [ 0.0060230200000000, 0.0049906100000000, 0.0060791600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000397200000000, 0.0001903400000000, -0.0004420200000000 ] - [ 0.0001538800000000, 0.0000715700000000, -0.0001316200000000 ] - [ -0.0000390600000000, 0.0000935300000000, 0.0001508700000000 ] - [ -0.0002885200000000, 0.0002303400000000, 0.0000286900000000 ] - [ 0.0001701700000000, -0.0002634500000000, -0.0001332500000000 ] - [ 0.0000906400000000, -0.0000592600000000, -0.0004619200000000 ] - [ 0.0001269600000000, -0.0001783900000000, -0.0001048400000000 ] - [ -0.0002587200000000, -0.0001280700000000, 0.0003800700000000 ] - [ 0.0000999900000000, 0.0001331800000000, 0.0000771500000000 ] - [ 0.0004355600000000, 0.0003995400000000, -0.0006942800000000 ] - [ 0.0013194600000000, -0.0027376500000000, 0.0008780300000000 ] - [ -0.0011032900000000, 0.0010866000000000, 0.0009457600000000 ] - [ 0.0004061800000000, 0.0004867900000000, 0.0004484500000000 ] - [ 0.0000641200000000, -0.0000270300000000, -0.0001249700000000 ] - [ -0.0003072900000000, 0.0000157700000000, -0.0010690300000000 ] - [ 0.0004249300000000, -0.0004486300000000, -0.0006251300000000 ] - [ 0.0002338500000000, -0.0001836300000000, -0.0001188300000000 ] - [ -0.0002716400000000, -0.0003083000000000, 0.0006010800000000 ] - [ -0.0001320600000000, -0.0000585500000000, 0.0000132400000000 ] - [ -0.1168252100000000, -0.0319530600000000, 0.1236256900000000 ] - [ -0.0009955300000000, -0.0000148500000000, -0.0016090000000000 ] - [ 0.0009691000000000, -0.0014903000000000, -0.0009221900000000 ] - [ 0.0002324200000000, -0.0000623100000000, -0.0001643200000000 ] - [ -0.0001511000000000, 0.0004808100000000, -0.0000942900000000 ] - [ -0.0001398200000000, -0.0000545600000000, -0.0000330900000000 ] - [ -0.0000392300000000, 0.0001107100000000, 0.0001982000000000 ] - [ -0.0003266700000000, 0.0004303500000000, -0.0007519500000000 ] - [ 0.0000712200000000, 0.0004153700000000, -0.0008795300000000 ] - [ -0.0001557200000000, 0.0010362900000000, -0.0006642900000000 ] - [ -0.0001887200000000, 0.0003157300000000, 0.0001193100000000 ] - [ 0.0000820200000000, 0.0001810700000000, -0.0003924600000000 ] - [ 0.0016424900000000, 0.0017451600000000, 0.0012756100000000 ] - [ 0.0022033200000000, 0.0017294000000000, 0.0016421000000000 ] - [ 0.0391450300000000, 0.1212625000000000, 0.1351519200000000 ] - [ -0.0002966500000000, -0.0000695900000000, 0.0001803800000000 ] - [ -0.0001253300000000, -0.0000726300000000, -0.0000325300000000 ] - [ 0.0000668200000000, 0.0002140200000000, 0.0002937600000000 ] - [ -0.0000885100000000, 0.0000466000000000, 0.0000320700000000 ] - [ -0.0001778500000000, 0.0002161000000000, -0.0003617900000000 ] - [ 0.0002152000000000, -0.0002324600000000, -0.0002837200000000 ] - [ 0.0000038000000000, 0.0000142900000000, -0.0005088000000000 ] - [ -0.0000138400000000, -0.0001959600000000, 0.0002941600000000 ] - [ -0.0000451700000000, -0.0000158900000000, 0.0001400000000000 ] - [ -0.0021392300000000, -0.0005847300000000, -0.0004130900000000 ] - [ -0.0000605800000000, -0.0012141000000000, -0.0014477900000000 ] - [ -0.0003139700000000, -0.0005744400000000, -0.0005582900000000 ] - [ -0.0010933100000000, 0.0000870800000000, -0.0008010400000000 ] - [ 0.0000581600000000, 0.0003112800000000, -0.0002512100000000 ] - [ 0.0701663000000000, -0.0851321500000000, -0.3102840100000000 ] - [ -0.0056704400000000, -0.0020932000000000, 0.0045447400000000 ] - [ 0.0017209700000000, -0.0056551100000000, 0.0027113900000000 ] - [ 0.0000835500000000, 0.0001399200000000, 0.0010308100000000 ] - [ -0.0001394000000000, -0.0007679800000000, -0.0002676800000000 ] - [ 0.0004785800000000, -0.0010604700000000, 0.0006586900000000 ] - [ 0.0003228900000000, 0.0002975000000000, 0.0003166100000000 ] - [ 0.0001139400000000, -0.0000684800000000, 0.0009370000000000 ] - [ -0.0000445400000000, 0.0001125700000000, -0.0008433200000000 ] - [ 0.0003690300000000, 0.0002478800000000, 0.0000545800000000 ] - [ -0.0004090900000000, -0.0004655100000000, 0.0001820900000000 ] - [ -0.0003154400000000, 0.0002923600000000, 0.0003042500000000 ] - [ 0.0002205900000000, -0.0000615400000000, -0.0006890400000000 ] - [ 0.0001311300000000, -0.0000855900000000, -0.0003099100000000 ] - [ -0.0000861800000000, -0.0003213600000000, 0.0002688800000000 ] - [ -0.0001020900000000, 0.0003525800000000, 0.0006940200000000 ] - [ -0.0003235800000000, 0.0001019800000000, 0.0007738300000000 ] - [ -0.0000069900000000, 0.0003835500000000, -0.0005172100000000 ] - [ 0.0001128600000000, 0.0000053000000000, 0.0000411600000000 ] - [ 0.0010019500000000, 0.0056081600000000, 0.0047203900000000 ] - [ 0.0055953100000000, 0.0013101300000000, 0.0025519100000000 ] - [ 0.0001006200000000, -0.0001210200000000, 0.0019500100000000 ] - [ -0.0000880100000000, 0.0011026600000000, 0.0006242900000000 ] - [ 0.0009765000000000, -0.0016273800000000, -0.0012499700000000 ] - [ 0.0003867100000000, -0.0003904900000000, 0.0007935900000000 ] - [ 0.0001464000000000, 0.0001778000000000, 0.0001540500000000 ] - [ -0.0015820100000000, -0.0015558700000000, 0.0002899300000000 ] - [ 0.0004997600000000, -0.0003848600000000, 0.0012332900000000 ] - [ -0.0145449800000000, -0.0104702100000000, -0.0025563500000000 ] - [ 0.0004293700000000, -0.0001718000000000, 0.0010159700000000 ] - [ -0.0003933700000000, 0.0004600900000000, 0.0007172000000000 ] - [ -0.0023584600000000, -0.0001988200000000, -0.0019937200000000 ] - [ -0.0002531200000000, -0.0020219600000000, -0.0028744900000000 ] - [ 0.0118315200000000, 0.0149874500000000, -0.0009739600000000 ] - [ 0.0001401300000000, -0.0010845300000000, -0.0007071900000000 ] - [ -0.0001492100000000, -0.0000348500000000, -0.0000607000000000 ] - [ 0.0005967900000000, -0.0009510700000000, -0.0012830100000000 ] - [ -0.0002323700000000, 0.0002093500000000, -0.0014541300000000 ] - [ -0.0004649900000000, -0.0005014400000000, 0.0008122900000000 ] - [ -0.0010864300000000, 0.0009509500000000, -0.0008081500000000 ] - [ -0.0001945000000000, 0.0000260300000000, 0.0006762200000000 ] - [ -0.0010846500000000, 0.0008821000000000, -0.0024381100000000 ] - [ 0.0002112100000000, -0.0004540800000000, -0.0005551900000000 ] - [ 0.0009665500000000, 0.0006295300000000, 0.0007382400000000 ] - [ 0.0006282800000000, 0.0006380700000000, 0.0008191000000000 ] - [ -0.0000507700000000, -0.0000920700000000, 0.0010154700000000 ] - [ 0.0002571100000000, -0.0000443400000000, -0.0000765000000000 ] - [ 0.0010607200000000, -0.0006291300000000, 0.0007475800000000 ] - [ 0.0066356900000000, -0.0059110100000000, 0.0269559300000000 ] - [ -0.0004910000000000, -0.0001195700000000, -0.0005745400000000 ] - [ 0.0000084000000000, 0.0000115500000000, 0.0006699200000000 ] - [ 0.0001415300000000, 0.0004462600000000, -0.0006401100000000 ] - [ -0.0000873100000000, 0.0006727400000000, 0.0025502500000000 ] - [ 0.0007209000000000, -0.0000892200000000, 0.0069621700000000 ] - [ 0.0004105600000000, 0.0010195600000000, -0.0014425800000000 ] - [ 0.0000864200000000, 0.0003568700000000, -0.0010292500000000 ] - [ -0.0011473900000000, -0.0014125800000000, 0.0077962300000000 ] - [ 0.0002711800000000, -0.0005494900000000, -0.0020623800000000 ] - [ -0.0007554500000000, 0.0001916500000000, -0.0011298300000000 ] - [ 0.0025602700000000, 0.0025359800000000, 0.0081079800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001981800000000, -0.0001455300000000, 0.0004546500000000 ] - [ 0.0000859400000000, -0.0001196300000000, 0.0001143700000000 ] - [ -0.0002016700000000, -0.0000499200000000, -0.0001677500000000 ] - [ 0.0002420100000000, -0.0002451300000000, 0.0002102800000000 ] - [ -0.0001882100000000, 0.0000240400000000, 0.0001735800000000 ] - [ -0.0001070100000000, 0.0002981800000000, 0.0004114000000000 ] - [ -0.0000833700000000, 0.0001941000000000, 0.0003436900000000 ] - [ 0.0002748100000000, 0.0003671800000000, -0.0003338500000000 ] - [ -0.0000498200000000, -0.0001467700000000, -0.0003161000000000 ] - [ -0.0004774600000000, -0.0003787600000000, 0.0004502600000000 ] - [ -0.0012916700000000, 0.0024702100000000, -0.0009220000000000 ] - [ 0.0008628500000000, -0.0011270600000000, -0.0009226200000000 ] - [ -0.0001616300000000, -0.0005256100000000, -0.0004267400000000 ] - [ -0.0000178800000000, 0.0000430900000000, -0.0001162800000000 ] - [ 0.0003235000000000, 0.0002177300000000, 0.0010267300000000 ] - [ -0.0003996300000000, 0.0002025100000000, 0.0006583700000000 ] - [ -0.0002739000000000, 0.0001613900000000, -0.0001250600000000 ] - [ 0.0002508900000000, 0.0000643400000000, -0.0006393400000000 ] - [ 0.0000884900000000, 0.0000763900000000, 0.0002264400000000 ] - [ 0.1222360800000000, 0.0337644300000000, -0.1234867800000000 ] - [ 0.0009818400000000, 0.0002530700000000, 0.0016534100000000 ] - [ -0.0007236200000000, 0.0015306800000000, 0.0008980900000000 ] - [ -0.0000852000000000, -0.0002040000000000, 0.0002730000000000 ] - [ 0.0002907700000000, -0.0002090900000000, -0.0000201600000000 ] - [ -0.0000045000000000, -0.0002140300000000, -0.0000799400000000 ] - [ 0.0003058200000000, -0.0002206600000000, -0.0000532000000000 ] - [ 0.0002104700000000, -0.0005678800000000, 0.0004740200000000 ] - [ -0.0001757900000000, -0.0002704800000000, 0.0011503900000000 ] - [ -0.0001443400000000, -0.0009257800000000, 0.0007967300000000 ] - [ 0.0002983600000000, -0.0001697500000000, -0.0003856800000000 ] - [ -0.0003461300000000, -0.0002905800000000, 0.0002444400000000 ] - [ -0.0013701100000000, -0.0016229900000000, -0.0014126700000000 ] - [ -0.0020679800000000, -0.0018544000000000, -0.0013710000000000 ] - [ -0.0418230000000000, -0.1272690900000000, -0.1358993300000000 ] - [ 0.0001514300000000, 0.0003372100000000, -0.0002921400000000 ] - [ -0.0000190800000000, -0.0001961100000000, 0.0001427700000000 ] - [ 0.0000812500000000, 0.0000501500000000, -0.0001843300000000 ] - [ -0.0001743600000000, 0.0000615100000000, -0.0001789600000000 ] - [ 0.0002874600000000, -0.0000711600000000, 0.0006241500000000 ] - [ -0.0001050900000000, 0.0000883500000000, 0.0000120800000000 ] - [ 0.0002636800000000, -0.0001231600000000, 0.0003597700000000 ] - [ -0.0000953900000000, 0.0000475800000000, -0.0000272300000000 ] - [ 0.0003117100000000, 0.0001265600000000, 0.0000038100000000 ] - [ 0.0018581000000000, 0.0004719100000000, 0.0005568000000000 ] - [ -0.0000462600000000, 0.0013565200000000, 0.0011794100000000 ] - [ 0.0004547000000000, 0.0003034600000000, 0.0004438600000000 ] - [ 0.0008539800000000, -0.0000987700000000, 0.0007729500000000 ] - [ -0.0002973300000000, -0.0002648500000000, 0.0002656600000000 ] - [ -0.0729439400000000, 0.0895709100000000, 0.3084296000000000 ] - [ 0.0052962600000000, 0.0026500400000000, -0.0049206600000000 ] - [ -0.0021596000000000, 0.0053109500000000, -0.0021188000000000 ] - [ 0.0003601600000000, 0.0001736700000000, -0.0004239500000000 ] - [ -0.0001731800000000, 0.0001635500000000, 0.0007108900000000 ] - [ -0.0000124300000000, 0.0007618600000000, -0.0012576800000000 ] - [ 0.0002777500000000, 0.0001546200000000, -0.0006287100000000 ] - [ 0.0002005300000000, 0.0006641900000000, -0.0004810400000000 ] - [ -0.0004039200000000, 0.0001992000000000, 0.0002358100000000 ] - [ 0.0002299700000000, 0.0002032200000000, 0.0002563300000000 ] - [ -0.0001901900000000, 0.0000165600000000, 0.0001338100000000 ] - [ -0.0002866300000000, 0.0001549200000000, -0.0006157400000000 ] - [ -0.0008174600000000, -0.0003833100000000, 0.0003721500000000 ] - [ 0.0003133800000000, -0.0002239100000000, 0.0009046200000000 ] - [ -0.0002241600000000, -0.0002723200000000, -0.0007148900000000 ] - [ -0.0002075000000000, 0.0002471200000000, -0.0002398800000000 ] - [ -0.0001255700000000, 0.0002073000000000, -0.0001692900000000 ] - [ 0.0003151800000000, 0.0002199800000000, 0.0000641700000000 ] - [ -0.0005584600000000, -0.0003165800000000, -0.0006361200000000 ] - [ -0.0005437400000000, -0.0052219000000000, -0.0052322800000000 ] - [ -0.0052342600000000, -0.0019098100000000, -0.0020939600000000 ] - [ -0.0006956000000000, 0.0005659900000000, -0.0016283000000000 ] - [ 0.0000177500000000, -0.0009299300000000, -0.0012327500000000 ] - [ -0.0010302400000000, 0.0014363600000000, 0.0018408600000000 ] - [ -0.0003192800000000, 0.0005559500000000, -0.0001813200000000 ] - [ -0.0003130900000000, 0.0004327000000000, -0.0002230800000000 ] - [ 0.0021684800000000, 0.0015993100000000, -0.0001224500000000 ] - [ 0.0001140800000000, 0.0003147900000000, -0.0013972100000000 ] - [ 0.0145278100000000, 0.0097288100000000, 0.0025204700000000 ] - [ -0.0010384400000000, 0.0001039100000000, -0.0008482500000000 ] - [ 0.0005578200000000, 0.0001488300000000, -0.0006513900000000 ] - [ 0.0021690000000000, -0.0004032600000000, 0.0020397500000000 ] - [ -0.0003537200000000, 0.0020654100000000, 0.0026716800000000 ] - [ -0.0116262200000000, -0.0149853200000000, 0.0004140100000000 ] - [ -0.0000733900000000, 0.0009131300000000, 0.0013134500000000 ] - [ 0.0002149200000000, 0.0002026100000000, -0.0005506100000000 ] - [ -0.0006673800000000, 0.0007875300000000, 0.0006665700000000 ] - [ 0.0003850700000000, -0.0008168400000000, 0.0015163900000000 ] - [ -0.0001478500000000, 0.0004298300000000, -0.0009725600000000 ] - [ 0.0004739400000000, -0.0008827900000000, 0.0009824500000000 ] - [ 0.0000244900000000, 0.0005816500000000, -0.0006054400000000 ] - [ 0.0016882100000000, -0.0008018100000000, 0.0022600000000000 ] - [ -0.0003737900000000, -0.0001625200000000, 0.0004824000000000 ] - [ -0.0007908400000000, -0.0000148000000000, -0.0008011300000000 ] - [ -0.0000188700000000, -0.0007000100000000, -0.0006485300000000 ] - [ -0.0000163100000000, 0.0002589900000000, -0.0003985600000000 ] - [ 0.0003358200000000, -0.0004044900000000, 0.0003876500000000 ] - [ -0.0007618500000000, 0.0000128800000000, -0.0011972500000000 ] - [ -0.0060790100000000, 0.0054558100000000, -0.0248054100000000 ] - [ 0.0004968000000000, 0.0001217500000000, 0.0005680300000000 ] - [ -0.0000059500000000, -0.0000133200000000, -0.0006640500000000 ] - [ -0.0001437000000000, -0.0004517200000000, 0.0006332100000000 ] - [ -0.0000442700000000, -0.0008076100000000, -0.0024099500000000 ] - [ -0.0005753100000000, -0.0000593300000000, -0.0070702100000000 ] - [ -0.0005387200000000, -0.0008736500000000, 0.0012982100000000 ] - [ 0.0000439200000000, -0.0002215700000000, 0.0011561200000000 ] - [ 0.0009590800000000, 0.0012223700000000, -0.0078136300000000 ] - [ -0.0001267000000000, 0.0006726500000000, 0.0019176700000000 ] - [ 0.0006184500000000, -0.0000533100000000, 0.0012584000000000 ] - [ -0.0023492100000000, -0.0025987000000000, -0.0078395400000000 ]- atom: 71 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001727500000000, 0.0003014000000000, -0.0000132800000000 ] - [ 0.0003790200000000, -0.0000651400000000, -0.0002619000000000 ] - [ -0.0001419600000000, -0.0005483600000000, 0.0002829600000000 ] - [ 0.0000087000000000, -0.0000515700000000, 0.0001012200000000 ] - [ -0.0002136600000000, -0.0001702800000000, -0.0001514500000000 ] - [ 0.0003218400000000, -0.0004984700000000, 0.0001543000000000 ] - [ -0.0016967200000000, 0.0006337900000000, 0.0010031500000000 ] - [ -0.0021258100000000, 0.0004316000000000, -0.0005325300000000 ] - [ 0.0001887000000000, 0.0000133300000000, -0.0002907600000000 ] - [ -0.0000613400000000, 0.0006494000000000, -0.0001435400000000 ] - [ 0.0006357600000000, -0.0005540100000000, 0.0009800800000000 ] - [ -0.0001872200000000, -0.0000187900000000, -0.0000322300000000 ] - [ -0.0001250800000000, -0.0000977900000000, -0.0001272300000000 ] - [ 0.0014672400000000, -0.0002534800000000, 0.0014917400000000 ] - [ -0.0032950700000000, -0.0026669000000000, -0.0043053300000000 ] - [ -0.0002326200000000, -0.0002034100000000, 0.0001361000000000 ] - [ 0.0000658700000000, -0.0001206300000000, -0.0002048700000000 ] - [ 0.0001850700000000, -0.0001322200000000, -0.0003421000000000 ] - [ -0.0029745600000000, -0.0010048900000000, -0.0024133200000000 ] - [ -0.0001527700000000, 0.0000473600000000, 0.0000978200000000 ] - [ -0.0002098000000000, 0.0002445200000000, -0.0001472300000000 ] - [ 0.0128086700000000, -0.0014983400000000, -0.0010971400000000 ] - [ -0.0050661400000000, -0.0153760000000000, 0.0081286300000000 ] - [ -0.0001153000000000, 0.0001455100000000, -0.0002301000000000 ] - [ -0.0001387900000000, -0.0003270500000000, -0.0001132400000000 ] - [ 0.0001451300000000, -0.0003885400000000, -0.0002126400000000 ] - [ -0.0001565400000000, 0.0000140000000000, -0.0002314100000000 ] - [ 0.0025488100000000, 0.0024555600000000, -0.0024523400000000 ] - [ -0.0012511400000000, 0.0010062100000000, -0.0004522000000000 ] - [ 0.0000624700000000, -0.0000316500000000, -0.0001877300000000 ] - [ 0.0019626300000000, 0.0025517800000000, -0.0004722500000000 ] - [ 0.0000727000000000, 0.0000419800000000, -0.0000918900000000 ] - [ 0.0015898400000000, -0.0011305400000000, 0.0000431000000000 ] - [ 0.0000072000000000, 0.0002886200000000, 0.0000392100000000 ] - [ -0.0001337000000000, 0.0000859200000000, -0.0000782200000000 ] - [ 0.0007405600000000, -0.0016168000000000, 0.0008662500000000 ] - [ 0.0002822300000000, 0.0000267900000000, -0.0001170900000000 ] - [ 0.0002850000000000, -0.0000247100000000, -0.0020499800000000 ] - [ 0.0003612800000000, -0.0002914500000000, 0.0003537500000000 ] - [ -0.0000702200000000, -0.0003179600000000, 0.0001277900000000 ] - [ 0.0001912400000000, -0.0001671000000000, -0.0000229500000000 ] - [ 0.0000898000000000, 0.0000914700000000, 0.0003732300000000 ] - [ -0.0001251900000000, -0.0000942500000000, 0.0001941700000000 ] - [ -0.0013094300000000, -0.0007242200000000, -0.0008101000000000 ] - [ -0.0005585400000000, -0.0002063800000000, -0.0005790500000000 ] - [ -0.0007371000000000, -0.0001428100000000, -0.0001834000000000 ] - [ -0.0002604300000000, 0.0003163200000000, -0.0001113100000000 ] - [ -0.0003636100000000, -0.0003748600000000, 0.0002534400000000 ] - [ 0.0003002100000000, -0.0004593400000000, -0.0002064700000000 ] - [ -0.0027112000000000, -0.0054959000000000, -0.0047081400000000 ] - [ -0.0000117600000000, -0.0002901800000000, 0.0003760200000000 ] - [ -0.0008901600000000, -0.0018907400000000, 0.0002624400000000 ] - [ 0.0000337700000000, -0.0002983600000000, 0.0003314900000000 ] - [ 0.0026385400000000, 0.0014334300000000, 0.0032341600000000 ] - [ 0.0026358300000000, 0.0029915900000000, 0.0004807300000000 ] - [ 0.0008391100000000, 0.0004294700000000, 0.0000930000000000 ] - [ -0.0004634600000000, 0.0005034000000000, 0.0000321000000000 ] - [ -0.0004888000000000, 0.0004219000000000, -0.0008459600000000 ] - [ -0.0000863600000000, 0.0001326400000000, 0.0005095700000000 ] - [ 0.0087929000000000, 0.0183723600000000, -0.0117948300000000 ] - [ -0.0005975000000000, -0.0002437300000000, 0.0000278700000000 ] - [ 0.0016944800000000, -0.0010644700000000, 0.0024120900000000 ] - [ -0.0006753600000000, 0.0001707300000000, -0.0000251700000000 ] - [ 0.0006136100000000, 0.0003366900000000, -0.0003053700000000 ] - [ 0.0001293900000000, 0.0006214200000000, 0.0004309000000000 ] - [ -0.0013330400000000, 0.0006826900000000, -0.0016709400000000 ] - [ -0.0003894300000000, 0.0005132300000000, -0.0011391400000000 ] - [ 0.0027944100000000, 0.0010059800000000, -0.0013189400000000 ] - [ 0.0007938300000000, -0.0002842000000000, 0.0004287100000000 ] - [ 0.0004437000000000, -0.0003737600000000, 0.0002605000000000 ] - [ -0.1226342200000000, -0.0855658900000000, -0.0579729000000000 ] - [ 0.0003416800000000, -0.0000583200000000, 0.0004592700000000 ] - [ 0.0002167500000000, 0.0006731400000000, -0.0000157400000000 ] - [ 0.0022341600000000, 0.0017983500000000, -0.0000526100000000 ] - [ 0.0006295200000000, 0.0000229800000000, 0.0000501600000000 ] - [ 0.0047353800000000, 0.0010200000000000, 0.0147795700000000 ] - [ 0.0011310200000000, -0.0004840100000000, 0.0006472100000000 ] - [ 0.0004640700000000, 0.0006461000000000, 0.0004665400000000 ] - [ -0.0189325100000000, -0.0104840900000000, -0.0009487400000000 ] - [ -0.0002746000000000, -0.0002046600000000, 0.0000212600000000 ] - [ -0.0008059300000000, 0.0000586800000000, 0.0000084100000000 ] - [ -0.0001619300000000, -0.0003883000000000, -0.0001621500000000 ] - [ 0.0002257300000000, 0.0000663700000000, 0.0004240900000000 ] - [ -0.0010990400000000, 0.0014494000000000, -0.0005019600000000 ] - [ -0.0003043600000000, -0.0004418900000000, 0.0002471200000000 ] - [ -0.0016120300000000, -0.0007644400000000, 0.0016944200000000 ] - [ -0.0010952400000000, 0.0004660400000000, 0.0000053200000000 ] - [ -0.0000282600000000, 0.0001077400000000, 0.0001466200000000 ] - [ -0.0008687800000000, -0.0000181800000000, -0.0002653900000000 ] - [ -0.0003746100000000, -0.0002629700000000, -0.0007221800000000 ] - [ 0.0000836100000000, -0.0002027000000000, -0.0001101600000000 ] - [ 0.0026903300000000, -0.0008284300000000, 0.0004697000000000 ] - [ 0.0041170200000000, -0.0016920100000000, -0.0017300400000000 ] - [ 0.0013893400000000, 0.0004245200000000, -0.0003871400000000 ] - [ 0.0002090900000000, -0.0003318200000000, 0.0001730500000000 ] - [ -0.0018633700000000, -0.0019430900000000, 0.0009791100000000 ] - [ -0.0007498000000000, 0.0012232800000000, 0.0005883800000000 ] - [ 0.0000161800000000, 0.0011060700000000, 0.0039112100000000 ] - [ 0.0004697500000000, 0.0011231900000000, -0.0000940300000000 ] - [ -0.0006618600000000, -0.0014809600000000, -0.0010887900000000 ] - [ -0.0004623700000000, -0.0001845300000000, -0.0001424100000000 ] - [ 0.0020508400000000, 0.0013903200000000, -0.0014508500000000 ] - [ 0.0030604300000000, -0.0018091800000000, -0.0003733000000000 ] - [ -0.0039732200000000, 0.0028323200000000, 0.0027305300000000 ] - [ 0.0005999300000000, -0.0002027900000000, -0.0002132800000000 ] - [ 0.1179680600000000, 0.0971750500000000, 0.0551552700000000 ] - [ -0.0021659200000000, -0.0013904200000000, 0.0009249500000000 ] - [ -0.0011517900000000, -0.0003066000000000, -0.0006832700000000 ]- atom: 71 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004137700000000, -0.0002571000000000, 0.0000301300000000 ] - [ -0.0001374500000000, 0.0000209000000000, 0.0002483000000000 ] - [ -0.0000959200000000, 0.0005900300000000, -0.0002935300000000 ] - [ -0.0000535800000000, 0.0000344700000000, 0.0001402700000000 ] - [ 0.0001963800000000, -0.0000710000000000, 0.0001951500000000 ] - [ -0.0003419800000000, 0.0007429400000000, -0.0001972700000000 ] - [ 0.0017401800000000, -0.0006208600000000, -0.0007650200000000 ] - [ 0.0021544200000000, -0.0001923200000000, 0.0005825100000000 ] - [ -0.0001492200000000, -0.0000323600000000, 0.0000493900000000 ] - [ 0.0000224800000000, -0.0006315700000000, -0.0000961000000000 ] - [ -0.0006079200000000, 0.0003106200000000, -0.0010198300000000 ] - [ -0.0000544300000000, -0.0000230200000000, 0.0000506100000000 ] - [ 0.0003666800000000, 0.0000539800000000, 0.0001453100000000 ] - [ -0.0014436700000000, 0.0002698800000000, -0.0017419000000000 ] - [ 0.0032822800000000, 0.0028766400000000, 0.0042399700000000 ] - [ 0.0002507900000000, -0.0000380300000000, -0.0000932000000000 ] - [ -0.0001069100000000, 0.0001016800000000, -0.0000376600000000 ] - [ -0.0002052900000000, -0.0001093800000000, 0.0003011200000000 ] - [ 0.0029338900000000, 0.0010231200000000, 0.0026489700000000 ] - [ 0.0001981100000000, -0.0000630800000000, 0.0001434500000000 ] - [ 0.0001941000000000, -0.0000044400000000, 0.0001928900000000 ] - [ -0.0124959600000000, 0.0012137900000000, 0.0008491500000000 ] - [ 0.0052047900000000, 0.0151899700000000, -0.0081177600000000 ] - [ 0.0002599500000000, 0.0001226100000000, 0.0001180600000000 ] - [ -0.0000062000000000, 0.0000580500000000, 0.0000006400000000 ] - [ 0.0001230900000000, 0.0002778600000000, 0.0003581900000000 ] - [ 0.0000434200000000, -0.0001586200000000, -0.0000379900000000 ] - [ -0.0026529000000000, -0.0023038300000000, 0.0027330800000000 ] - [ 0.0009828200000000, -0.0008946800000000, 0.0005958500000000 ] - [ 0.0000496900000000, 0.0001754600000000, -0.0000812900000000 ] - [ -0.0022410800000000, -0.0026594900000000, 0.0003238400000000 ] - [ 0.0001982700000000, 0.0000685200000000, -0.0000534300000000 ] - [ -0.0015057400000000, 0.0009821200000000, 0.0002146300000000 ] - [ -0.0001506800000000, -0.0000186700000000, 0.0000721800000000 ] - [ -0.0000108200000000, 0.0001840100000000, -0.0000337600000000 ] - [ -0.0008862200000000, 0.0013428200000000, -0.0007555700000000 ] - [ -0.0001394100000000, 0.0002423900000000, 0.0002300600000000 ] - [ -0.0005608900000000, 0.0001344300000000, 0.0019133300000000 ] - [ -0.0002483800000000, 0.0004391100000000, -0.0000838700000000 ] - [ 0.0001828200000000, 0.0001748800000000, -0.0003980300000000 ] - [ 0.0000801100000000, 0.0000536400000000, -0.0001198900000000 ] - [ -0.0001994600000000, -0.0002344000000000, -0.0001088800000000 ] - [ 0.0003931900000000, 0.0002065300000000, -0.0000497300000000 ] - [ 0.0010441000000000, 0.0006082700000000, 0.0009451900000000 ] - [ 0.0004471100000000, 0.0003529100000000, 0.0003126500000000 ] - [ 0.0008833500000000, -0.0001223500000000, 0.0000729600000000 ] - [ 0.0000194800000000, -0.0003601600000000, 0.0000925900000000 ] - [ 0.0001216500000000, 0.0004176400000000, -0.0002359600000000 ] - [ 0.0002924000000000, 0.0000073900000000, -0.0001040900000000 ] - [ 0.0023605900000000, 0.0061413100000000, 0.0042860200000000 ] - [ -0.0004442100000000, -0.0000180400000000, 0.0002234500000000 ] - [ 0.0013362600000000, 0.0021986300000000, 0.0003426700000000 ] - [ -0.0003461000000000, -0.0002993800000000, 0.0001167600000000 ] - [ -0.0021777500000000, -0.0017238400000000, -0.0038121100000000 ] - [ -0.0020182000000000, -0.0025189500000000, -0.0007853100000000 ] - [ -0.0005275900000000, 0.0001701800000000, 0.0003563100000000 ] - [ 0.0000176100000000, -0.0001930100000000, -0.0006325900000000 ] - [ 0.0010953500000000, 0.0000298100000000, 0.0011639300000000 ] - [ -0.0005151000000000, -0.0005796000000000, -0.0001952600000000 ] - [ -0.0094279700000000, -0.0181451600000000, 0.0116594300000000 ] - [ 0.0000012000000000, -0.0002042800000000, -0.0003411200000000 ] - [ -0.0012548000000000, 0.0007653600000000, -0.0018330100000000 ] - [ 0.0003606300000000, -0.0007704300000000, -0.0004257200000000 ] - [ -0.0009278100000000, 0.0002602800000000, 0.0007567900000000 ] - [ -0.0005808100000000, -0.0003089300000000, 0.0001675400000000 ] - [ 0.0016409800000000, -0.0000971400000000, 0.0012189300000000 ] - [ -0.0000561800000000, -0.0008278700000000, 0.0005438600000000 ] - [ -0.0023087700000000, -0.0006740300000000, 0.0007086200000000 ] - [ -0.0004849000000000, -0.0003176700000000, 0.0000173600000000 ] - [ -0.0010497400000000, 0.0008188000000000, 0.0000502000000000 ] - [ 0.1210718400000000, 0.0827889400000000, 0.0549522900000000 ] - [ -0.0004084200000000, -0.0001102000000000, 0.0001499700000000 ] - [ -0.0001487500000000, -0.0005074700000000, 0.0006295500000000 ] - [ -0.0024051500000000, -0.0011891100000000, -0.0000138000000000 ] - [ -0.0000177400000000, 0.0000457200000000, 0.0001171700000000 ] - [ -0.0040145400000000, -0.0010200000000000, -0.0147027100000000 ] - [ -0.0009664300000000, -0.0001291300000000, -0.0007156900000000 ] - [ -0.0010785600000000, -0.0007144600000000, -0.0003000900000000 ] - [ 0.0188993600000000, 0.0110356700000000, 0.0010867800000000 ] - [ 0.0001023600000000, -0.0004033900000000, 0.0000440100000000 ] - [ 0.0001976300000000, 0.0000174800000000, -0.0001662300000000 ] - [ 0.0002287100000000, 0.0002194400000000, -0.0004486800000000 ] - [ -0.0001579700000000, -0.0002343600000000, 0.0001882300000000 ] - [ 0.0011658300000000, -0.0012808700000000, -0.0001108200000000 ] - [ 0.0002345900000000, 0.0002763500000000, -0.0008621700000000 ] - [ 0.0017884000000000, 0.0001553100000000, -0.0016246500000000 ] - [ 0.0004834400000000, -0.0005397400000000, -0.0001727600000000 ] - [ -0.0005827300000000, -0.0000435700000000, 0.0000242500000000 ] - [ 0.0007000000000000, 0.0006329600000000, 0.0003310200000000 ] - [ 0.0009823700000000, 0.0003319100000000, 0.0005576000000000 ] - [ -0.0002500600000000, -0.0004114100000000, 0.0000410900000000 ] - [ -0.0025271400000000, 0.0014458100000000, -0.0005365900000000 ] - [ -0.0035400900000000, 0.0016265000000000, 0.0018987900000000 ] - [ -0.0014658200000000, -0.0002631000000000, 0.0010058700000000 ] - [ 0.0003916700000000, -0.0001158700000000, 0.0001413100000000 ] - [ 0.0021734100000000, 0.0013430500000000, -0.0014303800000000 ] - [ 0.0007752200000000, -0.0012119400000000, -0.0005908800000000 ] - [ -0.0000217600000000, -0.0011066500000000, -0.0039189600000000 ] - [ -0.0004780900000000, -0.0011276100000000, 0.0000946700000000 ] - [ 0.0006655600000000, 0.0014773900000000, 0.0010893600000000 ] - [ 0.0003303400000000, 0.0000515200000000, 0.0002758100000000 ] - [ -0.0019151800000000, -0.0015255000000000, 0.0013079800000000 ] - [ -0.0032098500000000, 0.0019393900000000, 0.0002456800000000 ] - [ 0.0041183400000000, -0.0027072000000000, -0.0026069600000000 ] - [ -0.0007327700000000, 0.0000675500000000, 0.0000751500000000 ] - [ -0.1161901500000000, -0.0937014400000000, -0.0530477800000000 ] - [ 0.0020370900000000, 0.0015268800000000, -0.0007911700000000 ] - [ 0.0012871400000000, 0.0001738300000000, 0.0008212700000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002057200000000, 0.0007236100000000, -0.0001662800000000 ] - [ 0.0000934100000000, -0.0002700500000000, -0.0011764600000000 ] - [ -0.0009231000000000, -0.0018413100000000, -0.0007493800000000 ] - [ 0.0001701300000000, -0.0002864700000000, 0.0001540100000000 ] - [ -0.0001885100000000, -0.0001629900000000, -0.0001966800000000 ] - [ 0.0002690900000000, -0.0006422800000000, 0.0002487900000000 ] - [ -0.0018198000000000, 0.0008405200000000, 0.0010630200000000 ] - [ -0.0004023200000000, 0.0010001800000000, 0.0000807700000000 ] - [ 0.0001158300000000, 0.0002080700000000, -0.0003556000000000 ] - [ 0.0006410400000000, 0.0002100500000000, 0.0005998900000000 ] - [ 0.0001660500000000, 0.0001136900000000, 0.0003710400000000 ] - [ -0.0001554900000000, 0.0000723500000000, -0.0000772300000000 ] - [ 0.0000487300000000, -0.0001770500000000, -0.0000273000000000 ] - [ 0.0047878400000000, -0.0035689700000000, 0.0027092900000000 ] - [ -0.0015223200000000, -0.0007586400000000, -0.0020954600000000 ] - [ 0.0002268100000000, -0.0007093900000000, -0.0005718400000000 ] - [ 0.0003467500000000, -0.0004278300000000, -0.0004550400000000 ] - [ -0.0003672200000000, -0.0006018800000000, -0.0000824100000000 ] - [ -0.0033589300000000, -0.0010840100000000, -0.0036448400000000 ] - [ 0.0005033500000000, 0.0004882600000000, -0.0000724300000000 ] - [ 0.0002395300000000, -0.0001564800000000, 0.0003914900000000 ] - [ 0.0095078900000000, -0.0126535200000000, -0.0133485900000000 ] - [ -0.0134082800000000, -0.0112051000000000, 0.0101528500000000 ] - [ 0.0000455100000000, -0.0000094200000000, -0.0000853200000000 ] - [ 0.0006277400000000, -0.0015359100000000, -0.0008822900000000 ] - [ -0.0000337000000000, -0.0004988200000000, -0.0002102100000000 ] - [ -0.0000219400000000, -0.0000235200000000, -0.0003519200000000 ] - [ 0.0031803700000000, 0.0032797000000000, -0.0026923500000000 ] - [ -0.0008865200000000, 0.0005903600000000, -0.0004332400000000 ] - [ 0.0002899900000000, -0.0003277900000000, -0.0002767900000000 ] - [ 0.0044064100000000, 0.0035161600000000, -0.0035026600000000 ] - [ 0.0003010700000000, -0.0005668000000000, -0.0004944000000000 ] - [ -0.0041041600000000, -0.0013156100000000, -0.0032223700000000 ] - [ 0.0000856000000000, 0.0003066400000000, -0.0003452200000000 ] - [ -0.0001118200000000, 0.0002910700000000, -0.0001534500000000 ] - [ 0.0009181400000000, -0.0026445200000000, 0.0014011900000000 ] - [ 0.0002961100000000, -0.0001402000000000, -0.0000973200000000 ] - [ -0.0002426000000000, 0.0008715800000000, -0.0005296100000000 ] - [ 0.0004990300000000, -0.0015804900000000, 0.0004617300000000 ] - [ 0.0000469500000000, -0.0002799800000000, 0.0000399800000000 ] - [ 0.0006153100000000, -0.0005030700000000, 0.0002941400000000 ] - [ -0.0005506600000000, 0.0004971700000000, 0.0012966300000000 ] - [ -0.0002227600000000, -0.0001952000000000, 0.0001816700000000 ] - [ -0.0006943600000000, -0.0000963900000000, 0.0006042000000000 ] - [ -0.0001147200000000, 0.0004065600000000, 0.0000562300000000 ] - [ -0.0000334200000000, 0.0007751100000000, 0.0003891900000000 ] - [ -0.0005947700000000, 0.0008149300000000, -0.0003808700000000 ] - [ -0.0003697400000000, -0.0006447500000000, 0.0002573500000000 ] - [ -0.0005138100000000, -0.0012923000000000, 0.0008586900000000 ] - [ -0.0145365500000000, 0.0226412300000000, 0.0168421800000000 ] - [ -0.0014884200000000, 0.0007750100000000, 0.0006598800000000 ] - [ -0.0024235700000000, -0.0026210100000000, 0.0020111500000000 ] - [ -0.0003854100000000, 0.0001971400000000, 0.0001022100000000 ] - [ 0.0012949800000000, 0.0000415400000000, 0.0013762200000000 ] - [ 0.0035509300000000, 0.0038179500000000, 0.0007196600000000 ] - [ 0.0006322500000000, 0.0006474800000000, 0.0003671900000000 ] - [ 0.0000624800000000, 0.0014688500000000, -0.0001276700000000 ] - [ -0.0029317100000000, 0.0026820200000000, -0.0013808600000000 ] - [ -0.0003415200000000, 0.0003496100000000, 0.0006304100000000 ] - [ 0.0161668900000000, 0.0196208400000000, -0.0149962100000000 ] - [ -0.0006003400000000, 0.0004201000000000, -0.0002736500000000 ] - [ -0.0001069800000000, -0.0010517600000000, -0.0001381700000000 ] - [ -0.0004458300000000, 0.0012974000000000, 0.0007812100000000 ] - [ 0.0007203900000000, -0.0000316500000000, -0.0003476100000000 ] - [ -0.0000771600000000, 0.0010474700000000, 0.0003349300000000 ] - [ 0.0004714500000000, 0.0029436200000000, -0.0019645800000000 ] - [ -0.0002317600000000, 0.0005777600000000, -0.0011848900000000 ] - [ 0.0009062400000000, -0.0022002400000000, -0.0024209700000000 ] - [ 0.0000458700000000, -0.0008354600000000, 0.0002189600000000 ] - [ -0.0011725900000000, -0.0005758400000000, -0.0008419100000000 ] - [ -0.0864208700000000, -0.1614230600000000, -0.0834563100000000 ] - [ -0.0000594300000000, -0.0000097600000000, 0.0004418700000000 ] - [ -0.0005553100000000, 0.0018622300000000, -0.0000378800000000 ] - [ 0.0028807300000000, 0.0022881600000000, -0.0001221500000000 ] - [ 0.0000399900000000, -0.0001538500000000, 0.0006849900000000 ] - [ -0.0043388200000000, -0.0191050000000000, 0.0059878400000000 ] - [ 0.0001422700000000, -0.0008280500000000, 0.0003487300000000 ] - [ 0.0001577200000000, 0.0010117800000000, 0.0001424700000000 ] - [ -0.0060029400000000, 0.0096401500000000, 0.0149350000000000 ] - [ -0.0006834100000000, 0.0005390200000000, 0.0000683000000000 ] - [ 0.0003074500000000, 0.0023535500000000, 0.0028811500000000 ] - [ -0.0002678700000000, -0.0007016600000000, 0.0003896100000000 ] - [ 0.0001860200000000, 0.0000732600000000, 0.0005372000000000 ] - [ -0.0013283000000000, 0.0035596600000000, -0.0004868100000000 ] - [ 0.0003273500000000, -0.0011992500000000, 0.0011567800000000 ] - [ -0.0011831900000000, -0.0017688200000000, 0.0018583300000000 ] - [ -0.0006494300000000, 0.0025705700000000, -0.0015471200000000 ] - [ -0.0001881100000000, 0.0002003500000000, 0.0001860600000000 ] - [ -0.0005548300000000, 0.0016251000000000, -0.0006025900000000 ] - [ 0.0003565500000000, -0.0007506600000000, -0.0005526800000000 ] - [ -0.0001836400000000, 0.0000437700000000, 0.0000262200000000 ] - [ 0.0015483700000000, -0.0008143700000000, -0.0001256400000000 ] - [ 0.0013181100000000, -0.0017328400000000, -0.0011830200000000 ] - [ 0.0003084600000000, -0.0007125700000000, 0.0000036400000000 ] - [ 0.0001888100000000, -0.0007334800000000, 0.0003337800000000 ] - [ -0.0021116700000000, -0.0030490300000000, 0.0015584900000000 ] - [ 0.0048202900000000, 0.0023853900000000, -0.0006327100000000 ] - [ -0.0002317100000000, 0.0027554800000000, 0.0044105200000000 ] - [ 0.0011164200000000, -0.0012231700000000, 0.0014528500000000 ] - [ -0.0010035400000000, -0.0014418500000000, -0.0018897100000000 ] - [ 0.0000677000000000, -0.0006252600000000, -0.0004324600000000 ] - [ 0.0010579000000000, 0.0028278000000000, -0.0024624300000000 ] - [ 0.0016949500000000, -0.0074659800000000, 0.0019570200000000 ] - [ -0.0007062500000000, 0.0023761900000000, 0.0011478200000000 ] - [ 0.0017297300000000, -0.0017457800000000, -0.0018278900000000 ] - [ 0.0930625600000000, 0.1512270800000000, 0.0681492100000000 ] - [ -0.0017512400000000, -0.0023832000000000, 0.0018118200000000 ] - [ 0.0002174700000000, 0.0005107600000000, -0.0004123300000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004500200000000, -0.0006854600000000, 0.0001858300000000 ] - [ 0.0001471400000000, 0.0002314700000000, 0.0011505000000000 ] - [ 0.0006822700000000, 0.0018912600000000, 0.0007322200000000 ] - [ -0.0002128600000000, 0.0002706600000000, 0.0000876300000000 ] - [ 0.0001703500000000, -0.0000794600000000, 0.0002384300000000 ] - [ -0.0002861700000000, 0.0008858400000000, -0.0002945400000000 ] - [ 0.0018559700000000, -0.0008228200000000, -0.0008221000000000 ] - [ 0.0004030500000000, -0.0007637400000000, -0.0000419600000000 ] - [ -0.0000773700000000, -0.0002297400000000, 0.0001125600000000 ] - [ -0.0006902200000000, -0.0001959800000000, -0.0008411200000000 ] - [ -0.0001470200000000, -0.0003488200000000, -0.0004257300000000 ] - [ -0.0000855900000000, -0.0001170800000000, 0.0000943900000000 ] - [ 0.0001942200000000, 0.0001390300000000, 0.0000464700000000 ] - [ -0.0047236900000000, 0.0035801200000000, -0.0029333900000000 ] - [ 0.0015550300000000, 0.0010217100000000, 0.0020813200000000 ] - [ -0.0002079600000000, 0.0004731700000000, 0.0006162100000000 ] - [ -0.0003917000000000, 0.0004131800000000, 0.0002139300000000 ] - [ 0.0003506700000000, 0.0003613900000000, 0.0000414800000000 ] - [ 0.0033065000000000, 0.0011009100000000, 0.0038989200000000 ] - [ -0.0004627400000000, -0.0005081100000000, 0.0003154600000000 ] - [ -0.0002582700000000, 0.0003997300000000, -0.0003494300000000 ] - [ -0.0093692700000000, 0.0127245400000000, 0.0133754200000000 ] - [ 0.0135975400000000, 0.0109429700000000, -0.0101431000000000 ] - [ 0.0000980700000000, 0.0002833600000000, -0.0000284000000000 ] - [ -0.0007726500000000, 0.0012691400000000, 0.0007709000000000 ] - [ 0.0003052500000000, 0.0003869500000000, 0.0003551100000000 ] - [ -0.0000914700000000, -0.0001182500000000, 0.0000804400000000 ] - [ -0.0032793200000000, -0.0031436400000000, 0.0029614900000000 ] - [ 0.0006224900000000, -0.0004836700000000, 0.0005792500000000 ] - [ -0.0001777800000000, 0.0004744000000000, 0.0000091000000000 ] - [ -0.0046627300000000, -0.0036050500000000, 0.0033696100000000 ] - [ -0.0000330800000000, 0.0006833200000000, 0.0003525900000000 ] - [ 0.0042301700000000, 0.0011674000000000, 0.0034815100000000 ] - [ -0.0002322500000000, -0.0000400700000000, 0.0004594100000000 ] - [ -0.0000319400000000, -0.0000223400000000, 0.0000413700000000 ] - [ -0.0010712400000000, 0.0023754400000000, -0.0012931200000000 ] - [ -0.0001529200000000, 0.0004140100000000, 0.0002105200000000 ] - [ -0.0000328100000000, -0.0007647200000000, 0.0003686600000000 ] - [ -0.0003901400000000, 0.0017226700000000, -0.0001959400000000 ] - [ 0.0000657500000000, 0.0001360400000000, -0.0003101200000000 ] - [ -0.0003491300000000, 0.0003919000000000, -0.0004405500000000 ] - [ 0.0004373700000000, -0.0006296800000000, -0.0010277400000000 ] - [ 0.0004948000000000, 0.0003095500000000, -0.0000386200000000 ] - [ 0.0004267800000000, -0.0000068600000000, -0.0004437600000000 ] - [ 0.0000018600000000, -0.0002662600000000, -0.0003287800000000 ] - [ 0.0001776800000000, -0.0010499000000000, -0.0005030600000000 ] - [ 0.0003555200000000, -0.0008627900000000, 0.0003632200000000 ] - [ 0.0001289100000000, 0.0006909300000000, -0.0002413800000000 ] - [ 0.0011160500000000, 0.0008526600000000, -0.0011751200000000 ] - [ 0.0145364100000000, -0.0224005600000000, -0.0175680800000000 ] - [ 0.0010467900000000, -0.0010901700000000, -0.0000626400000000 ] - [ 0.0028681000000000, 0.0029249700000000, -0.0014204200000000 ] - [ 0.0000731300000000, -0.0008008400000000, 0.0003443300000000 ] - [ -0.0008618100000000, -0.0003694900000000, -0.0019991600000000 ] - [ -0.0029153600000000, -0.0033462200000000, -0.0010190900000000 ] - [ -0.0003194400000000, -0.0000536500000000, 0.0000836700000000 ] - [ -0.0005134200000000, -0.0011598700000000, -0.0004734300000000 ] - [ 0.0035207900000000, -0.0022349500000000, 0.0016841900000000 ] - [ -0.0002557900000000, -0.0008039800000000, -0.0003166000000000 ] - [ -0.0170143800000000, -0.0194566000000000, 0.0149753300000000 ] - [ 0.0000013000000000, -0.0008738900000000, -0.0000391800000000 ] - [ 0.0005699600000000, 0.0007365200000000, 0.0007513600000000 ] - [ 0.0001389900000000, -0.0018988100000000, -0.0012230000000000 ] - [ -0.0010376100000000, 0.0006346300000000, 0.0007990600000000 ] - [ -0.0003681200000000, -0.0007369200000000, 0.0002662400000000 ] - [ -0.0001446900000000, -0.0023429600000000, 0.0015192600000000 ] - [ -0.0002172500000000, -0.0008907200000000, 0.0005924700000000 ] - [ -0.0004969300000000, 0.0025004300000000, 0.0018258700000000 ] - [ 0.0002656800000000, 0.0002440300000000, 0.0002321600000000 ] - [ 0.0005771500000000, 0.0010331500000000, 0.0011562500000000 ] - [ 0.0819707000000000, 0.1577543200000000, 0.0787183500000000 ] - [ -0.0000066700000000, -0.0001597900000000, 0.0001705100000000 ] - [ 0.0006230300000000, -0.0017006400000000, 0.0006528200000000 ] - [ -0.0030538400000000, -0.0016783500000000, 0.0000534900000000 ] - [ 0.0005741400000000, 0.0002208100000000, -0.0005180600000000 ] - [ 0.0047919900000000, 0.0187289400000000, -0.0061780700000000 ] - [ 0.0000214700000000, 0.0002178900000000, -0.0004191100000000 ] - [ -0.0007714400000000, -0.0010827100000000, 0.0000227300000000 ] - [ 0.0061598600000000, -0.0088196200000000, -0.0145491600000000 ] - [ 0.0005187400000000, -0.0011535500000000, -0.0000027200000000 ] - [ -0.0009240900000000, -0.0022889600000000, -0.0030535900000000 ] - [ 0.0003386900000000, 0.0005409800000000, -0.0010049600000000 ] - [ -0.0001177900000000, -0.0002366800000000, 0.0000765700000000 ] - [ 0.0014009400000000, -0.0034038300000000, -0.0001271800000000 ] - [ -0.0003888100000000, 0.0010233900000000, -0.0017616300000000 ] - [ 0.0013509700000000, 0.0011588800000000, -0.0017733600000000 ] - [ 0.0000373700000000, -0.0026442500000000, 0.0013860600000000 ] - [ -0.0004222400000000, -0.0001344100000000, -0.0000167700000000 ] - [ 0.0003966100000000, -0.0010126900000000, 0.0006756200000000 ] - [ 0.0002608300000000, 0.0008162600000000, 0.0003989300000000 ] - [ 0.0000187900000000, -0.0006599100000000, -0.0000949100000000 ] - [ -0.0013848100000000, 0.0014239100000000, 0.0000542500000000 ] - [ -0.0006938600000000, 0.0016701500000000, 0.0013514100000000 ] - [ -0.0003798900000000, 0.0008807800000000, 0.0006097900000000 ] - [ 0.0004119500000000, 0.0002909900000000, -0.0000173700000000 ] - [ 0.0024163500000000, 0.0024573400000000, -0.0019990800000000 ] - [ -0.0048251800000000, -0.0024123800000000, 0.0006291900000000 ] - [ 0.0002294400000000, -0.0027723900000000, -0.0044154800000000 ] - [ -0.0011170900000000, 0.0012421200000000, -0.0014516600000000 ] - [ 0.0010000100000000, 0.0014550700000000, 0.0018869800000000 ] - [ -0.0002028700000000, 0.0004927600000000, 0.0005676200000000 ] - [ -0.0009310800000000, -0.0029581900000000, 0.0023088700000000 ] - [ -0.0018379200000000, 0.0076263900000000, -0.0020991900000000 ] - [ 0.0008337900000000, -0.0022332300000000, -0.0010076500000000 ] - [ -0.0018685400000000, 0.0016150000000000, 0.0016968900000000 ] - [ -0.0884052500000000, -0.1466026200000000, -0.0644581200000000 ] - [ 0.0016229200000000, 0.0025220400000000, -0.0016799000000000 ] - [ -0.0000838800000000, -0.0006473100000000, 0.0005432900000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002301900000000, 0.0000705100000000, 0.0000437500000000 ] - [ 0.0003841600000000, 0.0001405500000000, -0.0010373600000000 ] - [ 0.0001503200000000, 0.0002449800000000, 0.0008279500000000 ] - [ -0.0001795500000000, 0.0000548700000000, -0.0000086000000000 ] - [ -0.0000618100000000, -0.0001763700000000, -0.0001535700000000 ] - [ -0.0000509500000000, 0.0002528500000000, -0.0001542500000000 ] - [ -0.0001075300000000, 0.0001446100000000, 0.0004274500000000 ] - [ -0.0016171700000000, 0.0000882000000000, 0.0006587000000000 ] - [ -0.0005266200000000, -0.0003864300000000, -0.0006789900000000 ] - [ -0.0000093100000000, 0.0001958500000000, 0.0004866400000000 ] - [ 0.0008314400000000, 0.0003184100000000, -0.0007357500000000 ] - [ -0.0000963200000000, -0.0001556300000000, -0.0000829500000000 ] - [ 0.0000136500000000, 0.0000181600000000, -0.0000294500000000 ] - [ 0.0031257700000000, -0.0014914200000000, 0.0022308500000000 ] - [ -0.0027157800000000, -0.0031810400000000, -0.0045711000000000 ] - [ 0.0003575700000000, -0.0006297300000000, -0.0008680100000000 ] - [ 0.0002930400000000, -0.0002070000000000, -0.0003886200000000 ] - [ -0.0003280000000000, -0.0004006400000000, 0.0001002200000000 ] - [ 0.0007127900000000, -0.0007633300000000, 0.0023692300000000 ] - [ 0.0004504700000000, 0.0003576800000000, -0.0001543100000000 ] - [ 0.0003221800000000, -0.0001412400000000, 0.0005060300000000 ] - [ 0.0061553700000000, -0.0138201000000000, -0.0035969100000000 ] - [ 0.0017865400000000, 0.0021638000000000, 0.0109872100000000 ] - [ 0.0000353000000000, 0.0001280200000000, -0.0002191700000000 ] - [ 0.0001280200000000, -0.0004758100000000, -0.0002593900000000 ] - [ -0.0001723700000000, -0.0000068000000000, 0.0003706200000000 ] - [ -0.0001382600000000, -0.0000463300000000, -0.0003466300000000 ] - [ 0.0004903800000000, 0.0020614000000000, -0.0024603300000000 ] - [ -0.0010682600000000, 0.0008880600000000, -0.0005690300000000 ] - [ 0.0000511200000000, 0.0000982100000000, 0.0000736500000000 ] - [ 0.0023576900000000, 0.0003503300000000, -0.0020287400000000 ] - [ 0.0003114700000000, -0.0003109700000000, -0.0003307700000000 ] - [ -0.0024116100000000, -0.0010156100000000, -0.0023816400000000 ] - [ -0.0000998700000000, 0.0000510600000000, -0.0003249300000000 ] - [ -0.0001044300000000, 0.0001374200000000, -0.0001235000000000 ] - [ 0.0001571800000000, -0.0003121500000000, 0.0003469100000000 ] - [ 0.0000689900000000, 0.0002083300000000, -0.0001084200000000 ] - [ -0.0008739400000000, 0.0002572500000000, -0.0017897100000000 ] - [ 0.0000188100000000, -0.0006800500000000, 0.0000716400000000 ] - [ 0.0001369600000000, 0.0001051100000000, -0.0004138900000000 ] - [ 0.0001741400000000, -0.0000951500000000, -0.0000477700000000 ] - [ 0.0001130300000000, 0.0008530900000000, -0.0002822800000000 ] - [ 0.0002901600000000, 0.0001186800000000, -0.0001311100000000 ] - [ 0.0003810400000000, 0.0004790600000000, 0.0012548400000000 ] - [ -0.0000281600000000, 0.0001537800000000, 0.0001262800000000 ] - [ -0.0001185000000000, 0.0002898700000000, 0.0003020800000000 ] - [ -0.0006831100000000, 0.0008743400000000, -0.0005848300000000 ] - [ -0.0000750300000000, -0.0001114800000000, 0.0000399700000000 ] - [ -0.0003145000000000, -0.0005599200000000, 0.0007720200000000 ] - [ -0.0101678000000000, 0.0183738800000000, 0.0078566700000000 ] - [ -0.0012335200000000, 0.0005777600000000, 0.0003905700000000 ] - [ -0.0015489000000000, 0.0001104400000000, 0.0018145500000000 ] - [ -0.0000275200000000, -0.0004003200000000, 0.0000099800000000 ] - [ 0.0022340200000000, 0.0017319600000000, 0.0034711500000000 ] - [ -0.0001195400000000, 0.0000718200000000, -0.0011373400000000 ] - [ 0.0003104500000000, 0.0004558500000000, 0.0002417900000000 ] - [ 0.0001902000000000, 0.0003463000000000, -0.0007119300000000 ] - [ -0.0013085000000000, 0.0010368900000000, -0.0013903200000000 ] - [ -0.0003465200000000, 0.0001472400000000, 0.0006427000000000 ] - [ -0.0072154000000000, -0.0086643000000000, -0.0008749200000000 ] - [ -0.0001684700000000, -0.0003677500000000, 0.0000901300000000 ] - [ 0.0022216100000000, -0.0009280400000000, 0.0013698800000000 ] - [ -0.0002990500000000, 0.0003460300000000, 0.0006080700000000 ] - [ -0.0004752400000000, 0.0000358900000000, 0.0005036500000000 ] - [ -0.0001925100000000, 0.0003130100000000, 0.0003904000000000 ] - [ -0.0003563200000000, -0.0013654600000000, -0.0014908200000000 ] - [ -0.0002553200000000, -0.0004763400000000, 0.0002313500000000 ] - [ -0.0022805100000000, -0.0012304200000000, -0.0015695900000000 ] - [ -0.0001232800000000, -0.0002979100000000, 0.0002154000000000 ] - [ -0.0007283900000000, 0.0000107500000000, -0.0008534200000000 ] - [ -0.0574525100000000, -0.0820749900000000, -0.1094965500000000 ] - [ -0.0001872900000000, 0.0000492400000000, 0.0007159600000000 ] - [ -0.0002882500000000, 0.0004301300000000, 0.0001888100000000 ] - [ -0.0007004100000000, -0.0001218200000000, -0.0005339800000000 ] - [ 0.0000393400000000, -0.0000638100000000, 0.0009292000000000 ] - [ 0.0166486000000000, 0.0108213000000000, 0.0092330500000000 ] - [ 0.0005494300000000, -0.0006667100000000, 0.0007363700000000 ] - [ -0.0006665200000000, -0.0002115100000000, -0.0004366700000000 ] - [ 0.0046871000000000, 0.0166251800000000, 0.0044430400000000 ] - [ -0.0003537600000000, -0.0000370600000000, 0.0003556600000000 ] - [ 0.0001208600000000, 0.0015281600000000, 0.0018964600000000 ] - [ -0.0001088700000000, -0.0007812000000000, 0.0005233500000000 ] - [ 0.0001517000000000, 0.0001443100000000, 0.0005045100000000 ] - [ 0.0002295200000000, -0.0000961600000000, -0.0012229800000000 ] - [ 0.0005182300000000, -0.0015405900000000, 0.0014262300000000 ] - [ -0.0009214200000000, -0.0010145200000000, 0.0038452600000000 ] - [ 0.0000390800000000, 0.0011020200000000, -0.0012031800000000 ] - [ -0.0002994700000000, -0.0000719800000000, 0.0004377000000000 ] - [ -0.0000358600000000, 0.0001557800000000, -0.0006422700000000 ] - [ 0.0001540600000000, -0.0002887800000000, 0.0012320300000000 ] - [ -0.0001998400000000, -0.0003031500000000, 0.0002403000000000 ] - [ -0.0002609800000000, -0.0000369100000000, -0.0008223100000000 ] - [ 0.0010131500000000, -0.0004910700000000, -0.0013732300000000 ] - [ 0.0006622500000000, 0.0003877400000000, -0.0004490600000000 ] - [ 0.0005229700000000, -0.0000872600000000, 0.0008606500000000 ] - [ 0.0000556500000000, -0.0016235900000000, 0.0020141200000000 ] - [ 0.0036395500000000, 0.0001831800000000, -0.0001819400000000 ] - [ 0.0008861200000000, 0.0008681100000000, -0.0017130300000000 ] - [ -0.0006447900000000, 0.0009773900000000, 0.0007672300000000 ] - [ -0.0004815200000000, -0.0012508400000000, -0.0001084900000000 ] - [ -0.0000494900000000, -0.0003143500000000, -0.0004387200000000 ] - [ 0.0012581000000000, 0.0020379000000000, -0.0048908500000000 ] - [ -0.0013008100000000, -0.0010335300000000, 0.0032378800000000 ] - [ -0.0000168200000000, 0.0001359400000000, 0.0019820900000000 ] - [ 0.0009188900000000, -0.0005636000000000, -0.0018796200000000 ] - [ 0.0455751900000000, 0.0611434100000000, 0.0837001100000000 ] - [ 0.0006639000000000, 0.0001935900000000, 0.0003852900000000 ] - [ -0.0002213100000000, -0.0000744900000000, -0.0012044300000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000086200000000, -0.0000257600000000, -0.0000271700000000 ] - [ -0.0001464500000000, -0.0001868400000000, 0.0010219800000000 ] - [ -0.0003921800000000, -0.0001962200000000, -0.0008474900000000 ] - [ 0.0001354900000000, -0.0000720900000000, 0.0002491400000000 ] - [ 0.0000452200000000, -0.0000636700000000, 0.0001993800000000 ] - [ 0.0000342500000000, -0.0000146500000000, 0.0001105200000000 ] - [ 0.0001623600000000, -0.0001330500000000, -0.0001927300000000 ] - [ 0.0016432100000000, 0.0001490600000000, -0.0006195100000000 ] - [ 0.0005736400000000, 0.0003712300000000, 0.0004408700000000 ] - [ -0.0000335500000000, -0.0001791900000000, -0.0007289900000000 ] - [ -0.0008275200000000, -0.0005589400000000, 0.0006898800000000 ] - [ -0.0001438800000000, 0.0001116800000000, 0.0001000400000000 ] - [ 0.0002274100000000, -0.0000625800000000, 0.0000463900000000 ] - [ -0.0030771500000000, 0.0015208800000000, -0.0024652400000000 ] - [ 0.0027251100000000, 0.0033843700000000, 0.0044968400000000 ] - [ -0.0003426500000000, 0.0003929100000000, 0.0009162500000000 ] - [ -0.0003383900000000, 0.0001902100000000, 0.0001484300000000 ] - [ 0.0003118600000000, 0.0001624000000000, -0.0001448800000000 ] - [ -0.0007629200000000, 0.0007706400000000, -0.0021414800000000 ] - [ -0.0004079600000000, -0.0003761100000000, 0.0003946700000000 ] - [ -0.0003408500000000, 0.0003830500000000, -0.0004642300000000 ] - [ -0.0060205500000000, 0.0139633100000000, 0.0035946500000000 ] - [ -0.0018215900000000, -0.0026694200000000, -0.0107238700000000 ] - [ 0.0001089600000000, 0.0001399700000000, 0.0001076000000000 ] - [ -0.0002722400000000, 0.0002077900000000, 0.0001489200000000 ] - [ 0.0004421500000000, -0.0001040100000000, -0.0002277100000000 ] - [ 0.0000270200000000, -0.0000990400000000, 0.0000797100000000 ] - [ -0.0006159900000000, -0.0019190700000000, 0.0027407800000000 ] - [ 0.0008014900000000, -0.0007803700000000, 0.0007128400000000 ] - [ 0.0000604100000000, 0.0000463700000000, -0.0003431600000000 ] - [ -0.0026360500000000, -0.0004779800000000, 0.0018994200000000 ] - [ -0.0000445700000000, 0.0004242700000000, 0.0001868300000000 ] - [ 0.0025204800000000, 0.0008733500000000, 0.0026562300000000 ] - [ -0.0000448000000000, 0.0002176000000000, 0.0004374600000000 ] - [ -0.0000402900000000, 0.0001306700000000, 0.0000124500000000 ] - [ -0.0003070900000000, 0.0000549900000000, -0.0002416800000000 ] - [ 0.0000759500000000, 0.0000588500000000, 0.0002191400000000 ] - [ 0.0006110100000000, -0.0001473700000000, 0.0016562700000000 ] - [ 0.0000897600000000, 0.0008246700000000, 0.0001961300000000 ] - [ -0.0000264300000000, -0.0002508600000000, 0.0001476000000000 ] - [ 0.0000937800000000, -0.0000151700000000, -0.0000965600000000 ] - [ -0.0002236500000000, -0.0010092200000000, 0.0005483800000000 ] - [ -0.0000240800000000, -0.0000085400000000, 0.0002768600000000 ] - [ -0.0006440400000000, -0.0005909800000000, -0.0011114900000000 ] - [ -0.0000825400000000, -0.0000103400000000, -0.0003965900000000 ] - [ 0.0002625300000000, -0.0005580600000000, -0.0004127800000000 ] - [ 0.0004458700000000, -0.0009223400000000, 0.0005706700000000 ] - [ -0.0001647000000000, 0.0001564300000000, -0.0000228900000000 ] - [ 0.0009122500000000, 0.0001160000000000, -0.0010856000000000 ] - [ 0.0100303000000000, -0.0180173800000000, -0.0083452900000000 ] - [ 0.0007926800000000, -0.0008904300000000, 0.0002048800000000 ] - [ 0.0020072700000000, 0.0002099400000000, -0.0012307800000000 ] - [ -0.0002827100000000, -0.0001948400000000, 0.0004361800000000 ] - [ -0.0017827500000000, -0.0020170800000000, -0.0040484000000000 ] - [ 0.0007010500000000, 0.0003600700000000, 0.0008132500000000 ] - [ -0.0000021700000000, 0.0001407100000000, 0.0002014400000000 ] - [ -0.0006375700000000, -0.0000388400000000, 0.0001168200000000 ] - [ 0.0019025400000000, -0.0005946200000000, 0.0017002500000000 ] - [ -0.0002487900000000, -0.0005934300000000, -0.0003333500000000 ] - [ 0.0066005100000000, 0.0090933900000000, 0.0005122500000000 ] - [ -0.0004274100000000, -0.0000774000000000, -0.0004012300000000 ] - [ -0.0017945300000000, 0.0006311100000000, -0.0007845100000000 ] - [ -0.0000064700000000, -0.0009420100000000, -0.0010580400000000 ] - [ 0.0001693000000000, 0.0005618200000000, -0.0000603500000000 ] - [ -0.0002545200000000, -0.0000062200000000, 0.0002023400000000 ] - [ 0.0006707900000000, 0.0019689800000000, 0.0010579100000000 ] - [ -0.0001893900000000, 0.0001711000000000, -0.0008317700000000 ] - [ 0.0027351100000000, 0.0015436200000000, 0.0009892200000000 ] - [ 0.0004322200000000, -0.0002963400000000, 0.0002315500000000 ] - [ 0.0001326700000000, 0.0004358100000000, 0.0011667100000000 ] - [ 0.0554690700000000, 0.0800533100000000, 0.1079148900000000 ] - [ 0.0001240500000000, -0.0002219600000000, -0.0001103900000000 ] - [ 0.0003539400000000, -0.0002604300000000, 0.0004206300000000 ] - [ 0.0005310400000000, 0.0007323000000000, 0.0004714400000000 ] - [ 0.0005709100000000, 0.0001299600000000, -0.0007630800000000 ] - [ -0.0156214300000000, -0.0106982100000000, -0.0092299100000000 ] - [ -0.0003795900000000, 0.0000586600000000, -0.0008048500000000 ] - [ 0.0000583100000000, 0.0001463500000000, 0.0006099600000000 ] - [ -0.0044432300000000, -0.0156444600000000, -0.0043117700000000 ] - [ 0.0001811600000000, -0.0005706000000000, -0.0002947700000000 ] - [ -0.0007325400000000, -0.0014642800000000, -0.0020714100000000 ] - [ 0.0001738900000000, 0.0006120700000000, -0.0011356400000000 ] - [ -0.0000870900000000, -0.0003155600000000, 0.0001032300000000 ] - [ -0.0001624800000000, 0.0002627100000000, 0.0006189000000000 ] - [ -0.0005872800000000, 0.0013763100000000, -0.0020423600000000 ] - [ 0.0010910700000000, 0.0004047500000000, -0.0038161400000000 ] - [ -0.0006484300000000, -0.0011691100000000, 0.0010352700000000 ] - [ -0.0003065600000000, 0.0001343400000000, -0.0002664100000000 ] - [ -0.0001339500000000, 0.0004576500000000, 0.0007105500000000 ] - [ 0.0004580500000000, 0.0003587100000000, -0.0014055100000000 ] - [ 0.0000325900000000, -0.0003086800000000, -0.0003104900000000 ] - [ 0.0004247700000000, 0.0006514400000000, 0.0007575100000000 ] - [ -0.0004058900000000, 0.0004327000000000, 0.0015551100000000 ] - [ -0.0007280900000000, -0.0002165200000000, 0.0010598600000000 ] - [ 0.0000720700000000, -0.0003586400000000, -0.0005538900000000 ] - [ 0.0002603000000000, 0.0010325100000000, -0.0024741500000000 ] - [ -0.0036510500000000, -0.0001891400000000, 0.0001781500000000 ] - [ -0.0008870200000000, -0.0008670700000000, 0.0017231100000000 ] - [ 0.0006430200000000, -0.0009808100000000, -0.0007711000000000 ] - [ 0.0004828500000000, 0.0012517700000000, 0.0001214100000000 ] - [ -0.0000832900000000, 0.0001829500000000, 0.0005732600000000 ] - [ -0.0011280700000000, -0.0021809800000000, 0.0047746200000000 ] - [ 0.0011669800000000, 0.0011701700000000, -0.0033859200000000 ] - [ 0.0001490000000000, -0.0000090500000000, -0.0018518000000000 ] - [ -0.0010541400000000, 0.0004329000000000, 0.0017529100000000 ] - [ -0.0438452900000000, -0.0589730400000000, -0.0831204900000000 ] - [ -0.0007974800000000, -0.0000604500000000, -0.0002541500000000 ] - [ 0.0003550200000000, -0.0000593500000000, 0.0013420500000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003503900000000, -0.0002246900000000, 0.0003573300000000 ] - [ 0.0000451500000000, -0.0001257600000000, 0.0000517500000000 ] - [ -0.0000215700000000, 0.0003376600000000, 0.0001523200000000 ] - [ 0.0010500200000000, -0.0004718900000000, 0.0005722700000000 ] - [ -0.0007131900000000, -0.0005324500000000, -0.0005907800000000 ] - [ 0.0005907600000000, -0.0002063500000000, -0.0005665700000000 ] - [ -0.0011914300000000, 0.0004611200000000, 0.0005785200000000 ] - [ 0.0012513200000000, 0.0008984400000000, -0.0003983700000000 ] - [ 0.0015865100000000, 0.0005079400000000, 0.0004638000000000 ] - [ -0.0049507400000000, -0.0009767600000000, -0.0039483500000000 ] - [ -0.0002401400000000, -0.0032912200000000, -0.0003420700000000 ] - [ 0.0083127000000000, -0.0054542000000000, -0.0062940300000000 ] - [ 0.0002194900000000, 0.0002949900000000, 0.0001694100000000 ] - [ 0.0010925500000000, -0.0004533100000000, 0.0003297500000000 ] - [ -0.0006939100000000, -0.0002896900000000, -0.0006318500000000 ] - [ 0.0006075500000000, -0.0004477800000000, -0.0005229300000000 ] - [ -0.0012323300000000, 0.0004441600000000, 0.0003370300000000 ] - [ 0.0012323000000000, 0.0006550200000000, -0.0004390100000000 ] - [ 0.0015440200000000, 0.0005254200000000, 0.0007062500000000 ] - [ -0.0049275200000000, -0.0009964700000000, -0.0036818800000000 ] - [ -0.0003001000000000, -0.0030486000000000, -0.0003061100000000 ] - [ 0.0083919900000000, -0.0053979000000000, -0.0062311000000000 ] - [ 0.0013293400000000, 0.0002440700000000, -0.0007704700000000 ] - [ -0.0006052700000000, 0.0006270300000000, -0.0004475800000000 ] - [ 0.0004377900000000, -0.0004971800000000, -0.0003619200000000 ] - [ 0.0016116300000000, -0.0006540600000000, -0.0004291600000000 ] - [ -0.0003460700000000, 0.0001547300000000, -0.0004650400000000 ] - [ 0.0000559000000000, 0.0002238800000000, -0.0002000600000000 ] - [ -0.0013011900000000, 0.0004872600000000, -0.0003202600000000 ] - [ 0.0001898900000000, -0.0001913600000000, -0.0002437800000000 ] - [ 0.0009082000000000, 0.0004046100000000, -0.0005984400000000 ] - [ -0.0040362100000000, 0.0034684500000000, -0.0010046100000000 ] - [ 0.0073073100000000, 0.0059774600000000, 0.0051305500000000 ] - [ 0.0001912600000000, -0.0001430300000000, 0.0028498100000000 ] - [ 0.0011872800000000, 0.0005160300000000, -0.0008852200000000 ] - [ -0.0007487900000000, 0.0003576100000000, -0.0003349400000000 ] - [ 0.0005829700000000, -0.0002283900000000, -0.0002496400000000 ] - [ 0.0013417500000000, -0.0005405700000000, -0.0005737400000000 ] - [ -0.0002327800000000, 0.0002992700000000, -0.0001957700000000 ] - [ 0.0001686300000000, 0.0000798400000000, -0.0004710300000000 ] - [ -0.0010304700000000, 0.0003756200000000, -0.0004658200000000 ] - [ 0.0000789200000000, -0.0003361900000000, 0.0000253100000000 ] - [ 0.0011777100000000, 0.0005174200000000, -0.0004552200000000 ] - [ -0.0043275300000000, 0.0033424800000000, -0.0008606800000000 ] - [ 0.0073494000000000, 0.0061949400000000, 0.0048552500000000 ] - [ 0.0002968500000000, -0.0004222000000000, 0.0027443900000000 ] - [ 0.0001097300000000, -0.0002670000000000, 0.0003399900000000 ] - [ -0.0001977000000000, -0.0000831500000000, 0.0000693000000000 ] - [ 0.0110299000000000, 0.0014327500000000, 0.0062171900000000 ] - [ 0.0246716800000000, 0.0018818100000000, -0.0010373300000000 ] - [ 0.0106496100000000, -0.0057900900000000, 0.0018924000000000 ] - [ -0.0011049400000000, 0.0001673800000000, 0.0007472800000000 ] - [ -0.0007234300000000, -0.0002080400000000, 0.0000642200000000 ] - [ 0.0016205200000000, -0.0000339600000000, 0.0001443100000000 ] - [ 0.0017731400000000, -0.0000519000000000, -0.0000132800000000 ] - [ 0.0008240400000000, 0.0000034300000000, 0.0001959800000000 ] - [ -0.0020987000000000, -0.0002920600000000, 0.0001206400000000 ] - [ -0.0009788800000000, 0.0003097500000000, 0.0001484300000000 ] - [ 0.0011738300000000, -0.0005011000000000, 0.0002986300000000 ] - [ -0.0022053500000000, -0.0001537500000000, 0.0003362800000000 ] - [ -0.0015796600000000, -0.0001387100000000, -0.0001633200000000 ] - [ -0.0016491400000000, -0.0006048500000000, 0.0007221000000000 ] - [ 0.0005115700000000, -0.0005957100000000, -0.0002525300000000 ] - [ -0.0007890600000000, 0.0002947700000000, 0.0001699600000000 ] - [ 0.0011720700000000, 0.0002764600000000, 0.0007452900000000 ] - [ -0.0004146900000000, 0.0003911900000000, -0.0003856300000000 ] - [ -0.0015552400000000, -0.0001429100000000, 0.0001492500000000 ] - [ 0.0111227900000000, -0.0055663300000000, 0.0012724200000000 ] - [ 0.0270968300000000, 0.0017682600000000, -0.0009633100000000 ] - [ 0.0104192600000000, 0.0018956900000000, 0.0064853900000000 ] - [ -0.0007936100000000, 0.0048881100000000, 0.0033246800000000 ] - [ 0.0004428100000000, -0.0012016100000000, 0.0009504200000000 ] - [ -0.0006260900000000, 0.0010878200000000, -0.0001787400000000 ] - [ -0.0013112500000000, 0.0012924400000000, -0.0011688600000000 ] - [ 0.0001947400000000, -0.0010538500000000, 0.0019708900000000 ] - [ 0.0010722900000000, 0.0000603600000000, 0.0013651300000000 ] - [ 0.0024884300000000, -0.0001200800000000, 0.0011838400000000 ] - [ -0.0004771900000000, 0.0005566300000000, -0.0005410000000000 ] - [ -0.0013613100000000, 0.0015519200000000, 0.0015094600000000 ] - [ 0.0026729700000000, -0.0011702600000000, 0.0011365100000000 ] - [ -0.0020177000000000, -0.0038652000000000, -0.0044802300000000 ] - [ 0.0000455200000000, -0.0003221500000000, -0.0011904400000000 ] - [ -0.0007281000000000, 0.0047570500000000, 0.0039653200000000 ] - [ 0.0005073200000000, -0.0010320700000000, 0.0003371900000000 ] - [ -0.0006977800000000, 0.0009172900000000, -0.0007865700000000 ] - [ -0.0011472300000000, 0.0006687900000000, -0.0010852400000000 ] - [ -0.0004197000000000, -0.0011237700000000, 0.0018057500000000 ] - [ 0.0004701800000000, 0.0001263500000000, 0.0015407000000000 ] - [ 0.0023118100000000, 0.0004919100000000, 0.0012510200000000 ] - [ 0.0001204500000000, 0.0006232400000000, -0.0007203400000000 ] - [ -0.0015276700000000, 0.0009473400000000, 0.0014455700000000 ] - [ 0.0028557700000000, -0.0005623700000000, 0.0010739100000000 ] - [ -0.0014179900000000, -0.0039619300000000, -0.0043436300000000 ] - [ -0.0000081800000000, -0.0001411700000000, -0.0005796400000000 ] - [ -0.0016068600000000, -0.0006045600000000, 0.0006510500000000 ] - [ -0.0004796800000000, -0.0003056300000000, -0.0002808300000000 ] - [ -0.1092442400000000, -0.0015945700000000, -0.0015688000000000 ] - [ 0.0017290400000000, -0.0001527000000000, -0.0005175400000000 ] - [ 0.0017001700000000, 0.0005173600000000, 0.0000936100000000 ] - [ -0.0015135200000000, -0.0000936100000000, -0.0001531200000000 ] - [ -0.0017152700000000, -0.0043488900000000, -0.0038783500000000 ] - [ 0.0005382400000000, -0.0022897700000000, 0.0027725500000000 ] - [ 0.0007548500000000, 0.0046012500000000, -0.0057617200000000 ] - [ -0.0014392200000000, 0.0032199000000000, 0.0021937600000000 ] - [ -0.0015494400000000, 0.0030678500000000, 0.0020331900000000 ] - [ -0.0015475500000000, -0.0041889900000000, -0.0039962800000000 ] - [ 0.0003743900000000, -0.0021713700000000, 0.0029196300000000 ] - [ 0.0008821300000000, 0.0044716700000000, -0.0056338100000000 ]- atom: 101 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014105600000000, -0.0015694500000000, 0.0007680800000000 ] - [ 0.0009046500000000, 0.0005502200000000, -0.0005407800000000 ] - [ 0.0004750200000000, 0.0004995100000000, 0.0002660600000000 ] - [ 0.0159105800000000, -0.0113305500000000, 0.0037987800000000 ] - [ 0.0091701000000000, 0.0038053500000000, 0.0131534300000000 ] - [ 0.0011749900000000, -0.0014618300000000, -0.0021724000000000 ] - [ -0.0004851700000000, 0.0003252200000000, 0.0002830800000000 ] - [ -0.0002351700000000, 0.0001041900000000, 0.0005856900000000 ] - [ 0.0015666100000000, 0.0003502200000000, 0.0010449200000000 ] - [ 0.0002231600000000, -0.0002038100000000, -0.0002170000000000 ] - [ 0.0001231200000000, -0.0002511000000000, -0.0001037400000000 ] - [ -0.0117040300000000, 0.0138027000000000, 0.0087489500000000 ] - [ -0.0013844800000000, -0.0002707100000000, -0.0010584800000000 ] - [ 0.0003972300000000, -0.0002185600000000, 0.0000104200000000 ] - [ 0.0004218400000000, 0.0001195100000000, 0.0004520700000000 ] - [ 0.0000525200000000, -0.0002906000000000, -0.0004234500000000 ] - [ 0.0058721300000000, 0.0005075900000000, -0.0018423000000000 ] - [ 0.0029443700000000, 0.0009580600000000, 0.0002444100000000 ] - [ -0.0000958100000000, 0.0002587600000000, 0.0005085000000000 ] - [ -0.0006798200000000, -0.0024506300000000, 0.0001588600000000 ] - [ -0.0038764500000000, 0.0023253000000000, -0.0045657800000000 ] - [ 0.0002864300000000, -0.0004569400000000, -0.0003085900000000 ] - [ 0.0003323600000000, -0.0000759500000000, 0.0000772900000000 ] - [ -0.0040426900000000, 0.0046827600000000, -0.0025584700000000 ] - [ -0.0002745900000000, -0.0000353200000000, 0.0000568700000000 ] - [ -0.0000760700000000, 0.0004837200000000, 0.0024112900000000 ] - [ -0.0011934800000000, -0.0015650600000000, -0.0008775800000000 ] - [ 0.0000806400000000, 0.0001295400000000, 0.0000111300000000 ] - [ -0.0005433000000000, 0.0002954100000000, 0.0000333800000000 ] - [ -0.0015479500000000, 0.0015666700000000, -0.0000269800000000 ] - [ 0.0000770200000000, -0.0000069800000000, -0.0001288500000000 ] - [ 0.0060186800000000, 0.0019091500000000, -0.0006390300000000 ] - [ 0.0008525400000000, 0.0001776200000000, 0.0004977700000000 ] - [ 0.0024398400000000, -0.0007272000000000, 0.0005640400000000 ] - [ 0.0065282800000000, 0.0102121600000000, -0.0009679800000000 ] - [ 0.0002363700000000, 0.0000026700000000, 0.0003068200000000 ] - [ 0.0018463400000000, -0.0024973700000000, -0.0022261900000000 ] - [ 0.0003347900000000, -0.0001877900000000, -0.0001192500000000 ] - [ 0.0006018500000000, -0.0003050800000000, 0.0003808900000000 ] - [ -0.0120626500000000, -0.0086896200000000, 0.0115194700000000 ] - [ 0.0024988500000000, -0.0019958000000000, 0.0009713600000000 ] - [ 0.0004665900000000, -0.0002229800000000, 0.0000453500000000 ] - [ 0.0123376100000000, 0.0019240200000000, -0.0107928500000000 ] - [ -0.0004574100000000, 0.0001205400000000, 0.0001558100000000 ] - [ 0.0013314100000000, 0.0007095000000000, 0.0012286600000000 ] - [ -0.0003287800000000, -0.0007068500000000, 0.0001972400000000 ] - [ 0.0008420900000000, -0.0006195100000000, 0.0005132500000000 ] - [ -0.0012068400000000, -0.0001499900000000, -0.0015201100000000 ] - [ -0.0011249000000000, 0.0027411100000000, -0.0001744200000000 ] - [ -0.0015252800000000, 0.0009227100000000, 0.0002457400000000 ] - [ 0.0001631300000000, -0.0001438700000000, 0.0063360700000000 ] - [ 0.0003537700000000, 0.0004453300000000, 0.0007079200000000 ] - [ 0.0068680000000000, -0.0025491000000000, 0.0016619600000000 ] - [ -0.0002376500000000, -0.0010969800000000, -0.0010007900000000 ] - [ 0.0002670300000000, -0.0005787600000000, -0.0008439700000000 ] - [ 0.0026284500000000, 0.0006929600000000, 0.0008559600000000 ] - [ -0.0023922800000000, -0.0005848100000000, -0.0027961200000000 ] - [ 0.0003321900000000, 0.0005194800000000, -0.0003173600000000 ] - [ -0.0003023500000000, -0.0068233600000000, 0.0007820300000000 ] - [ -0.0002619700000000, -0.0000847600000000, -0.0001765200000000 ] - [ -0.0101737000000000, 0.0057220300000000, -0.0025935700000000 ] - [ 0.0004012900000000, 0.0004559200000000, -0.0002699300000000 ] - [ -0.0021455400000000, -0.0005195100000000, -0.0003781100000000 ] - [ 0.0076872600000000, 0.0060849900000000, -0.0082577900000000 ] - [ -0.0052910000000000, -0.0024492200000000, -0.0079690300000000 ] - [ -0.0010369400000000, 0.0004750200000000, -0.0009482400000000 ] - [ -0.0069628000000000, -0.0014733300000000, 0.0051694500000000 ] - [ 0.0007543700000000, 0.0002779800000000, -0.0002671800000000 ] - [ 0.0080944500000000, -0.0098394800000000, -0.0057314600000000 ] - [ 0.0004587100000000, 0.0012748900000000, 0.0003503800000000 ] - [ -0.0004285100000000, 0.0002172000000000, -0.0002897800000000 ] - [ 0.0030906900000000, -0.0018433300000000, 0.0015327400000000 ] - [ 0.0020182100000000, -0.0009146100000000, 0.0014947500000000 ] - [ 0.0022263000000000, 0.0003758100000000, -0.0028048800000000 ] - [ 0.0022251900000000, 0.0027050300000000, -0.0009952600000000 ] - [ -0.0001992200000000, 0.0001723200000000, -0.0005795000000000 ] - [ 0.0029726300000000, 0.0018092900000000, 0.0014241400000000 ] - [ 0.0029920800000000, -0.0003410300000000, 0.0021012700000000 ] - [ -0.0004706900000000, 0.0005513600000000, 0.0001485100000000 ] - [ -0.0076080300000000, 0.0007954600000000, -0.0018359200000000 ] - [ -0.0051468000000000, 0.0014083900000000, 0.0022968600000000 ] - [ -0.0040076900000000, -0.0008625900000000, -0.0002186700000000 ] - [ 0.1181758700000000, 0.0925919800000000, 0.0462255300000000 ] - [ -0.0011859100000000, -0.0000678700000000, -0.0000204700000000 ] - [ -0.0021378900000000, 0.0016094700000000, 0.0004275000000000 ] - [ -0.0015924700000000, -0.0008025300000000, 0.0001662200000000 ] - [ -0.0021241700000000, -0.0001763500000000, 0.0016861300000000 ] - [ 0.0827093300000000, -0.0530253800000000, 0.0650402500000000 ] - [ -0.0025421400000000, 0.0004327100000000, -0.0014268300000000 ] - [ -0.0009669400000000, -0.0007143200000000, -0.0005613000000000 ] - [ 0.1512737700000000, -0.0623864800000000, -0.0980217200000000 ] - [ 0.0006578200000000, 0.0003146000000000, -0.0002753600000000 ] - [ 0.0006248600000000, -0.0008879700000000, -0.0016609100000000 ] - [ 0.0006298400000000, 0.0018855100000000, -0.0006838400000000 ] - [ -0.0027452200000000, -0.0050794700000000, 0.0011957300000000 ] - [ -0.0009360900000000, -0.0002697500000000, -0.0002349300000000 ] - [ -0.0016224700000000, -0.0056741900000000, -0.0022243900000000 ] - [ -0.0015179300000000, 0.0021269500000000, -0.0031525600000000 ] - [ 0.0007950600000000, -0.0028533300000000, 0.0042816900000000 ] - [ 0.0004621300000000, 0.0039388800000000, 0.0045111200000000 ] - [ -0.3766416800000000, 0.0246833100000000, -0.0229363600000000 ] - [ 0.0032422400000000, -0.0002840700000000, 0.0006019000000000 ] - [ 0.0034726100000000, 0.0015439400000000, -0.0002767000000000 ] - [ -0.0018069100000000, -0.0006033100000000, 0.0015373400000000 ] - [ 0.0127938800000000, -0.0019425200000000, -0.0009242800000000 ] - [ 0.0008728600000000, -0.0003602800000000, 0.0003629700000000 ] - [ -0.0060894900000000, -0.0001535000000000, 0.0019645200000000 ] - [ -0.0055832700000000, -0.0009192900000000, -0.0001645900000000 ]- atom: 101 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011604300000000, 0.0015988900000000, -0.0007414400000000 ] - [ -0.0006665900000000, -0.0005987400000000, 0.0005226300000000 ] - [ -0.0007168600000000, -0.0004571000000000, -0.0002803600000000 ] - [ -0.0159639500000000, 0.0112106400000000, -0.0036252200000000 ] - [ -0.0090573700000000, -0.0039361400000000, -0.0130618800000000 ] - [ -0.0011857900000000, 0.0016760800000000, 0.0021025100000000 ] - [ 0.0005353200000000, -0.0003105200000000, -0.0000434400000000 ] - [ 0.0002474400000000, 0.0001364800000000, -0.0005390300000000 ] - [ -0.0015249200000000, -0.0003656700000000, -0.0012847000000000 ] - [ -0.0002598400000000, 0.0002238100000000, -0.0000226900000000 ] - [ -0.0001016900000000, 0.0000067800000000, 0.0000650500000000 ] - [ 0.0115407800000000, -0.0138770500000000, -0.0087651700000000 ] - [ 0.0016425400000000, 0.0002533100000000, 0.0010830800000000 ] - [ -0.0003607400000000, 0.0002385500000000, -0.0002530200000000 ] - [ -0.0004048300000000, 0.0001219800000000, -0.0004990100000000 ] - [ -0.0000393300000000, 0.0000504800000000, 0.0004679800000000 ] - [ -0.0059571800000000, -0.0005395400000000, 0.0016088700000000 ] - [ -0.0029619500000000, -0.0012009600000000, -0.0002642900000000 ] - [ 0.0000405000000000, -0.0002440700000000, -0.0002683900000000 ] - [ 0.0007463400000000, 0.0024299700000000, 0.0000708500000000 ] - [ 0.0039249400000000, -0.0021242200000000, 0.0046566000000000 ] - [ -0.0000485000000000, 0.0005087000000000, 0.0002966900000000 ] - [ -0.0001896900000000, -0.0001934500000000, 0.0000365500000000 ] - [ 0.0042488400000000, -0.0044526100000000, 0.0024882400000000 ] - [ 0.0001240100000000, -0.0002301600000000, -0.0001675900000000 ] - [ 0.0003240400000000, -0.0005851800000000, -0.0022599900000000 ] - [ 0.0010871500000000, 0.0014252000000000, 0.0006095600000000 ] - [ -0.0001894500000000, 0.0000172800000000, 0.0002516400000000 ] - [ 0.0002853200000000, -0.0001911100000000, 0.0001153600000000 ] - [ 0.0016771500000000, -0.0014210400000000, -0.0002690400000000 ] - [ -0.0003511100000000, -0.0001061300000000, -0.0000136200000000 ] - [ -0.0057930200000000, -0.0018075400000000, 0.0005077700000000 ] - [ -0.0007367800000000, -0.0003112300000000, -0.0002164400000000 ] - [ -0.0025762200000000, 0.0010149000000000, -0.0004527700000000 ] - [ -0.0067471400000000, -0.0098947100000000, 0.0008950200000000 ] - [ -0.0003757900000000, -0.0002744800000000, -0.0001901900000000 ] - [ -0.0016978000000000, 0.0027473200000000, 0.0023178000000000 ] - [ -0.0006119700000000, 0.0003011000000000, -0.0000199200000000 ] - [ -0.0004896000000000, 0.0004514500000000, -0.0001183900000000 ] - [ 0.0120838900000000, 0.0084620400000000, -0.0116776600000000 ] - [ -0.0022200600000000, 0.0018779400000000, -0.0011125600000000 ] - [ -0.0005791500000000, 0.0000756900000000, 0.0002260500000000 ] - [ -0.0120579400000000, -0.0018162400000000, 0.0108081000000000 ] - [ 0.0001960700000000, -0.0002309700000000, -0.0000081700000000 ] - [ -0.0014407400000000, -0.0005729300000000, -0.0014985300000000 ] - [ 0.0004799300000000, 0.0004411700000000, -0.0003060300000000 ] - [ -0.0010855000000000, 0.0005891500000000, -0.0005389200000000 ] - [ 0.0009687100000000, 0.0002035200000000, 0.0015438700000000 ] - [ 0.0017006800000000, -0.0032031800000000, -0.0001259100000000 ] - [ 0.0012202400000000, -0.0003436500000000, -0.0007046800000000 ] - [ -0.0007418400000000, -0.0001080000000000, -0.0057125500000000 ] - [ 0.0001012000000000, -0.0001377800000000, -0.0001133500000000 ] - [ -0.0071584500000000, 0.0018486900000000, -0.0011254700000000 ] - [ 0.0006758400000000, 0.0008010000000000, 0.0004113900000000 ] - [ 0.0003186800000000, 0.0010239100000000, 0.0005348000000000 ] - [ -0.0023357500000000, -0.0001063200000000, -0.0004087500000000 ] - [ 0.0019617700000000, 0.0008901400000000, 0.0021766800000000 ] - [ 0.0002768900000000, -0.0000786000000000, 0.0006269500000000 ] - [ -0.0004013600000000, 0.0063655200000000, -0.0005199200000000 ] - [ -0.0003205000000000, 0.0005264500000000, -0.0001281800000000 ] - [ 0.0096121200000000, -0.0061290000000000, 0.0023190000000000 ] - [ 0.0000578500000000, -0.0007615300000000, 0.0008573900000000 ] - [ 0.0018397400000000, -0.0000722100000000, -0.0000516100000000 ] - [ -0.0079147300000000, -0.0054335100000000, 0.0086115000000000 ] - [ 0.0047711900000000, 0.0026790800000000, 0.0084949700000000 ] - [ 0.0013448200000000, 0.0001240600000000, 0.0004967100000000 ] - [ 0.0065240900000000, 0.0011656200000000, -0.0057015800000000 ] - [ -0.0003214300000000, 0.0000282500000000, -0.0003326200000000 ] - [ -0.0078552600000000, 0.0092850600000000, 0.0061995600000000 ] - [ -0.0010690300000000, -0.0008377300000000, -0.0000529600000000 ] - [ 0.0003653600000000, -0.0000515200000000, -0.0003242000000000 ] - [ -0.0031800200000000, 0.0016885100000000, -0.0009329600000000 ] - [ -0.0019504700000000, 0.0010773400000000, -0.0008914300000000 ] - [ -0.0023835000000000, 0.0002335100000000, 0.0027336800000000 ] - [ -0.0016092900000000, -0.0026349200000000, 0.0011630500000000 ] - [ 0.0008109800000000, -0.0002421300000000, 0.0004167000000000 ] - [ -0.0028092500000000, -0.0024068200000000, -0.0014869600000000 ] - [ -0.0036294500000000, 0.0002821300000000, -0.0019498800000000 ] - [ 0.0006493400000000, 0.0000543400000000, -0.0000893400000000 ] - [ 0.0074810100000000, -0.0014076800000000, 0.0019094000000000 ] - [ 0.0045162800000000, -0.0013493500000000, -0.0024747800000000 ] - [ 0.0040790100000000, 0.0006722000000000, -0.0003815800000000 ] - [ -0.1159886900000000, -0.0888550000000000, -0.0432065300000000 ] - [ 0.0012508500000000, 0.0002364800000000, -0.0005962000000000 ] - [ 0.0020671200000000, -0.0017666200000000, -0.0010345300000000 ] - [ 0.0017703600000000, 0.0001936200000000, -0.0001058900000000 ] - [ 0.0015060300000000, 0.0001115500000000, -0.0018388000000000 ] - [ -0.0841089200000000, 0.0551683700000000, -0.0675275800000000 ] - [ 0.0023591900000000, 0.0001771700000000, 0.0014858400000000 ] - [ 0.0015780600000000, 0.0007857900000000, 0.0003901000000000 ] - [ -0.1465631200000000, 0.0577748900000000, 0.0929001500000000 ] - [ -0.0004979600000000, 0.0002988800000000, 0.0002073600000000 ] - [ -0.0000136800000000, 0.0008284200000000, 0.0018318500000000 ] - [ -0.0006991700000000, -0.0017077000000000, 0.0012870000000000 ] - [ 0.0033883600000000, 0.0046469200000000, -0.0009147500000000 ] - [ 0.0012434500000000, -0.0003390300000000, -0.0002006800000000 ] - [ 0.0016424900000000, 0.0057218700000000, 0.0022359400000000 ] - [ 0.0014736700000000, -0.0020995900000000, 0.0031340900000000 ] - [ -0.0008387700000000, 0.0028384300000000, -0.0042559700000000 ] - [ -0.0004477200000000, -0.0039347700000000, -0.0045615400000000 ] - [ 0.3704370300000000, -0.0266957700000000, 0.0283793900000000 ] - [ -0.0031089800000000, 0.0001409800000000, -0.0007325900000000 ] - [ -0.0036011500000000, -0.0013944300000000, 0.0001478900000000 ] - [ 0.0019349300000000, 0.0007310300000000, -0.0014011100000000 ] - [ -0.0129328400000000, 0.0018171000000000, 0.0007549800000000 ] - [ -0.0007401300000000, 0.0004963700000000, -0.0004934800000000 ] - [ 0.0059597100000000, 0.0003027500000000, -0.0017953200000000 ] - [ 0.0057021100000000, 0.0007597300000000, 0.0002915700000000 ]