# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/845a5a55-93c1-4adc-a85a-2be286db5439/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 Mg(IO3)2 / P2_1/c (14) / materials id 771040](https://mdr.nims.go.jp/datasets/e8b74595-af46-47d6-aa81-5fbf3dba72bb) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.534667720000000, 0.000000000000000, -0.057833200000000 ] # a - [ 0.000000000000000, 10.695549110000000, 0.000000000000000 ] # b - [ -3.893302880000000, 0.000000000000000, 7.596231810000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.890142420000000, 0.092240020000000, 0.092005680000000 ] mass: 24.305000 - symbol: Mg # 2 coordinates: [ 0.109857580000000, 0.592240020000000, 0.407994320000000 ] mass: 24.305000 - symbol: Mg # 3 coordinates: [ 0.890142420000000, 0.407759980000000, 0.592005680000000 ] mass: 24.305000 - symbol: Mg # 4 coordinates: [ 0.109857580000000, 0.907759980000000, 0.907994320000000 ] mass: 24.305000 - symbol: I # 5 coordinates: [ 0.643832900000000, 0.787422010000000, 0.924784730000000 ] mass: 126.904470 - symbol: I # 6 coordinates: [ 0.356167100000000, 0.287422010000000, 0.575215270000000 ] mass: 126.904470 - symbol: I # 7 coordinates: [ 0.241807790000000, 0.918332090000000, 0.496468800000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.758192210000000, 0.418332090000000, 0.003531200000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.241807790000000, 0.581667910000000, 0.996468800000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.758192210000000, 0.081667910000000, 0.503531200000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.643832900000000, 0.712577990000000, 0.424784730000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.356167100000000, 0.212577990000000, 0.075215270000000 ] mass: 126.904470 - symbol: O # 13 coordinates: [ 0.842509430000000, 0.923126970000000, 0.971977600000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.602003920000000, 0.102414210000000, 0.634983390000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.601273350000000, 0.383578470000000, 0.611472720000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.563312920000000, 0.771997450000000, 0.689336610000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.436687080000000, 0.271997450000000, 0.810663390000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.947265230000000, 0.281167660000000, 0.083807820000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.964159440000000, 0.537662040000000, 0.149229280000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.398726650000000, 0.883578470000000, 0.888527280000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.035840560000000, 0.037662040000000, 0.350770720000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.052734770000000, 0.781167660000000, 0.416192180000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.397996080000000, 0.602414210000000, 0.865016610000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.157490570000000, 0.423126970000000, 0.528022400000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.842509430000000, 0.576873030000000, 0.471977600000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.602003920000000, 0.397585790000000, 0.134983390000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.947265230000000, 0.218832340000000, 0.583807820000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.964159440000000, 0.962337960000000, 0.649229280000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.601273350000000, 0.116421530000000, 0.111472720000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.035840560000000, 0.462337960000000, 0.850770720000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.052734770000000, 0.718832340000000, 0.916192180000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.563312920000000, 0.728002550000000, 0.189336610000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.436687080000000, 0.228002550000000, 0.310663390000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.398726650000000, 0.616421530000000, 0.388527280000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.397996080000000, 0.897585790000000, 0.365016610000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.157490570000000, 0.076873030000000, 0.028022400000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.153727277184251, 0.000000000000000, 0.078789966652690 ] # a* - [ 0.000000000000000, 0.093496835900181, 0.000000000000000 ] # b* - [ 0.001170388238435, 0.000000000000000, 0.132244078514952 ] # c*unit_cell: lattice: - [ 6.534667720000000, 0.000000000000000, -0.057833200000000 ] # a - [ 0.000000000000000, 10.695549110000000, 0.000000000000000 ] # b - [ -3.893302880000000, 0.000000000000000, 7.596231810000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.890142420000000, 0.092240020000000, 0.092005680000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.109857580000000, 0.592240020000000, 0.407994320000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.890142420000000, 0.407759980000000, 0.592005680000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.109857580000000, 0.907759980000000, 0.907994320000000 ] mass: 24.305000 reduced_to: 4 - symbol: I # 5 coordinates: [ 0.643832900000000, 0.787422010000000, 0.924784730000000 ] mass: 126.904470 reduced_to: 5 - symbol: I # 6 coordinates: [ 0.356167100000000, 0.287422010000000, 0.575215270000000 ] mass: 126.904470 reduced_to: 6 - symbol: I # 7 coordinates: [ 0.241807790000000, 0.918332090000000, 0.496468800000000 ] mass: 126.904470 reduced_to: 7 - symbol: I # 8 coordinates: [ 0.758192210000000, 0.418332090000000, 0.003531200000000 ] mass: 126.904470 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.241807790000000, 0.581667910000000, 0.996468800000000 ] mass: 126.904470 reduced_to: 9 - symbol: I # 10 coordinates: [ 0.758192210000000, 0.081667910000000, 0.503531200000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.643832900000000, 0.712577990000000, 0.424784730000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.356167100000000, 0.212577990000000, 0.075215270000000 ] mass: 126.904470 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.842509430000000, 0.923126970000000, 0.971977600000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.602003920000000, 0.102414210000000, 0.634983390000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.601273350000000, 0.383578470000000, 0.611472720000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.563312920000000, 0.771997450000000, 0.689336610000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.436687080000000, 0.271997450000000, 0.810663390000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.947265230000000, 0.281167660000000, 0.083807820000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.964159440000000, 0.537662040000000, 0.149229280000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.398726650000000, 0.883578470000000, 0.888527280000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.035840560000000, 0.037662040000000, 0.350770720000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.052734770000000, 0.781167660000000, 0.416192180000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.397996080000000, 0.602414210000000, 0.865016610000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.157490570000000, 0.423126970000000, 0.528022400000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.842509430000000, 0.576873030000000, 0.471977600000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.602003920000000, 0.397585790000000, 0.134983390000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.947265230000000, 0.218832340000000, 0.583807820000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.964159440000000, 0.962337960000000, 0.649229280000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.601273350000000, 0.116421530000000, 0.111472720000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.035840560000000, 0.462337960000000, 0.850770720000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.052734770000000, 0.718832340000000, 0.916192180000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.563312920000000, 0.728002550000000, 0.189336610000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.436687080000000, 0.228002550000000, 0.310663390000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.398726650000000, 0.616421530000000, 0.388527280000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.397996080000000, 0.897585790000000, 0.365016610000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.157490570000000, 0.076873030000000, 0.028022400000000 ] mass: 15.999400 reduced_to: 36supercell: lattice: - [ 13.069335440000000, 0.000000000000000, -0.115666400000000 ] # a - [ 0.000000000000000, 10.695549110000000, 0.000000000000000 ] # b - [ -7.786605760000000, 0.000000000000000, 15.192463620000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.445071210000000, 0.092240020000000, 0.046002840000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.945071210000000, 0.092240020000000, 0.046002840000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 3 coordinates: [ 0.445071210000000, 0.092240020000000, 0.546002840000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 4 coordinates: [ 0.945071210000000, 0.092240020000000, 0.546002840000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 5 coordinates: [ 0.054928790000000, 0.592240020000000, 0.203997160000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.554928790000000, 0.592240020000000, 0.203997160000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 7 coordinates: [ 0.054928790000000, 0.592240020000000, 0.703997160000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 8 coordinates: [ 0.554928790000000, 0.592240020000000, 0.703997160000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 9 coordinates: [ 0.445071210000000, 0.407759980000000, 0.296002840000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 10 coordinates: [ 0.945071210000000, 0.407759980000000, 0.296002840000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 11 coordinates: [ 0.445071210000000, 0.407759980000000, 0.796002840000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 12 coordinates: [ 0.945071210000000, 0.407759980000000, 0.796002840000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 13 coordinates: [ 0.054928790000000, 0.907759980000000, 0.453997160000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 14 coordinates: [ 0.554928790000000, 0.907759980000000, 0.453997160000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 15 coordinates: [ 0.054928790000000, 0.907759980000000, 0.953997160000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 16 coordinates: [ 0.554928790000000, 0.907759980000000, 0.953997160000000 ] mass: 24.305000 reduced_to: 13 - symbol: I # 17 coordinates: [ 0.321916450000000, 0.787422010000000, 0.462392365000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.821916450000000, 0.787422010000000, 0.462392365000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 19 coordinates: [ 0.321916450000000, 0.787422010000000, 0.962392365000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 20 coordinates: [ 0.821916450000000, 0.787422010000000, 0.962392365000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 21 coordinates: [ 0.178083550000000, 0.287422010000000, 0.287607635000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.678083550000000, 0.287422010000000, 0.287607635000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 23 coordinates: [ 0.178083550000000, 0.287422010000000, 0.787607635000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 24 coordinates: [ 0.678083550000000, 0.287422010000000, 0.787607635000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 25 coordinates: [ 0.120903895000000, 0.918332090000000, 0.248234400000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.620903895000000, 0.918332090000000, 0.248234400000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 27 coordinates: [ 0.120903895000000, 0.918332090000000, 0.748234400000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 28 coordinates: [ 0.620903895000000, 0.918332090000000, 0.748234400000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 29 coordinates: [ 0.379096105000000, 0.418332090000000, 0.001765600000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.879096105000000, 0.418332090000000, 0.001765600000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 31 coordinates: [ 0.379096105000000, 0.418332090000000, 0.501765600000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 32 coordinates: [ 0.879096105000000, 0.418332090000000, 0.501765600000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 33 coordinates: [ 0.120903895000000, 0.581667910000000, 0.498234400000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.620903895000000, 0.581667910000000, 0.498234400000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 35 coordinates: [ 0.120903895000000, 0.581667910000000, 0.998234400000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 36 coordinates: [ 0.620903895000000, 0.581667910000000, 0.998234400000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 37 coordinates: [ 0.379096105000000, 0.081667910000000, 0.251765600000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.879096105000000, 0.081667910000000, 0.251765600000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 39 coordinates: [ 0.379096105000000, 0.081667910000000, 0.751765600000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 40 coordinates: [ 0.879096105000000, 0.081667910000000, 0.751765600000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 41 coordinates: [ 0.321916450000000, 0.712577990000000, 0.212392365000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.821916450000000, 0.712577990000000, 0.212392365000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 43 coordinates: [ 0.321916450000000, 0.712577990000000, 0.712392365000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 44 coordinates: [ 0.821916450000000, 0.712577990000000, 0.712392365000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 45 coordinates: [ 0.178083550000000, 0.212577990000000, 0.037607635000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.678083550000000, 0.212577990000000, 0.037607635000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 47 coordinates: [ 0.178083550000000, 0.212577990000000, 0.537607635000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 48 coordinates: [ 0.678083550000000, 0.212577990000000, 0.537607635000000 ] mass: 126.904470 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.421254715000000, 0.923126970000000, 0.485988800000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.921254715000000, 0.923126970000000, 0.485988800000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.421254715000000, 0.923126970000000, 0.985988800000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.921254715000000, 0.923126970000000, 0.985988800000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.301001960000000, 0.102414210000000, 0.317491695000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.801001960000000, 0.102414210000000, 0.317491695000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.301001960000000, 0.102414210000000, 0.817491695000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.801001960000000, 0.102414210000000, 0.817491695000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.300636675000000, 0.383578470000000, 0.305736360000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.800636675000000, 0.383578470000000, 0.305736360000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.300636675000000, 0.383578470000000, 0.805736360000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.800636675000000, 0.383578470000000, 0.805736360000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.281656460000000, 0.771997450000000, 0.344668305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.781656460000000, 0.771997450000000, 0.344668305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.281656460000000, 0.771997450000000, 0.844668305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.781656460000000, 0.771997450000000, 0.844668305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.218343540000000, 0.271997450000000, 0.405331695000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.718343540000000, 0.271997450000000, 0.405331695000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.218343540000000, 0.271997450000000, 0.905331695000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.718343540000000, 0.271997450000000, 0.905331695000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.473632615000000, 0.281167660000000, 0.041903910000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.973632615000000, 0.281167660000000, 0.041903910000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.473632615000000, 0.281167660000000, 0.541903910000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.973632615000000, 0.281167660000000, 0.541903910000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.482079720000000, 0.537662040000000, 0.074614640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.982079720000000, 0.537662040000000, 0.074614640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.482079720000000, 0.537662040000000, 0.574614640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.982079720000000, 0.537662040000000, 0.574614640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.199363325000000, 0.883578470000000, 0.444263640000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.699363325000000, 0.883578470000000, 0.444263640000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.199363325000000, 0.883578470000000, 0.944263640000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.699363325000000, 0.883578470000000, 0.944263640000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.017920280000000, 0.037662040000000, 0.175385360000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.517920280000000, 0.037662040000000, 0.175385360000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.017920280000000, 0.037662040000000, 0.675385360000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.517920280000000, 0.037662040000000, 0.675385360000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.026367385000000, 0.781167660000000, 0.208096090000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.526367385000000, 0.781167660000000, 0.208096090000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.026367385000000, 0.781167660000000, 0.708096090000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.526367385000000, 0.781167660000000, 0.708096090000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.198998040000000, 0.602414210000000, 0.432508305000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.698998040000000, 0.602414210000000, 0.432508305000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.198998040000000, 0.602414210000000, 0.932508305000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.698998040000000, 0.602414210000000, 0.932508305000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.078745285000000, 0.423126970000000, 0.264011200000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.578745285000000, 0.423126970000000, 0.264011200000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.078745285000000, 0.423126970000000, 0.764011200000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.578745285000000, 0.423126970000000, 0.764011200000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.421254715000000, 0.576873030000000, 0.235988800000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.921254715000000, 0.576873030000000, 0.235988800000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.421254715000000, 0.576873030000000, 0.735988800000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.921254715000000, 0.576873030000000, 0.735988800000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.301001960000000, 0.397585790000000, 0.067491695000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.801001960000000, 0.397585790000000, 0.067491695000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.301001960000000, 0.397585790000000, 0.567491695000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.801001960000000, 0.397585790000000, 0.567491695000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.473632615000000, 0.218832340000000, 0.291903910000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.973632615000000, 0.218832340000000, 0.291903910000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.473632615000000, 0.218832340000000, 0.791903910000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.973632615000000, 0.218832340000000, 0.791903910000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.482079720000000, 0.962337960000000, 0.324614640000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.982079720000000, 0.962337960000000, 0.324614640000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.482079720000000, 0.962337960000000, 0.824614640000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.982079720000000, 0.962337960000000, 0.824614640000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.300636675000000, 0.116421530000000, 0.055736360000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.800636675000000, 0.116421530000000, 0.055736360000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.300636675000000, 0.116421530000000, 0.555736360000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.800636675000000, 0.116421530000000, 0.555736360000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.017920280000000, 0.462337960000000, 0.425385360000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.517920280000000, 0.462337960000000, 0.425385360000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.017920280000000, 0.462337960000000, 0.925385360000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.517920280000000, 0.462337960000000, 0.925385360000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.026367385000000, 0.718832340000000, 0.458096090000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.526367385000000, 0.718832340000000, 0.458096090000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.026367385000000, 0.718832340000000, 0.958096090000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.526367385000000, 0.718832340000000, 0.958096090000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.281656460000000, 0.728002550000000, 0.094668305000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.781656460000000, 0.728002550000000, 0.094668305000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.281656460000000, 0.728002550000000, 0.594668305000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.781656460000000, 0.728002550000000, 0.594668305000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 129 coordinates: [ 0.218343540000000, 0.228002550000000, 0.155331695000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.718343540000000, 0.228002550000000, 0.155331695000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.218343540000000, 0.228002550000000, 0.655331695000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 132 coordinates: [ 0.718343540000000, 0.228002550000000, 0.655331695000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 133 coordinates: [ 0.199363325000000, 0.616421530000000, 0.194263640000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.699363325000000, 0.616421530000000, 0.194263640000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.199363325000000, 0.616421530000000, 0.694263640000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.699363325000000, 0.616421530000000, 0.694263640000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.198998040000000, 0.897585790000000, 0.182508305000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.698998040000000, 0.897585790000000, 0.182508305000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 139 coordinates: [ 0.198998040000000, 0.897585790000000, 0.682508305000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 140 coordinates: [ 0.698998040000000, 0.897585790000000, 0.682508305000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 141 coordinates: [ 0.078745285000000, 0.076873030000000, 0.014011200000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.578745285000000, 0.076873030000000, 0.014011200000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 143 coordinates: [ 0.078745285000000, 0.076873030000000, 0.514011200000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 144 coordinates: [ 0.578745285000000, 0.076873030000000, 0.514011200000000 ] mass: 15.999400 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099996083916704, 0.0000000000000000, -0.0000884986623371 ] forces: - [ -0.1159004700000000, 0.0054384800000000, 0.0183352800000000 ] - [ 0.0052542000000000, -0.0002010500000000, -0.0002912900000000 ] - [ 0.0000324600000000, 0.0000833300000000, -0.0001829600000000 ] - [ 0.0000624100000000, -0.0000331600000000, 0.0005860200000000 ] - [ 0.0005602100000000, -0.0000680100000000, 0.0000956700000000 ] - [ -0.0006877200000000, 0.0002236800000000, -0.0001143100000000 ] - [ -0.0000817900000000, -0.0002716400000000, 0.0000656200000000 ] - [ -0.0000386700000000, 0.0001166100000000, -0.0005203000000000 ] - [ -0.0006981600000000, -0.0007860600000000, -0.0003925500000000 ] - [ 0.0008825700000000, 0.0005291200000000, 0.0009147700000000 ] - [ -0.0006993600000000, 0.0003807800000000, -0.0003421900000000 ] - [ 0.0008798900000000, -0.0002714700000000, 0.0005763300000000 ] - [ 0.0000504000000000, -0.0001425500000000, 0.0002849600000000 ] - [ -0.0000884200000000, 0.0001374200000000, -0.0007886900000000 ] - [ 0.0015490100000000, 0.0024905400000000, 0.0012290700000000 ] - [ 0.0015990900000000, -0.0084399100000000, -0.0053710200000000 ] - [ 0.0014011100000000, 0.0001011800000000, -0.0009937900000000 ] - [ 0.0008465800000000, -0.0000172100000000, -0.0005578800000000 ] - [ -0.0030918000000000, 0.0055084600000000, 0.0007067300000000 ] - [ 0.0035877700000000, -0.0001828700000000, -0.0007546500000000 ] - [ 0.0021846200000000, -0.0016367500000000, -0.0018546400000000 ] - [ -0.0046779800000000, 0.0015982000000000, 0.0040026300000000 ] - [ -0.0030913100000000, -0.0000493600000000, 0.0045710200000000 ] - [ -0.0000867200000000, -0.0000432800000000, -0.0010824200000000 ] - [ 0.0030095300000000, 0.0003252300000000, -0.0003732500000000 ] - [ -0.0026378200000000, -0.0009605600000000, 0.0042904700000000 ] - [ -0.0000719500000000, 0.0005722100000000, 0.0010415600000000 ] - [ 0.0013922800000000, 0.0002012000000000, -0.0007348200000000 ] - [ -0.0078190700000000, -0.0024912400000000, 0.0008697600000000 ] - [ 0.0046399500000000, -0.0007165300000000, -0.0010216000000000 ] - [ -0.0008191500000000, -0.0000907300000000, -0.0007626000000000 ] - [ -0.0003490500000000, 0.0007067300000000, 0.0007551800000000 ] - [ 0.0008972600000000, -0.0002984500000000, 0.0001247700000000 ] - [ 0.0002408900000000, -0.0003717000000000, -0.0000921200000000 ] - [ 0.0010083800000000, -0.0010936900000000, 0.0002510600000000 ] - [ 0.0003547700000000, 0.0004074200000000, -0.0001618100000000 ] - [ -0.0019142400000000, 0.0025378500000000, -0.0082429000000000 ] - [ 0.0028515700000000, -0.0027638500000000, 0.0048022500000000 ] - [ -0.0026931500000000, 0.0000278900000000, -0.0023565500000000 ] - [ 0.0007891700000000, -0.0003323900000000, 0.0007630200000000 ] - [ 0.0010162200000000, 0.0005066500000000, -0.0015573500000000 ] - [ 0.0018242100000000, -0.0007810900000000, -0.0000179700000000 ] - [ 0.0006377000000000, 0.0000217700000000, -0.0008498900000000 ] - [ 0.0016882700000000, -0.0001655200000000, -0.0007789300000000 ] - [ 0.0177602000000000, -0.0112211400000000, -0.0001199900000000 ] - [ 0.0238476200000000, 0.0216355000000000, 0.0045665600000000 ] - [ -0.0006445200000000, 0.0002966900000000, 0.0006781300000000 ] - [ -0.0016333300000000, -0.0003284300000000, 0.0007557700000000 ] - [ -0.0002347800000000, 0.0003748800000000, -0.0001883000000000 ] - [ -0.0000490500000000, 0.0005676300000000, -0.0005082600000000 ] - [ 0.0070875900000000, -0.0026648000000000, -0.0027264600000000 ] - [ -0.0019752300000000, -0.0005493700000000, -0.0004743700000000 ] - [ -0.0007569700000000, 0.0006723200000000, 0.0003033500000000 ] - [ 0.0001584400000000, 0.0007498100000000, -0.0015075500000000 ] - [ 0.0021609400000000, 0.0001287700000000, -0.0006237400000000 ] - [ -0.0009411100000000, 0.0008608700000000, -0.0005009000000000 ] - [ -0.0009616800000000, -0.0002441900000000, 0.0006501600000000 ] - [ 0.0000730100000000, -0.0007081400000000, -0.0008589200000000 ] - [ 0.0011151200000000, 0.0000804500000000, -0.0002293900000000 ] - [ -0.0014064400000000, -0.0007902800000000, 0.0002144000000000 ] - [ -0.0022767600000000, -0.0003087200000000, 0.0006133400000000 ] - [ -0.0015968700000000, -0.0005712700000000, 0.0000969800000000 ] - [ -0.0015107900000000, -0.0003460700000000, 0.0003333500000000 ] - [ -0.0025598400000000, -0.0002521900000000, 0.0008180500000000 ] - [ 0.0018006000000000, 0.0000341300000000, 0.0009520900000000 ] - [ 0.0023732800000000, -0.0006155700000000, -0.0015984100000000 ] - [ 0.0032425700000000, 0.0018129500000000, -0.0042728800000000 ] - [ 0.0008889900000000, -0.0008272800000000, 0.0017078500000000 ] - [ 0.0085974000000000, 0.0050540200000000, 0.0007468100000000 ] - [ -0.0036652400000000, 0.0017411400000000, -0.0008129200000000 ] - [ 0.0001717700000000, -0.0002110400000000, -0.0000952100000000 ] - [ 0.0000370000000000, -0.0001946300000000, -0.0004461900000000 ] - [ 0.0007266900000000, -0.0003496800000000, 0.0000058300000000 ] - [ -0.0014765000000000, -0.0003430200000000, -0.0002057200000000 ] - [ -0.0000046600000000, 0.0002661800000000, 0.0003118000000000 ] - [ -0.0001544500000000, 0.0000499800000000, -0.0003025100000000 ] - [ 0.0002030500000000, -0.0004103600000000, 0.0000425200000000 ] - [ 0.0008025900000000, -0.0006196200000000, 0.0001735600000000 ] - [ 0.0024075200000000, -0.0037438100000000, -0.0009015000000000 ] - [ -0.0015657500000000, 0.0009401400000000, 0.0004200300000000 ] - [ -0.0015145700000000, 0.0005148600000000, -0.0002975500000000 ] - [ 0.0055373300000000, 0.0006865100000000, -0.0028774600000000 ] - [ 0.0001130700000000, 0.0000992800000000, -0.0002650100000000 ] - [ -0.0000013400000000, 0.0001504800000000, 0.0002777200000000 ] - [ -0.0007553600000000, -0.0005572400000000, 0.0001535200000000 ] - [ 0.0005542900000000, 0.0001485300000000, 0.0001064000000000 ] - [ -0.0000759100000000, -0.0002841600000000, 0.0001374500000000 ] - [ -0.0001618000000000, -0.0001004300000000, 0.0004095400000000 ] - [ -0.0002270000000000, 0.0005740800000000, 0.0006845700000000 ] - [ 0.0001771200000000, 0.0005971300000000, 0.0005599800000000 ] - [ 0.0008426300000000, 0.0007716600000000, 0.0004905000000000 ] - [ -0.0001823000000000, 0.0003681000000000, 0.0007655700000000 ] - [ -0.0007171600000000, 0.0012149500000000, 0.0001711700000000 ] - [ 0.0010468600000000, -0.0000725800000000, 0.0003746800000000 ] - [ -0.0002444200000000, 0.0012420700000000, -0.0004134500000000 ] - [ 0.0002459900000000, 0.0001658300000000, 0.0006706200000000 ] - [ 0.0002503500000000, -0.0005753300000000, -0.0001864800000000 ] - [ -0.0006018900000000, -0.0002436000000000, -0.0005649700000000 ] - [ 0.0000670600000000, -0.0005996800000000, -0.0002148200000000 ] - [ -0.0004134900000000, -0.0002568500000000, -0.0004599800000000 ] - [ 0.0048974700000000, 0.0032919500000000, -0.0023572200000000 ] - [ -0.0052035300000000, -0.0039490800000000, 0.0005478500000000 ] - [ -0.0000734700000000, -0.0005486800000000, -0.0004291500000000 ] - [ 0.0001135900000000, -0.0006119900000000, -0.0008201000000000 ] - [ 0.0010623600000000, 0.0006446100000000, 0.0007581300000000 ] - [ -0.0010188400000000, -0.0002659800000000, -0.0010481300000000 ] - [ 0.0004810000000000, 0.0002277300000000, 0.0008304400000000 ] - [ -0.0004046900000000, -0.0000372900000000, -0.0008608100000000 ] - [ 0.0015254600000000, -0.0013765500000000, 0.0016337500000000 ] - [ -0.0010155800000000, 0.0007750400000000, -0.0013610200000000 ] - [ 0.0002694000000000, 0.0000227200000000, 0.0022941500000000 ] - [ -0.0004747200000000, -0.0001637600000000, -0.0008967900000000 ] - [ 0.0447080400000000, -0.0015361300000000, -0.0045906700000000 ] - [ -0.0074868100000000, 0.0011203600000000, -0.0013687400000000 ] - [ -0.0004839300000000, 0.0004086600000000, 0.0000696500000000 ] - [ -0.0004533600000000, 0.0005568700000000, -0.0001631000000000 ] - [ -0.0001004100000000, -0.0002546600000000, -0.0002396300000000 ] - [ 0.0002695300000000, -0.0000214800000000, 0.0001817700000000 ] - [ -0.0005354700000000, 0.0006664400000000, -0.0001480600000000 ] - [ 0.0006212000000000, -0.0006872900000000, 0.0001387800000000 ] - [ -0.0001517300000000, 0.0002826800000000, 0.0001728400000000 ] - [ -0.0000495600000000, 0.0001107500000000, 0.0003629400000000 ] - [ -0.0004966600000000, 0.0001543600000000, 0.0001976600000000 ] - [ 0.0004774400000000, 0.0001389900000000, 0.0004872000000000 ] - [ -0.0021416900000000, -0.0001707200000000, 0.0005453400000000 ] - [ -0.0022588700000000, 0.0004980800000000, 0.0001783100000000 ] - [ -0.0020775000000000, 0.0002978400000000, 0.0003717600000000 ] - [ -0.0020844300000000, 0.0003851900000000, 0.0004044400000000 ] - [ -0.0018255900000000, 0.0019225600000000, 0.0076674500000000 ] - [ -0.0000208600000000, -0.0013416000000000, -0.0071365600000000 ] - [ 0.0025039400000000, 0.0000148200000000, -0.0004745800000000 ] - [ 0.0018250500000000, 0.0005365700000000, -0.0002951300000000 ] - [ 0.0002577100000000, 0.0004772400000000, 0.0001190800000000 ] - [ 0.0005620300000000, 0.0005002100000000, -0.0000937200000000 ] - [ 0.0006704500000000, 0.0006174800000000, 0.0000358600000000 ] - [ 0.0003002700000000, 0.0004278000000000, 0.0001207700000000 ] - [ -0.0013015600000000, -0.0009565100000000, 0.0013731500000000 ] - [ 0.0010226500000000, 0.0005035000000000, -0.0015188300000000 ] - [ 0.0004139400000000, -0.0006231600000000, 0.0004522600000000 ] - [ -0.0004114300000000, -0.0005409800000000, 0.0008222900000000 ] - [ -0.0064417300000000, -0.0031087800000000, -0.0007573500000000 ] - [ 0.0264721000000000, -0.0109526200000000, -0.0065531600000000 ] - [ 0.0000265800000000, -0.0006508000000000, 0.0001640100000000 ] - [ 0.0002586400000000, -0.0002995400000000, 0.0005738400000000 ]- atom: 1 displacement: [ -0.0099996083916704, 0.0000000000000000, 0.0000884986623371 ] forces: - [ 0.1172238900000000, -0.0060790100000000, -0.0173925200000000 ] - [ -0.0051597100000000, 0.0002264000000000, 0.0007372500000000 ] - [ 0.0000603000000000, -0.0000543000000000, 0.0006286000000000 ] - [ 0.0000303100000000, 0.0000613600000000, -0.0001396200000000 ] - [ -0.0006531300000000, 0.0000983000000000, -0.0005374800000000 ] - [ 0.0005928900000000, -0.0001874800000000, -0.0003343600000000 ] - [ -0.0000103500000000, 0.0003034900000000, -0.0005100200000000 ] - [ -0.0000559500000000, -0.0000865100000000, 0.0000748200000000 ] - [ 0.0007926300000000, 0.0007589300000000, 0.0008379600000000 ] - [ -0.0007890700000000, -0.0005546200000000, -0.0004655600000000 ] - [ 0.0007906500000000, -0.0004081200000000, 0.0007881300000000 ] - [ -0.0007860400000000, 0.0002437000000000, -0.0001323300000000 ] - [ -0.0001455100000000, 0.0001120900000000, -0.0007289600000000 ] - [ -0.0000036800000000, -0.0001673500000000, 0.0003423600000000 ] - [ -0.0016476700000000, -0.0025273500000000, -0.0016806300000000 ] - [ -0.0016888800000000, 0.0083521500000000, 0.0048836200000000 ] - [ 0.0008794400000000, -0.0000698000000000, -0.0004751300000000 ] - [ 0.0014355400000000, 0.0000490900000000, -0.0009218800000000 ] - [ 0.0054726900000000, -0.0054478500000000, -0.0021548800000000 ] - [ -0.0013053900000000, 0.0002073800000000, -0.0007154800000000 ] - [ -0.0044661300000000, 0.0016695400000000, 0.0033251500000000 ] - [ 0.0023767700000000, -0.0015663000000000, -0.0025311200000000 ] - [ 0.0008233600000000, 0.0000752300000000, -0.0031126700000000 ] - [ -0.0021953600000000, 0.0000759700000000, 0.0025413200000000 ] - [ -0.0018502000000000, 0.0003230200000000, 0.0004221300000000 ] - [ 0.0037296200000000, 0.0016519800000000, -0.0042611100000000 ] - [ 0.0012403100000000, 0.0000740300000000, -0.0009913900000000 ] - [ -0.0002358100000000, 0.0004511500000000, 0.0007763200000000 ] - [ 0.0067293700000000, 0.0031181300000000, -0.0009226700000000 ] - [ -0.0057858200000000, 0.0013808500000000, 0.0009631200000000 ] - [ -0.0003395500000000, 0.0007443300000000, 0.0007188300000000 ] - [ -0.0008093000000000, -0.0000526100000000, -0.0007988800000000 ] - [ 0.0002603400000000, -0.0003515900000000, -0.0000789100000000 ] - [ 0.0009187400000000, -0.0002795100000000, 0.0001349600000000 ] - [ 0.0001667100000000, 0.0004481700000000, -0.0002122900000000 ] - [ 0.0007868300000000, -0.0010545200000000, 0.0002046800000000 ] - [ 0.0007776900000000, -0.0032015500000000, 0.0082319100000000 ] - [ -0.0040049900000000, 0.0020973300000000, -0.0048248100000000 ] - [ 0.0015166300000000, -0.0006812800000000, 0.0023108900000000 ] - [ -0.0019467800000000, -0.0003219800000000, -0.0008111100000000 ] - [ 0.0012763700000000, -0.0005412600000000, 0.0000889500000000 ] - [ 0.0004485600000000, 0.0007513800000000, -0.0014478900000000 ] - [ 0.0016369500000000, -0.0000513500000000, -0.0006142300000000 ] - [ 0.0005950100000000, 0.0001341200000000, -0.0006933600000000 ] - [ -0.0202287300000000, 0.0112195500000000, 0.0016196500000000 ] - [ -0.0258887500000000, -0.0215616800000000, -0.0031716200000000 ] - [ -0.0016377600000000, -0.0003284300000000, 0.0007921000000000 ] - [ -0.0006481600000000, 0.0002955600000000, 0.0007120000000000 ] - [ -0.0000541200000000, 0.0005764500000000, -0.0005197200000000 ] - [ -0.0002376100000000, 0.0003855300000000, -0.0001993300000000 ] - [ -0.0074379900000000, 0.0038030200000000, 0.0021198600000000 ] - [ 0.0016874300000000, 0.0015041400000000, -0.0002324900000000 ] - [ 0.0007924800000000, 0.0005041600000000, -0.0015562600000000 ] - [ -0.0001121400000000, 0.0004284700000000, 0.0002516800000000 ] - [ -0.0021169800000000, 0.0010491700000000, -0.0006427300000000 ] - [ 0.0009786400000000, 0.0003166800000000, -0.0007498400000000 ] - [ 0.0000045900000000, -0.0007422500000000, -0.0007594900000000 ] - [ -0.0010247400000000, -0.0002777600000000, 0.0007466600000000 ] - [ -0.0020773200000000, -0.0010679100000000, 0.0001190200000000 ] - [ 0.0004472500000000, -0.0001965300000000, -0.0003214300000000 ] - [ -0.0018848800000000, -0.0003629300000000, 0.0001131700000000 ] - [ -0.0025546900000000, -0.0001112500000000, 0.0006425400000000 ] - [ -0.0026581500000000, -0.0003323300000000, 0.0003708000000000 ] - [ -0.0016019200000000, -0.0004199000000000, -0.0000877400000000 ] - [ 0.0023589200000000, -0.0007069400000000, -0.0016796900000000 ] - [ 0.0017868100000000, -0.0000575300000000, 0.0008698600000000 ] - [ 0.0009039400000000, -0.0025030900000000, 0.0035703100000000 ] - [ 0.0032670800000000, 0.0001543100000000, -0.0024220700000000 ] - [ -0.0084786400000000, -0.0055817600000000, -0.0012777800000000 ] - [ 0.0038848200000000, -0.0021598300000000, 0.0002833900000000 ] - [ 0.0000397000000000, -0.0002017800000000, -0.0004364300000000 ] - [ 0.0001740900000000, -0.0002180200000000, -0.0000859700000000 ] - [ -0.0008900300000000, 0.0006661200000000, 0.0000430100000000 ] - [ 0.0013062100000000, 0.0006382200000000, 0.0002470300000000 ] - [ -0.0001596100000000, 0.0000338300000000, -0.0002685600000000 ] - [ -0.0000100500000000, 0.0002496500000000, 0.0003450100000000 ] - [ 0.0007528200000000, -0.0005750700000000, 0.0000658100000000 ] - [ 0.0001508500000000, -0.0003662600000000, -0.0000605800000000 ] - [ -0.0014747500000000, 0.0027946100000000, 0.0010193000000000 ] - [ 0.0025165400000000, -0.0019209300000000, -0.0003081300000000 ] - [ 0.0016761100000000, -0.0002126700000000, 0.0002517400000000 ] - [ -0.0053389900000000, -0.0003291600000000, 0.0026447800000000 ] - [ 0.0000481700000000, 0.0002025700000000, 0.0002202300000000 ] - [ 0.0001663500000000, 0.0001488300000000, -0.0003197900000000 ] - [ 0.0005440800000000, 0.0001449500000000, 0.0003785800000000 ] - [ -0.0007714900000000, -0.0005837000000000, 0.0004275000000000 ] - [ -0.0001385400000000, -0.0001301100000000, 0.0003937900000000 ] - [ -0.0000495500000000, -0.0003128600000000, 0.0001233900000000 ] - [ 0.0001882400000000, 0.0006021500000000, 0.0005667400000000 ] - [ -0.0002177900000000, 0.0005779400000000, 0.0006934400000000 ] - [ -0.0009034000000000, 0.0003958700000000, 0.0007650000000000 ] - [ 0.0001508300000000, 0.0008072200000000, 0.0004851700000000 ] - [ 0.0010034900000000, -0.0002636500000000, 0.0005350500000000 ] - [ -0.0007581800000000, 0.0010212700000000, 0.0003359100000000 ] - [ 0.0005319800000000, -0.0002926300000000, 0.0011238200000000 ] - [ 0.0000438800000000, 0.0007833000000000, 0.0000380300000000 ] - [ -0.0005426900000000, -0.0003763400000000, -0.0005208900000000 ] - [ 0.0003159800000000, -0.0007105500000000, -0.0001439400000000 ] - [ -0.0003536100000000, -0.0003532200000000, -0.0004928300000000 ] - [ 0.0001248600000000, -0.0006954000000000, -0.0002473000000000 ] - [ -0.0048810200000000, -0.0044991200000000, 0.0011195800000000 ] - [ 0.0052209800000000, 0.0027519700000000, -0.0017941200000000 ] - [ 0.0001124900000000, -0.0006276700000000, -0.0008228000000000 ] - [ -0.0000751000000000, -0.0005647400000000, -0.0004317300000000 ] - [ -0.0008550500000000, -0.0002284100000000, -0.0012914200000000 ] - [ 0.0012304500000000, 0.0006822400000000, 0.0005130400000000 ] - [ -0.0002655700000000, 0.0001895100000000, -0.0013580300000000 ] - [ 0.0006162300000000, 0.0004520900000000, 0.0003302300000000 ] - [ -0.0017019600000000, 0.0010806000000000, -0.0015926600000000 ] - [ 0.0008515300000000, -0.0010719600000000, 0.0013985500000000 ] - [ -0.0004289500000000, -0.0003202000000000, -0.0022423900000000 ] - [ 0.0003092900000000, -0.0001342300000000, 0.0009412900000000 ] - [ -0.0491526700000000, 0.0031656200000000, 0.0047577600000000 ] - [ 0.0065476900000000, -0.0001247600000000, 0.0012774700000000 ] - [ -0.0004727500000000, 0.0005778100000000, -0.0001792100000000 ] - [ -0.0005045600000000, 0.0004302800000000, 0.0000542800000000 ] - [ 0.0002634700000000, -0.0000466200000000, 0.0001954600000000 ] - [ -0.0001069300000000, -0.0002795000000000, -0.0002244200000000 ] - [ 0.0006922800000000, -0.0009737000000000, 0.0001044100000000 ] - [ -0.0004521900000000, 0.0003876500000000, -0.0001839500000000 ] - [ -0.0000588800000000, 0.0001289800000000, 0.0003594300000000 ] - [ -0.0001631400000000, 0.0003018900000000, 0.0001694700000000 ] - [ 0.0002812900000000, 0.0002598400000000, 0.0003345100000000 ] - [ -0.0006804000000000, 0.0002665200000000, 0.0000468300000000 ] - [ -0.0020235300000000, 0.0008448500000000, 0.0001848300000000 ] - [ -0.0018994500000000, 0.0001750300000000, 0.0005468300000000 ] - [ -0.0020826100000000, 0.0003742400000000, 0.0003532700000000 ] - [ -0.0020770500000000, 0.0002871900000000, 0.0003252600000000 ] - [ 0.0059825300000000, -0.0012381200000000, -0.0083900100000000 ] - [ 0.0041551100000000, 0.0019880500000000, 0.0063917500000000 ] - [ 0.0016559900000000, 0.0006586100000000, -0.0002537000000000 ] - [ 0.0023342300000000, 0.0001366900000000, -0.0004300100000000 ] - [ 0.0006943400000000, 0.0005077200000000, -0.0000102100000000 ] - [ 0.0003993100000000, 0.0004864900000000, 0.0002026800000000 ] - [ 0.0002868400000000, 0.0003678300000000, 0.0000714100000000 ] - [ 0.0006549300000000, 0.0005579000000000, -0.0000107100000000 ] - [ 0.0012624700000000, -0.0002163300000000, -0.0001233500000000 ] - [ -0.0010386800000000, -0.0016702800000000, 0.0027451200000000 ] - [ -0.0004536600000000, -0.0005525200000000, 0.0007980400000000 ] - [ 0.0003721300000000, -0.0006347200000000, 0.0004299800000000 ] - [ 0.0067083200000000, 0.0021530100000000, 0.0014542000000000 ] - [ -0.0238254400000000, 0.0098457600000000, 0.0066234400000000 ] - [ 0.0002615500000000, -0.0002996700000000, 0.0005434100000000 ] - [ 0.0000290000000000, -0.0006507500000000, 0.0001347200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0053837500000000, -0.0989792200000000, -0.0063635600000000 ] - [ -0.0001652100000000, -0.0001325900000000, 0.0003853600000000 ] - [ 0.0001157700000000, -0.0000958200000000, 0.0001963800000000 ] - [ 0.0000013900000000, -0.0003411800000000, 0.0004095800000000 ] - [ 0.0000362800000000, 0.0001816400000000, -0.0000496500000000 ] - [ -0.0002339900000000, 0.0026355100000000, 0.0018632500000000 ] - [ 0.0002398900000000, 0.0011631000000000, -0.0002092700000000 ] - [ -0.0001497000000000, 0.0002099500000000, -0.0003353900000000 ] - [ -0.0003412700000000, 0.0003912100000000, 0.0011969200000000 ] - [ 0.0003066900000000, 0.0002224600000000, 0.0003958100000000 ] - [ 0.0008125900000000, 0.0003921500000000, -0.0007915000000000 ] - [ -0.0004975000000000, 0.0002227400000000, 0.0001269600000000 ] - [ -0.0001737000000000, -0.0001810100000000, -0.0000847600000000 ] - [ 0.0001033000000000, -0.0000451100000000, -0.0004900100000000 ] - [ 0.0024535500000000, -0.0009925800000000, -0.0006468700000000 ] - [ -0.0083830500000000, 0.0009892500000000, 0.0033884900000000 ] - [ 0.0010445200000000, -0.0000398100000000, -0.0006978500000000 ] - [ 0.0012984100000000, 0.0001747400000000, -0.0015450900000000 ] - [ 0.0155808900000000, 0.0239756800000000, 0.0074800500000000 ] - [ 0.0008243700000000, 0.0003057100000000, -0.0008443700000000 ] - [ -0.0015631700000000, 0.0000338100000000, 0.0014108600000000 ] - [ 0.0002148900000000, -0.0014197000000000, 0.0038531100000000 ] - [ -0.0008375200000000, -0.0004987800000000, -0.0044532000000000 ] - [ -0.0009358900000000, -0.0001485600000000, 0.0000985100000000 ] - [ 0.0009781400000000, -0.0001568000000000, 0.0002358700000000 ] - [ -0.0024280600000000, 0.0052077300000000, -0.0081858500000000 ] - [ 0.0022178400000000, -0.0021908300000000, 0.0034771300000000 ] - [ 0.0001791500000000, 0.0001432100000000, 0.0000182400000000 ] - [ -0.0110275300000000, 0.0230612200000000, -0.0034123400000000 ] - [ -0.0003603700000000, 0.0009881600000000, -0.0001257800000000 ] - [ -0.0005217600000000, 0.0005622500000000, 0.0000969000000000 ] - [ -0.0003551700000000, 0.0008047200000000, 0.0002491400000000 ] - [ 0.0007520500000000, 0.0002574200000000, 0.0003338000000000 ] - [ 0.0006876500000000, 0.0000506700000000, 0.0000174400000000 ] - [ 0.0006144200000000, 0.0024551500000000, -0.0009827500000000 ] - [ 0.0029193700000000, 0.0052635400000000, 0.0001316600000000 ] - [ 0.0022662000000000, -0.0041694400000000, 0.0006315500000000 ] - [ -0.0009333400000000, -0.0019703700000000, 0.0009100200000000 ] - [ -0.0001268000000000, -0.0024470000000000, 0.0002503000000000 ] - [ -0.0002310300000000, -0.0016218600000000, -0.0001473500000000 ] - [ 0.0021243600000000, 0.0013069400000000, -0.0021307400000000 ] - [ -0.0000608700000000, 0.0019354100000000, -0.0005013800000000 ] - [ -0.0005878700000000, 0.0014107300000000, 0.0010395700000000 ] - [ 0.0014600600000000, 0.0002723400000000, -0.0009826400000000 ] - [ -0.0108820900000000, 0.0001486600000000, 0.0009357500000000 ] - [ 0.0098599100000000, -0.0022768100000000, -0.0012993500000000 ] - [ -0.0012018000000000, -0.0001934200000000, 0.0002754000000000 ] - [ -0.0012885400000000, -0.0003279600000000, 0.0007987500000000 ] - [ -0.0001599800000000, 0.0005514400000000, -0.0002914800000000 ] - [ 0.0000316200000000, 0.0006592800000000, -0.0003390200000000 ] - [ -0.0062144100000000, 0.0239375300000000, 0.0124114900000000 ] - [ 0.0000370800000000, 0.0008051800000000, -0.0002076000000000 ] - [ -0.0003436100000000, 0.0010364100000000, -0.0004514900000000 ] - [ 0.0002480600000000, 0.0014446700000000, -0.0006326000000000 ] - [ -0.0004011500000000, 0.0024955800000000, -0.0000923600000000 ] - [ -0.0000966700000000, 0.0009007400000000, -0.0004700000000000 ] - [ -0.0003262700000000, -0.0005300400000000, -0.0002810900000000 ] - [ -0.0007444200000000, -0.0005084300000000, -0.0003203600000000 ] - [ -0.0009130900000000, -0.0006411100000000, 0.0012848700000000 ] - [ -0.0006287600000000, -0.0005856300000000, 0.0000697100000000 ] - [ -0.0022474300000000, -0.0002531400000000, 0.0004530400000000 ] - [ -0.0015033600000000, -0.0010242700000000, 0.0014596600000000 ] - [ -0.0026695100000000, -0.0022177500000000, -0.0067743300000000 ] - [ -0.0020826700000000, -0.0004143800000000, 0.0005582200000000 ] - [ 0.0020468800000000, -0.0003884900000000, -0.0005939000000000 ] - [ 0.0019917800000000, -0.0003620100000000, -0.0011817300000000 ] - [ 0.0038977900000000, -0.0001066400000000, 0.0042937000000000 ] - [ 0.0017035700000000, -0.0003927800000000, 0.0003699000000000 ] - [ 0.0075093200000000, 0.0251835400000000, 0.0022650100000000 ] - [ 0.0004080600000000, -0.0005891100000000, -0.0001663000000000 ] - [ 0.0001035700000000, -0.0002361400000000, -0.0002454400000000 ] - [ 0.0001139600000000, -0.0002162900000000, -0.0002123900000000 ] - [ -0.0021406900000000, -0.0068782300000000, -0.0033795300000000 ] - [ -0.0001860900000000, -0.0001051300000000, -0.0001879600000000 ] - [ -0.0001195200000000, 0.0000396400000000, -0.0000260200000000 ] - [ -0.0002167400000000, -0.0001200500000000, -0.0000378800000000 ] - [ 0.0004320400000000, -0.0004127500000000, 0.0000134300000000 ] - [ 0.0003524500000000, -0.0005081200000000, 0.0004160000000000 ] - [ -0.0051069600000000, -0.0008137900000000, -0.0014051600000000 ] - [ 0.0010375300000000, -0.0005613100000000, 0.0000686200000000 ] - [ -0.0000399000000000, 0.0004709400000000, -0.0004235900000000 ] - [ 0.0001237100000000, 0.0066281100000000, -0.0054435400000000 ] - [ -0.0003871100000000, 0.0010583700000000, -0.0009718100000000 ] - [ 0.0000725500000000, 0.0003135200000000, -0.0001064600000000 ] - [ -0.0001140000000000, -0.0001091400000000, 0.0002405700000000 ] - [ -0.0006598100000000, -0.0020727700000000, 0.0010028100000000 ] - [ -0.0005280300000000, -0.0002952900000000, -0.0001362600000000 ] - [ 0.0001341800000000, -0.0000962900000000, 0.0003205200000000 ] - [ 0.0000304100000000, 0.0004677500000000, 0.0005518500000000 ] - [ -0.0001325000000000, 0.0003121300000000, 0.0006829600000000 ] - [ -0.0017012300000000, -0.0045061700000000, 0.0012284700000000 ] - [ -0.0001558800000000, -0.0002889400000000, 0.0008371000000000 ] - [ 0.0002137800000000, 0.0003361800000000, 0.0003264100000000 ] - [ -0.0001982900000000, 0.0007531200000000, -0.0008361300000000 ] - [ 0.0009780300000000, -0.0006736200000000, 0.0011308100000000 ] - [ 0.0001253300000000, 0.0003640000000000, 0.0005611200000000 ] - [ 0.0002858300000000, -0.0017795800000000, -0.0005235100000000 ] - [ 0.0000487100000000, -0.0011146100000000, -0.0004040400000000 ] - [ 0.0001340300000000, -0.0012934800000000, -0.0000929600000000 ] - [ -0.0000191100000000, -0.0009101200000000, -0.0002628900000000 ] - [ 0.0067474500000000, -0.0016737200000000, -0.0019604000000000 ] - [ 0.0000276100000000, -0.0007954600000000, -0.0005936800000000 ] - [ 0.0000216900000000, -0.0006959100000000, -0.0006059400000000 ] - [ 0.0000806100000000, -0.0006649800000000, -0.0006491900000000 ] - [ 0.0002729700000000, 0.0015730300000000, -0.0005376500000000 ] - [ 0.0001700200000000, 0.0005709800000000, -0.0002914800000000 ] - [ 0.0000889600000000, 0.0010087900000000, 0.0002522900000000 ] - [ 0.0007078000000000, 0.0009980300000000, 0.0002001800000000 ] - [ -0.0013698900000000, 0.0005082800000000, 0.0000495500000000 ] - [ -0.0001678900000000, 0.0002060100000000, -0.0003613600000000 ] - [ 0.0003668800000000, 0.0009411200000000, -0.0013673800000000 ] - [ -0.0008679400000000, 0.0005785100000000, -0.0004586900000000 ] - [ -0.0037740600000000, 0.0028295000000000, 0.0001640800000000 ] - [ -0.0009453500000000, 0.0014088600000000, -0.0003634600000000 ] - [ -0.0006325500000000, 0.0006304900000000, 0.0000272400000000 ] - [ -0.0005913600000000, 0.0006676800000000, -0.0001122900000000 ] - [ -0.0000654600000000, -0.0003700900000000, -0.0002131900000000 ] - [ 0.0000379300000000, -0.0003314300000000, -0.0001949000000000 ] - [ -0.0004135200000000, -0.0010418900000000, -0.0002517000000000 ] - [ -0.0025913800000000, -0.0030976800000000, -0.0001217000000000 ] - [ 0.0000097200000000, 0.0000262900000000, 0.0003089500000000 ] - [ -0.0001017200000000, 0.0000414700000000, 0.0003477600000000 ] - [ -0.0001688500000000, -0.0010000200000000, 0.0007004900000000 ] - [ 0.0021581400000000, -0.0042299200000000, 0.0010157000000000 ] - [ -0.0031807400000000, -0.0008740700000000, 0.0017450400000000 ] - [ -0.0020632700000000, -0.0002419800000000, -0.0001349900000000 ] - [ -0.0020531000000000, 0.0000635200000000, -0.0003016800000000 ] - [ -0.0022536800000000, 0.0002226400000000, 0.0005822300000000 ] - [ 0.0025066600000000, 0.0009712100000000, -0.0021024700000000 ] - [ -0.0001348800000000, 0.0010609400000000, -0.0007587500000000 ] - [ 0.0016804200000000, 0.0006541700000000, 0.0003288400000000 ] - [ 0.0019859600000000, 0.0004753400000000, -0.0002682800000000 ] - [ -0.0001202000000000, -0.0000153500000000, 0.0000983200000000 ] - [ 0.0000750300000000, -0.0003377300000000, -0.0003034300000000 ] - [ 0.0005844100000000, -0.0000412400000000, -0.0004624500000000 ] - [ 0.0003872000000000, 0.0003812500000000, 0.0001013100000000 ] - [ -0.0003380600000000, -0.0003462200000000, 0.0006935000000000 ] - [ 0.0026283800000000, -0.0015304000000000, 0.0017297300000000 ] - [ 0.0002821100000000, -0.0002293500000000, 0.0000590600000000 ] - [ 0.0000763700000000, -0.0005298300000000, 0.0006106700000000 ] - [ 0.0022433500000000, 0.0014044300000000, 0.0009218000000000 ] - [ -0.0030102900000000, 0.0079847200000000, 0.0016924900000000 ] - [ 0.0003243900000000, -0.0001695600000000, 0.0003807200000000 ] - [ 0.0001678000000000, -0.0002802100000000, 0.0004295500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0059810600000000, 0.0983893900000000, 0.0080899600000000 ] - [ 0.0002576100000000, 0.0001671000000000, 0.0000650900000000 ] - [ -0.0000230700000000, 0.0001283000000000, 0.0002520200000000 ] - [ 0.0000907900000000, 0.0003730700000000, 0.0000386700000000 ] - [ -0.0001312900000000, -0.0001505300000000, -0.0003982500000000 ] - [ 0.0001423400000000, -0.0025976800000000, -0.0023058800000000 ] - [ -0.0003337700000000, -0.0011298100000000, -0.0002430700000000 ] - [ 0.0000571000000000, -0.0001784400000000, -0.0001148000000000 ] - [ 0.0004295600000000, -0.0004237000000000, -0.0007429500000000 ] - [ -0.0002127300000000, -0.0002533900000000, 0.0000524500000000 ] - [ -0.0007158400000000, -0.0004228400000000, 0.0012358000000000 ] - [ 0.0005868500000000, -0.0002529200000000, 0.0003201800000000 ] - [ 0.0000799300000000, 0.0001516100000000, -0.0003668400000000 ] - [ -0.0001956000000000, 0.0000164500000000, 0.0000367100000000 ] - [ -0.0025556600000000, 0.0009747100000000, 0.0002007400000000 ] - [ 0.0083468900000000, -0.0010062600000000, -0.0038729800000000 ] - [ 0.0012397500000000, 0.0000779800000000, -0.0007691800000000 ] - [ 0.0009858600000000, -0.0001366800000000, 0.0000707900000000 ] - [ -0.0133069300000000, -0.0241224000000000, -0.0090294400000000 ] - [ 0.0014585900000000, -0.0002635900000000, -0.0006194500000000 ] - [ -0.0007161000000000, -0.0000035600000000, 0.0000474000000000 ] - [ -0.0024853500000000, 0.0014411200000000, -0.0023781900000000 ] - [ -0.0014409400000000, 0.0005259600000000, 0.0059019200000000 ] - [ -0.0013487900000000, 0.0001839500000000, 0.0013700900000000 ] - [ 0.0001781200000000, 0.0008162300000000, -0.0001912200000000 ] - [ 0.0035725000000000, -0.0045004500000000, 0.0083017800000000 ] - [ -0.0010634700000000, 0.0028513300000000, -0.0034395400000000 ] - [ 0.0009762100000000, 0.0005133400000000, 0.0000266800000000 ] - [ 0.0098944400000000, -0.0221900400000000, 0.0033398100000000 ] - [ -0.0007986900000000, -0.0003446900000000, 0.0000842900000000 ] - [ -0.0006364300000000, 0.0000898800000000, -0.0001451300000000 ] - [ -0.0008019300000000, -0.0001504300000000, -0.0002952900000000 ] - [ 0.0004037800000000, -0.0009090700000000, -0.0002908800000000 ] - [ 0.0004686000000000, -0.0007015600000000, 0.0000271400000000 ] - [ 0.0005190900000000, -0.0031104200000000, 0.0010340500000000 ] - [ -0.0017438200000000, -0.0059176600000000, -0.0000775800000000 ] - [ -0.0034102500000000, 0.0035116900000000, -0.0006999300000000 ] - [ -0.0002281100000000, 0.0013238600000000, -0.0009630300000000 ] - [ -0.0010345500000000, 0.0017991800000000, -0.0002920700000000 ] - [ -0.0009292400000000, 0.0009713300000000, 0.0001009900000000 ] - [ 0.0001528100000000, -0.0013365100000000, 0.0006782800000000 ] - [ 0.0023452500000000, -0.0019650900000000, -0.0009579000000000 ] - [ 0.0028744800000000, -0.0014444800000000, -0.0025115800000000 ] - [ 0.0008212400000000, -0.0003047100000000, -0.0004863500000000 ] - [ 0.0085782600000000, -0.0002312100000000, 0.0005273400000000 ] - [ -0.0121514800000000, 0.0021433700000000, 0.0027447100000000 ] - [ -0.0010806800000000, 0.0001598000000000, 0.0011866500000000 ] - [ -0.0009967300000000, 0.0002920300000000, 0.0006661600000000 ] - [ -0.0001263400000000, 0.0003999200000000, -0.0004158200000000 ] - [ -0.0003160200000000, 0.0002939400000000, -0.0003676900000000 ] - [ 0.0060674400000000, -0.0250470400000000, -0.0142658500000000 ] - [ -0.0003240900000000, 0.0001409300000000, -0.0005019800000000 ] - [ 0.0003744000000000, 0.0001429100000000, -0.0007948100000000 ] - [ -0.0002137100000000, -0.0002646900000000, -0.0006166400000000 ] - [ 0.0004361500000000, -0.0013172500000000, -0.0011681200000000 ] - [ 0.0001341700000000, 0.0002761900000000, -0.0007829600000000 ] - [ -0.0006245200000000, -0.0004530900000000, 0.0001745500000000 ] - [ -0.0002097100000000, -0.0004759500000000, 0.0002129500000000 ] - [ -0.0000365300000000, -0.0003425900000000, -0.0013886100000000 ] - [ -0.0003216400000000, -0.0003986000000000, -0.0001783900000000 ] - [ -0.0019100400000000, -0.0004216900000000, 0.0002692900000000 ] - [ -0.0026468300000000, 0.0003401100000000, -0.0007263800000000 ] - [ -0.0014964400000000, 0.0015411600000000, 0.0075009400000000 ] - [ -0.0020753600000000, -0.0002601100000000, 0.0001652500000000 ] - [ 0.0021105200000000, -0.0002831600000000, -0.0001241500000000 ] - [ 0.0021657200000000, -0.0003104000000000, 0.0004580400000000 ] - [ 0.0002736600000000, -0.0005648600000000, -0.0049953200000000 ] - [ 0.0024546700000000, -0.0002785700000000, -0.0010952800000000 ] - [ -0.0068810100000000, -0.0231331500000000, -0.0029241100000000 ] - [ -0.0002019300000000, 0.0001826600000000, -0.0003675800000000 ] - [ 0.0001081100000000, -0.0001772700000000, -0.0002854100000000 ] - [ 0.0000974400000000, -0.0001979100000000, -0.0003185100000000 ] - [ 0.0019643600000000, 0.0072094200000000, 0.0034215800000000 ] - [ 0.0000253800000000, 0.0004144000000000, 0.0002330100000000 ] - [ -0.0000455700000000, 0.0002659800000000, 0.0000723300000000 ] - [ 0.0000514700000000, 0.0004250600000000, 0.0000836200000000 ] - [ 0.0005194800000000, -0.0005732000000000, 0.0000953400000000 ] - [ 0.0005979400000000, -0.0004785200000000, -0.0003034600000000 ] - [ 0.0060857500000000, -0.0001534500000000, 0.0015211500000000 ] - [ -0.0000865800000000, -0.0004281800000000, 0.0000398600000000 ] - [ 0.0002057600000000, -0.0001695500000000, 0.0003817900000000 ] - [ 0.0000416800000000, -0.0063032400000000, 0.0054554400000000 ] - [ 0.0005529600000000, -0.0007555000000000, 0.0009305800000000 ] - [ 0.0000934300000000, -0.0000105600000000, 0.0000634600000000 ] - [ -0.0000991800000000, -0.0003082000000000, 0.0002904700000000 ] - [ 0.0004371800000000, 0.0016422700000000, -0.0004950200000000 ] - [ 0.0003155800000000, -0.0001207000000000, 0.0006689600000000 ] - [ -0.0003469900000000, -0.0003205400000000, 0.0002116400000000 ] - [ -0.0000670400000000, 0.0007100300000000, 0.0007003200000000 ] - [ 0.0000953200000000, 0.0008644900000000, 0.0005689700000000 ] - [ 0.0016843600000000, 0.0056838800000000, 0.0000168200000000 ] - [ 0.0001135800000000, 0.0014651900000000, 0.0004148500000000 ] - [ 0.0000703300000000, 0.0006190400000000, 0.0003810300000000 ] - [ 0.0004797000000000, 0.0002035500000000, 0.0015360600000000 ] - [ -0.0006919200000000, 0.0016256500000000, -0.0004202200000000 ] - [ 0.0001583800000000, 0.0005904400000000, 0.0001467400000000 ] - [ -0.0005708500000000, 0.0008289500000000, -0.0001870600000000 ] - [ -0.0003352800000000, 0.0001651700000000, -0.0003043100000000 ] - [ -0.0004198500000000, 0.0003435800000000, -0.0006130400000000 ] - [ -0.0002643600000000, -0.0000409900000000, -0.0004434100000000 ] - [ -0.0066714000000000, 0.0004877800000000, 0.0007134700000000 ] - [ 0.0000110200000000, -0.0003721800000000, -0.0006597800000000 ] - [ 0.0000137700000000, -0.0004788100000000, -0.0006446800000000 ] - [ -0.0000443900000000, -0.0005097500000000, -0.0006020500000000 ] - [ -0.0000572600000000, -0.0011465200000000, 0.0000056200000000 ] - [ 0.0000417400000000, -0.0001524200000000, -0.0002394300000000 ] - [ 0.0001227300000000, -0.0005873900000000, -0.0007846600000000 ] - [ -0.0004934600000000, -0.0005777100000000, -0.0007315700000000 ] - [ 0.0011999700000000, -0.0008139700000000, 0.0000046000000000 ] - [ 0.0000030700000000, -0.0005087300000000, 0.0004078200000000 ] - [ -0.0005354000000000, -0.0012488600000000, 0.0014143000000000 ] - [ 0.0007049000000000, -0.0008826800000000, 0.0005040200000000 ] - [ 0.0030904300000000, -0.0019011500000000, -0.0002926400000000 ] - [ 0.0000162600000000, -0.0004168100000000, 0.0002612200000000 ] - [ -0.0003202400000000, 0.0003583200000000, -0.0001348100000000 ] - [ -0.0003599100000000, 0.0003211200000000, 0.0000046300000000 ] - [ 0.0002299500000000, 0.0000682800000000, 0.0001695000000000 ] - [ 0.0001273300000000, 0.0000296900000000, 0.0001507200000000 ] - [ 0.0005837400000000, 0.0007465100000000, 0.0002093100000000 ] - [ 0.0027474000000000, 0.0027906300000000, 0.0000749300000000 ] - [ -0.0002206600000000, 0.0003895300000000, 0.0002235400000000 ] - [ -0.0001103600000000, 0.0003747000000000, 0.0001841000000000 ] - [ -0.0000366500000000, 0.0014145200000000, -0.0001686000000000 ] - [ -0.0023792300000000, 0.0046579800000000, -0.0004823400000000 ] - [ -0.0009747900000000, 0.0015536500000000, -0.0010285900000000 ] - [ -0.0020966000000000, 0.0009160700000000, 0.0008530300000000 ] - [ -0.0021055600000000, 0.0006132200000000, 0.0010281500000000 ] - [ -0.0019048100000000, 0.0004534800000000, 0.0001433600000000 ] - [ 0.0016381900000000, -0.0002827700000000, 0.0014025200000000 ] - [ 0.0042865700000000, -0.0003706100000000, 0.0000534500000000 ] - [ 0.0024760300000000, 0.0000232600000000, -0.0010491400000000 ] - [ 0.0021727500000000, 0.0002009900000000, -0.0004539400000000 ] - [ 0.0010746700000000, 0.0010045500000000, 0.0000079800000000 ] - [ 0.0008724300000000, 0.0013235800000000, 0.0004086600000000 ] - [ 0.0003655100000000, 0.0010286300000000, 0.0005723300000000 ] - [ 0.0005640700000000, 0.0006071700000000, 0.0000079000000000 ] - [ 0.0003027400000000, -0.0008330700000000, 0.0005574600000000 ] - [ -0.0026598200000000, 0.0003480000000000, -0.0005024000000000 ] - [ -0.0003190300000000, -0.0009468000000000, 0.0011939500000000 ] - [ -0.0001123600000000, -0.0006453800000000, 0.0006408500000000 ] - [ -0.0019791100000000, -0.0023601900000000, -0.0002200600000000 ] - [ 0.0031163600000000, -0.0088683900000000, -0.0009500200000000 ] - [ -0.0000390600000000, -0.0007791600000000, 0.0003284000000000 ] - [ 0.0001178400000000, -0.0006678400000000, 0.0002798300000000 ]- atom: 1 displacement: [ -0.0045611250918810, 0.0000000000000000, 0.0088992211960493 ] forces: - [ 0.0683397300000000, -0.0083796500000000, -0.0678998100000000 ] - [ -0.0027875500000000, 0.0002549800000000, -0.0002262700000000 ] - [ -0.0002987200000000, -0.0000414600000000, 0.0014054500000000 ] - [ 0.0003726200000000, 0.0002003800000000, 0.0013003500000000 ] - [ -0.0000492300000000, -0.0001019900000000, -0.0009162300000000 ] - [ 0.0003299900000000, -0.0019284500000000, -0.0015862000000000 ] - [ 0.0002314800000000, 0.0001314800000000, 0.0005881100000000 ] - [ -0.0003120000000000, 0.0000656300000000, 0.0003847100000000 ] - [ -0.0001116900000000, 0.0012395800000000, 0.0007468400000000 ] - [ -0.0000170200000000, -0.0001761800000000, 0.0000911900000000 ] - [ -0.0001543000000000, -0.0010477300000000, 0.0007272200000000 ] - [ 0.0002812300000000, -0.0000490100000000, 0.0002479400000000 ] - [ 0.0003637700000000, 0.0001677200000000, 0.0004331400000000 ] - [ -0.0005166300000000, -0.0003182600000000, 0.0015517100000000 ] - [ 0.0005084100000000, -0.0015334700000000, -0.0016140400000000 ] - [ -0.0053279800000000, 0.0069980600000000, 0.0013144100000000 ] - [ 0.0004658000000000, -0.0002396600000000, 0.0004620200000000 ] - [ 0.0013638100000000, -0.0000595700000000, 0.0025470600000000 ] - [ 0.0084866900000000, 0.0054806800000000, -0.0002789800000000 ] - [ -0.0000160100000000, 0.0001956500000000, -0.0017361600000000 ] - [ -0.0032665700000000, 0.0017617300000000, 0.0020179900000000 ] - [ 0.0020317900000000, 0.0021015200000000, 0.0016606600000000 ] - [ 0.0012647900000000, -0.0026533500000000, 0.0026947600000000 ] - [ -0.0025716000000000, -0.0002101900000000, 0.0018188200000000 ] - [ -0.0009467800000000, -0.0000466000000000, 0.0002870500000000 ] - [ 0.0109461000000000, -0.0135665500000000, 0.0086237900000000 ] - [ 0.0029687800000000, 0.0006941400000000, 0.0021472500000000 ] - [ -0.0011964500000000, 0.0011576900000000, 0.0006418800000000 ] - [ 0.0036526600000000, -0.0033255900000000, -0.0017436600000000 ] - [ -0.0034519100000000, 0.0008907700000000, -0.0001378600000000 ] - [ -0.0007829500000000, 0.0006284100000000, 0.0012395600000000 ] - [ 0.0000465800000000, 0.0003671600000000, 0.0010801000000000 ] - [ 0.0010463100000000, -0.0002208300000000, 0.0012757500000000 ] - [ 0.0004859100000000, -0.0002852300000000, 0.0012266100000000 ] - [ 0.0016614700000000, -0.0001835700000000, -0.0022958400000000 ] - [ -0.0007673100000000, -0.0009353800000000, -0.0018725900000000 ] - [ -0.0093344000000000, 0.0005706400000000, 0.0065694700000000 ] - [ 0.0005993000000000, 0.0018650700000000, -0.0031381900000000 ] - [ -0.0032296800000000, -0.0005857300000000, 0.0048140700000000 ] - [ -0.0002906500000000, -0.0007336300000000, 0.0005195700000000 ] - [ -0.0009167400000000, -0.0010796700000000, -0.0018872300000000 ] - [ 0.0035708400000000, -0.0026866900000000, -0.0026449900000000 ] - [ 0.0003656000000000, 0.0008059200000000, 0.0011285600000000 ] - [ 0.0012219100000000, 0.0001916600000000, 0.0004901600000000 ] - [ -0.0074020000000000, 0.0044039100000000, -0.0009788700000000 ] - [ -0.0154558900000000, -0.0140658500000000, -0.0079007100000000 ] - [ -0.0014099300000000, -0.0001429600000000, 0.0028812000000000 ] - [ -0.0011034500000000, 0.0003535300000000, 0.0024682100000000 ] - [ 0.0001097500000000, 0.0005119000000000, -0.0009258300000000 ] - [ -0.0009258300000000, -0.0002805600000000, -0.0009943700000000 ] - [ -0.0063785400000000, 0.0115046300000000, 0.0116699500000000 ] - [ 0.0008574100000000, 0.0011939300000000, 0.0000078900000000 ] - [ 0.0024659100000000, -0.0002154300000000, -0.0022034600000000 ] - [ -0.0019730400000000, -0.0000083400000000, -0.0001769300000000 ] - [ 0.0001791500000000, 0.0007341500000000, -0.0056451200000000 ] - [ 0.0002766700000000, 0.0005390100000000, -0.0006888600000000 ] - [ 0.0001240800000000, -0.0007606000000000, -0.0004960800000000 ] - [ -0.0012969100000000, -0.0008816600000000, -0.0000294400000000 ] - [ -0.0010807800000000, -0.0001407300000000, -0.0002775400000000 ] - [ 0.0000729500000000, -0.0002222300000000, -0.0001647800000000 ] - [ -0.0018780500000000, -0.0001459600000000, -0.0003256700000000 ] - [ -0.0040772900000000, 0.0019373600000000, -0.0027977400000000 ] - [ -0.0021186500000000, -0.0007806500000000, -0.0019276800000000 ] - [ -0.0016943300000000, -0.0005707400000000, 0.0004054600000000 ] - [ 0.0024468700000000, -0.0006617800000000, -0.0018412900000000 ] - [ 0.0018763200000000, -0.0006408400000000, -0.0011839900000000 ] - [ 0.0000234000000000, 0.0006573200000000, 0.0005911700000000 ] - [ 0.0028180800000000, -0.0000026900000000, -0.0010716900000000 ] - [ -0.0037231900000000, -0.0016617700000000, 0.0036047100000000 ] - [ 0.0022864100000000, -0.0013881400000000, 0.0003168000000000 ] - [ 0.0001869900000000, -0.0001694300000000, -0.0006423700000000 ] - [ -0.0001881100000000, 0.0000603000000000, -0.0006866000000000 ] - [ -0.0003121800000000, 0.0016648900000000, 0.0015231200000000 ] - [ 0.0005475100000000, 0.0005623200000000, 0.0007374400000000 ] - [ 0.0000540800000000, 0.0000433200000000, -0.0005920200000000 ] - [ -0.0002604100000000, 0.0000311700000000, -0.0006712800000000 ] - [ 0.0006965000000000, -0.0005368000000000, -0.0002728600000000 ] - [ 0.0004910500000000, -0.0001845800000000, -0.0013414500000000 ] - [ -0.0028490500000000, 0.0005060300000000, 0.0004935200000000 ] - [ 0.0020154200000000, -0.0014732500000000, 0.0001838700000000 ] - [ 0.0007533800000000, -0.0001264100000000, 0.0005996100000000 ] - [ -0.0042528700000000, -0.0052535400000000, 0.0278953300000000 ] - [ -0.0004442800000000, 0.0004697000000000, -0.0009799000000000 ] - [ 0.0010140300000000, -0.0001237300000000, -0.0005752400000000 ] - [ 0.0001456200000000, 0.0001402500000000, 0.0005067800000000 ] - [ 0.0012019500000000, 0.0057892200000000, 0.0012428100000000 ] - [ -0.0006742800000000, -0.0007935500000000, -0.0003604300000000 ] - [ 0.0001267900000000, -0.0005157700000000, -0.0000341000000000 ] - [ 0.0000079100000000, 0.0006578900000000, 0.0003196400000000 ] - [ 0.0002233800000000, 0.0009437400000000, 0.0001225400000000 ] - [ -0.0025647600000000, -0.0013614800000000, 0.0014412200000000 ] - [ 0.0006371600000000, 0.0006947700000000, 0.0007399400000000 ] - [ 0.0005054000000000, -0.0001241200000000, 0.0004748700000000 ] - [ -0.0002031100000000, 0.0000965700000000, 0.0003253200000000 ] - [ -0.0005249400000000, 0.0014054600000000, 0.0000220400000000 ] - [ 0.0003831000000000, 0.0008307700000000, 0.0000676100000000 ] - [ 0.0005835700000000, -0.0002882800000000, -0.0001537700000000 ] - [ -0.0005606600000000, 0.0003982200000000, -0.0000322600000000 ] - [ -0.0000823100000000, -0.0004811200000000, -0.0006513800000000 ] - [ -0.0005000400000000, -0.0002603900000000, -0.0006218800000000 ] - [ -0.0030469200000000, -0.0026134500000000, 0.0009927100000000 ] - [ 0.0030996100000000, 0.0013597400000000, -0.0008181800000000 ] - [ 0.0003286300000000, -0.0003877200000000, -0.0011431900000000 ] - [ -0.0001617500000000, -0.0005380000000000, -0.0009092000000000 ] - [ 0.0006589300000000, -0.0009488100000000, -0.0016500200000000 ] - [ -0.0000118700000000, -0.0002498900000000, -0.0001427700000000 ] - [ 0.0010426000000000, 0.0012420600000000, -0.0010893500000000 ] - [ -0.0001627900000000, 0.0001250800000000, -0.0001940600000000 ] - [ 0.0014207700000000, 0.0003582900000000, -0.0023382700000000 ] - [ -0.0001473000000000, -0.0004677400000000, 0.0004332900000000 ] - [ 0.0010062400000000, -0.0008225800000000, -0.0018145600000000 ] - [ -0.0004972800000000, 0.0001386400000000, 0.0000634300000000 ] - [ -0.0277017400000000, 0.0025257500000000, 0.0047848400000000 ] - [ 0.0045360500000000, 0.0002500400000000, 0.0016055200000000 ] - [ -0.0002595800000000, 0.0005701700000000, -0.0008139400000000 ] - [ -0.0004725000000000, 0.0004273300000000, -0.0005577600000000 ] - [ -0.0000309800000000, -0.0002474100000000, -0.0005287700000000 ] - [ 0.0001935700000000, -0.0003017800000000, -0.0005925300000000 ] - [ -0.0002048500000000, -0.0007368100000000, 0.0004590900000000 ] - [ 0.0000950700000000, 0.0003758300000000, 0.0005587500000000 ] - [ -0.0005663100000000, 0.0005333100000000, -0.0001799300000000 ] - [ 0.0000197400000000, 0.0004565900000000, -0.0001055400000000 ] - [ -0.0003501500000000, 0.0002019600000000, 0.0005323700000000 ] - [ 0.0008157800000000, -0.0011689000000000, 0.0007752900000000 ] - [ -0.0019424300000000, 0.0010100200000000, 0.0027485500000000 ] - [ -0.0022472100000000, 0.0008758200000000, 0.0024499800000000 ] - [ -0.0019860200000000, 0.0000589600000000, -0.0010929500000000 ] - [ -0.0019194300000000, 0.0002401500000000, -0.0011157300000000 ] - [ 0.0037019800000000, -0.0007266900000000, -0.0015914900000000 ] - [ 0.0010662300000000, 0.0004382000000000, 0.0063118100000000 ] - [ 0.0019592700000000, 0.0009092500000000, -0.0025478400000000 ] - [ 0.0021986600000000, 0.0004545800000000, -0.0016204500000000 ] - [ 0.0007755500000000, 0.0007436900000000, 0.0005952700000000 ] - [ -0.0000756600000000, 0.0010154100000000, 0.0007762000000000 ] - [ 0.0006016700000000, 0.0003433900000000, -0.0005433300000000 ] - [ 0.0006518400000000, 0.0004847900000000, -0.0003430800000000 ] - [ 0.0011381500000000, -0.0000417000000000, 0.0004358700000000 ] - [ -0.0059035900000000, 0.0017445900000000, 0.0025899600000000 ] - [ -0.0003958900000000, -0.0011317500000000, 0.0000447200000000 ] - [ 0.0005822800000000, -0.0008920800000000, 0.0001548900000000 ] - [ 0.0039189300000000, 0.0012865400000000, 0.0013173300000000 ] - [ -0.0148970000000000, 0.0077232700000000, 0.0111791300000000 ] - [ -0.0002922600000000, -0.0009032600000000, -0.0001372500000000 ] - [ 0.0000265900000000, -0.0009623400000000, -0.0003924300000000 ]- atom: 1 displacement: [ 0.0045611250918810, 0.0000000000000000, -0.0088992211960493 ] forces: - [ -0.0685503700000000, 0.0096402300000000, 0.0664921900000000 ] - [ 0.0028828000000000, -0.0002239800000000, 0.0006735800000000 ] - [ 0.0003931900000000, 0.0000704600000000, -0.0009598700000000 ] - [ -0.0002810700000000, -0.0001716300000000, -0.0008524800000000 ] - [ -0.0000436600000000, 0.0001306200000000, 0.0004669100000000 ] - [ -0.0004225000000000, 0.0019523300000000, 0.0011269600000000 ] - [ -0.0003243600000000, -0.0001010600000000, -0.0010323800000000 ] - [ 0.0002183000000000, -0.0000373400000000, -0.0008297900000000 ] - [ 0.0002020800000000, -0.0012611300000000, -0.0003019100000000 ] - [ 0.0001112700000000, 0.0001470700000000, 0.0003534700000000 ] - [ 0.0002485300000000, 0.0010310200000000, -0.0002758300000000 ] - [ -0.0001884100000000, 0.0000202600000000, 0.0002041800000000 ] - [ -0.0004574100000000, -0.0001982100000000, -0.0008828400000000 ] - [ 0.0004230700000000, 0.0002873400000000, -0.0019963900000000 ] - [ -0.0005949600000000, 0.0015062400000000, 0.0011695200000000 ] - [ 0.0052743900000000, -0.0070941800000000, -0.0017428700000000 ] - [ 0.0018159300000000, 0.0002779000000000, -0.0019307400000000 ] - [ 0.0009224200000000, 0.0000985700000000, -0.0040173000000000 ] - [ -0.0061626200000000, -0.0053944300000000, -0.0011628600000000 ] - [ 0.0023028700000000, -0.0001567600000000, 0.0002745300000000 ] - [ 0.0009809700000000, -0.0017176400000000, -0.0005640700000000 ] - [ -0.0043016900000000, -0.0020509500000000, -0.0001938200000000 ] - [ -0.0035791700000000, 0.0027227000000000, -0.0012206200000000 ] - [ 0.0002971500000000, 0.0002529200000000, -0.0003465100000000 ] - [ 0.0020978200000000, 0.0006989500000000, -0.0002462900000000 ] - [ -0.0097668700000000, 0.0141821200000000, -0.0084747800000000 ] - [ -0.0018239600000000, -0.0000620600000000, -0.0020922100000000 ] - [ 0.0023672300000000, -0.0005156100000000, -0.0005938900000000 ] - [ -0.0047775900000000, 0.0039438700000000, 0.0017110100000000 ] - [ 0.0023004500000000, -0.0002383100000000, 0.0000956100000000 ] - [ -0.0003736500000000, 0.0000244600000000, -0.0012853800000000 ] - [ -0.0012030900000000, 0.0002865400000000, -0.0011233400000000 ] - [ 0.0001101800000000, -0.0004289300000000, -0.0012310300000000 ] - [ 0.0006709600000000, -0.0003654700000000, -0.0011820600000000 ] - [ -0.0004913200000000, -0.0004704600000000, 0.0023344200000000 ] - [ 0.0019088200000000, 0.0002801600000000, 0.0019156200000000 ] - [ 0.0081059600000000, -0.0012287100000000, -0.0065650000000000 ] - [ -0.0017537900000000, -0.0025121300000000, 0.0030794200000000 ] - [ 0.0021141500000000, -0.0000717200000000, -0.0049040100000000 ] - [ -0.0008632200000000, 0.0000803600000000, -0.0005591600000000 ] - [ 0.0031991900000000, 0.0010344600000000, 0.0004120000000000 ] - [ -0.0012861400000000, 0.0026418400000000, 0.0011741600000000 ] - [ 0.0019135600000000, -0.0008505600000000, -0.0025871800000000 ] - [ 0.0010629900000000, -0.0002341900000000, -0.0019524400000000 ] - [ 0.0051273800000000, -0.0044656400000000, 0.0024351300000000 ] - [ 0.0131785900000000, 0.0140213400000000, 0.0093839100000000 ] - [ -0.0008736800000000, 0.0001026700000000, -0.0014225100000000 ] - [ -0.0011791600000000, -0.0003931400000000, -0.0009982200000000 ] - [ -0.0003976600000000, 0.0004402500000000, 0.0002196200000000 ] - [ 0.0006379900000000, 0.0012320000000000, 0.0002885900000000 ] - [ 0.0060488200000000, -0.0109527900000000, -0.0124288900000000 ] - [ -0.0011498400000000, -0.0002465000000000, -0.0007151300000000 ] - [ -0.0024188100000000, 0.0013874300000000, 0.0009507600000000 ] - [ 0.0020028300000000, 0.0011848400000000, -0.0010696100000000 ] - [ -0.0001366700000000, 0.0004397000000000, 0.0044725600000000 ] - [ -0.0002404200000000, 0.0006358600000000, -0.0005624500000000 ] - [ -0.0010780300000000, -0.0002238100000000, 0.0003906300000000 ] - [ 0.0003393900000000, -0.0001037000000000, -0.0000787300000000 ] - [ 0.0001316200000000, -0.0008485800000000, 0.0001657200000000 ] - [ -0.0010302100000000, -0.0007626800000000, 0.0000537500000000 ] - [ -0.0022815700000000, -0.0005260100000000, 0.0010527700000000 ] - [ -0.0000804300000000, -0.0026145400000000, 0.0035313300000000 ] - [ -0.0020440400000000, 0.0001039000000000, 0.0026208500000000 ] - [ -0.0024668600000000, -0.0000990300000000, 0.0003141900000000 ] - [ 0.0017120000000000, -0.0000108400000000, 0.0011235600000000 ] - [ 0.0022818800000000, -0.0000324000000000, 0.0004597100000000 ] - [ 0.0041400600000000, -0.0013416600000000, -0.0013342300000000 ] - [ 0.0013392800000000, -0.0006705000000000, 0.0003413500000000 ] - [ 0.0038946100000000, 0.0011074700000000, -0.0041137300000000 ] - [ -0.0020774400000000, 0.0009763000000000, -0.0008489300000000 ] - [ 0.0000234900000000, -0.0002456500000000, 0.0001104600000000 ] - [ 0.0003996500000000, -0.0004755500000000, 0.0001547900000000 ] - [ 0.0001543300000000, -0.0013391600000000, -0.0014649100000000 ] - [ -0.0007124700000000, -0.0002608800000000, -0.0006913900000000 ] - [ -0.0002176200000000, 0.0002571900000000, 0.0006368800000000 ] - [ 0.0000968100000000, 0.0002690400000000, 0.0007150300000000 ] - [ 0.0002581500000000, -0.0004461400000000, 0.0003823400000000 ] - [ 0.0004600500000000, -0.0007972300000000, 0.0014504000000000 ] - [ 0.0037938600000000, -0.0014888800000000, -0.0003926100000000 ] - [ -0.0010639700000000, 0.0004916500000000, -0.0000777200000000 ] - [ -0.0005895700000000, 0.0004241200000000, -0.0006391000000000 ] - [ 0.0045205500000000, 0.0048479500000000, -0.0260194600000000 ] - [ 0.0006087300000000, -0.0001671300000000, 0.0009326800000000 ] - [ -0.0008603100000000, 0.0004281900000000, 0.0005307600000000 ] - [ -0.0003560900000000, -0.0005545200000000, 0.0000273200000000 ] - [ -0.0014210500000000, -0.0061826200000000, -0.0007177900000000 ] - [ 0.0004642600000000, 0.0003818800000000, 0.0008930400000000 ] - [ -0.0003384600000000, 0.0001031600000000, 0.0005674700000000 ] - [ -0.0000463500000000, 0.0005166800000000, 0.0009300700000000 ] - [ -0.0002625100000000, 0.0002307000000000, 0.0011273900000000 ] - [ 0.0025111400000000, 0.0025337400000000, -0.0001904000000000 ] - [ -0.0006698400000000, 0.0004811500000000, 0.0005072700000000 ] - [ -0.0002162800000000, 0.0010726900000000, 0.0002330100000000 ] - [ 0.0004910900000000, 0.0008480500000000, 0.0003838400000000 ] - [ 0.0008163300000000, -0.0004610300000000, 0.0006811600000000 ] - [ -0.0000979400000000, 0.0001187500000000, 0.0006372400000000 ] - [ -0.0008697400000000, -0.0006617600000000, -0.0005489100000000 ] - [ 0.0002721000000000, -0.0013479200000000, -0.0006726000000000 ] - [ -0.0002061600000000, -0.0004687300000000, -0.0000561400000000 ] - [ 0.0002113500000000, -0.0006890400000000, -0.0000859700000000 ] - [ 0.0030697600000000, 0.0014360800000000, -0.0022314000000000 ] - [ -0.0030638400000000, -0.0025362200000000, -0.0004311900000000 ] - [ -0.0002913300000000, -0.0007886700000000, -0.0001051100000000 ] - [ 0.0002003100000000, -0.0006374400000000, -0.0003408300000000 ] - [ -0.0004399600000000, 0.0013653000000000, 0.0011088600000000 ] - [ 0.0002224500000000, 0.0006653900000000, -0.0003878700000000 ] - [ -0.0008424100000000, -0.0008378100000000, 0.0005616100000000 ] - [ 0.0003741600000000, 0.0002908400000000, -0.0003408400000000 ] - [ -0.0015852100000000, -0.0006585400000000, 0.0023813900000000 ] - [ -0.0000157500000000, 0.0001667300000000, -0.0003849700000000 ] - [ -0.0011812400000000, 0.0005347200000000, 0.0018656300000000 ] - [ 0.0003331700000000, -0.0004371900000000, -0.0000250000000000 ] - [ 0.0259974200000000, -0.0013917700000000, -0.0050548300000000 ] - [ -0.0054696300000000, 0.0007340800000000, -0.0017015000000000 ] - [ -0.0006952600000000, 0.0004124600000000, 0.0007086400000000 ] - [ -0.0004825800000000, 0.0005564900000000, 0.0004485900000000 ] - [ 0.0001932800000000, -0.0000541800000000, 0.0004844000000000 ] - [ -0.0000308200000000, 0.0000002900000000, 0.0005480900000000 ] - [ 0.0003634600000000, 0.0004342400000000, -0.0005061800000000 ] - [ 0.0000741900000000, -0.0006759600000000, -0.0006107800000000 ] - [ 0.0003556200000000, -0.0001194800000000, 0.0007129800000000 ] - [ -0.0002307300000000, -0.0000419000000000, 0.0006382200000000 ] - [ 0.0001340500000000, 0.0002148700000000, -0.0000009700000000 ] - [ -0.0010187600000000, 0.0015787200000000, -0.0002432600000000 ] - [ -0.0022192300000000, -0.0003356000000000, -0.0020124700000000 ] - [ -0.0019111100000000, -0.0002014100000000, -0.0017220100000000 ] - [ -0.0021735100000000, 0.0006133400000000, 0.0018146300000000 ] - [ -0.0022402000000000, 0.0004322200000000, 0.0018387600000000 ] - [ 0.0004458200000000, 0.0014046700000000, 0.0009057800000000 ] - [ 0.0030982700000000, 0.0002272700000000, -0.0070241100000000 ] - [ 0.0022019700000000, -0.0002416300000000, 0.0018332000000000 ] - [ 0.0019599000000000, 0.0002182700000000, 0.0008937700000000 ] - [ 0.0001774400000000, 0.0002402000000000, -0.0004836500000000 ] - [ 0.0010316000000000, -0.0000299600000000, -0.0006646200000000 ] - [ 0.0003541900000000, 0.0006403300000000, 0.0006496300000000 ] - [ 0.0003020900000000, 0.0004989100000000, 0.0004511300000000 ] - [ -0.0011727900000000, -0.0011302600000000, 0.0008152600000000 ] - [ 0.0058438300000000, -0.0029012900000000, -0.0013491100000000 ] - [ 0.0003621300000000, -0.0000355900000000, 0.0012041300000000 ] - [ -0.0006256600000000, -0.0002805100000000, 0.0010953100000000 ] - [ -0.0036549600000000, -0.0022444700000000, -0.0006170300000000 ] - [ 0.0161952400000000, -0.0087356100000000, -0.0106182600000000 ] - [ 0.0005823400000000, -0.0000449200000000, 0.0008450100000000 ] - [ 0.0002606900000000, 0.0000113500000000, 0.0010983000000000 ]- atom: 17 displacement: [ 0.0099996083916704, 0.0000000000000000, -0.0000884986623371 ] forces: - [ 0.0003046000000000, -0.0000826800000000, -0.0004132500000000 ] - [ -0.0002462200000000, 0.0001750900000000, 0.0003018500000000 ] - [ -0.0041938600000000, 0.0143524700000000, 0.0062549700000000 ] - [ 0.0024944400000000, -0.0002990300000000, 0.0001871400000000 ] - [ -0.0020115200000000, -0.0003182000000000, 0.0014665100000000 ] - [ 0.0010108200000000, -0.0001967900000000, -0.0013097300000000 ] - [ 0.0033005900000000, 0.0004433500000000, -0.0009031800000000 ] - [ -0.0035923900000000, -0.0013066300000000, 0.0015144200000000 ] - [ -0.0000987900000000, -0.0010181500000000, -0.0021701800000000 ] - [ 0.0007596900000000, 0.0011857200000000, 0.0033267300000000 ] - [ -0.0004604100000000, 0.0017295600000000, -0.0009209300000000 ] - [ 0.0005974500000000, -0.0003388200000000, 0.0005892800000000 ] - [ 0.0189262100000000, -0.0096753200000000, 0.0024845400000000 ] - [ 0.0248417700000000, 0.0111267200000000, -0.0035191400000000 ] - [ 0.0004489700000000, -0.0000721400000000, -0.0002858400000000 ] - [ -0.0005426600000000, -0.0001611000000000, -0.0004510400000000 ] - [ -0.3751573000000000, 0.0206841400000000, -0.0115148000000000 ] - [ 0.0140050100000000, 0.0026597600000000, -0.0002645400000000 ] - [ 0.0018778700000000, 0.0000903500000000, -0.0035296800000000 ] - [ 0.0004683200000000, -0.0002725300000000, 0.0005956400000000 ] - [ -0.0055939300000000, 0.0025906900000000, 0.0021887900000000 ] - [ 0.0019043100000000, -0.0009027600000000, 0.0001015600000000 ] - [ 0.0003361300000000, 0.0003857600000000, -0.0003460400000000 ] - [ -0.0027923500000000, 0.0009260700000000, 0.0016853900000000 ] - [ -0.0125157800000000, 0.0045909600000000, 0.0060207600000000 ] - [ 0.0044008300000000, 0.0002496000000000, -0.0011307500000000 ] - [ 0.0043725200000000, -0.0004533100000000, -0.0011440100000000 ] - [ -0.0003188700000000, -0.0005029700000000, 0.0054639800000000 ] - [ -0.0000905100000000, 0.0002828200000000, -0.0009162900000000 ] - [ -0.0010645400000000, 0.0004188900000000, 0.0003711000000000 ] - [ -0.0163742000000000, 0.0011391200000000, -0.0021413400000000 ] - [ 0.0097084500000000, 0.0022302100000000, 0.0000046300000000 ] - [ 0.0284429200000000, 0.0189463500000000, -0.0096770100000000 ] - [ 0.0156128100000000, -0.0231512100000000, 0.0062632900000000 ] - [ 0.0009062700000000, -0.0006184900000000, -0.0008875900000000 ] - [ 0.0000344400000000, -0.0002138000000000, -0.0003046400000000 ] - [ -0.0018901900000000, 0.0037244900000000, -0.0043850900000000 ] - [ 0.0018670600000000, -0.0020821900000000, 0.0018791400000000 ] - [ -0.0035634900000000, -0.0003295700000000, -0.0013029500000000 ] - [ 0.0018697400000000, -0.0006410100000000, 0.0014529800000000 ] - [ 0.0034300700000000, 0.0009730700000000, -0.0082396000000000 ] - [ 0.0036724500000000, -0.0016491700000000, 0.0012569900000000 ] - [ 0.0034036500000000, 0.0001168100000000, -0.0154595200000000 ] - [ 0.0036735200000000, -0.0008808800000000, 0.0030388500000000 ] - [ -0.0007930700000000, 0.0000933700000000, -0.0002711300000000 ] - [ -0.0013171100000000, 0.0000011600000000, 0.0011883400000000 ] - [ -0.0011752300000000, -0.0036613400000000, -0.0011693000000000 ] - [ 0.0030909900000000, 0.0040177300000000, 0.0031025400000000 ] - [ 0.0901417400000000, 0.0877778000000000, 0.0119119000000000 ] - [ -0.0045744100000000, -0.0008991400000000, -0.0004670300000000 ] - [ 0.0000980000000000, 0.0009097900000000, 0.0000817100000000 ] - [ -0.0001715800000000, 0.0004213100000000, -0.0005020600000000 ] - [ 0.0021775500000000, -0.0015036200000000, 0.0009797900000000 ] - [ -0.0018161100000000, 0.0011245000000000, -0.0004707100000000 ] - [ 0.0004491200000000, 0.0007289000000000, -0.0004925600000000 ] - [ -0.0003818700000000, 0.0002708700000000, -0.0008684600000000 ] - [ 0.0016786600000000, 0.0001109600000000, -0.0000412800000000 ] - [ -0.0023655000000000, -0.0011759700000000, -0.0003491400000000 ] - [ -0.0012048000000000, -0.0011341100000000, 0.0003977500000000 ] - [ 0.0000357600000000, -0.0003517100000000, -0.0003668200000000 ] - [ 0.0380338600000000, -0.0053733300000000, -0.0407838400000000 ] - [ -0.0042524000000000, -0.0001377900000000, 0.0006783000000000 ] - [ -0.0034407600000000, 0.0001486900000000, 0.0036644700000000 ] - [ -0.0019522800000000, -0.0000833100000000, -0.0012135700000000 ] - [ 0.0035857300000000, -0.0004158300000000, -0.0013332000000000 ] - [ 0.0009015000000000, -0.0006106800000000, 0.0001070500000000 ] - [ 0.0017466900000000, -0.0003573000000000, 0.0005423100000000 ] - [ 0.0023211200000000, -0.0004215100000000, -0.0007812600000000 ] - [ -0.0000659100000000, -0.0002114900000000, -0.0001211700000000 ] - [ 0.0003223200000000, -0.0003544600000000, -0.0002792700000000 ] - [ 0.0027458700000000, -0.0029836900000000, 0.0006589300000000 ] - [ -0.0020083300000000, 0.0004724800000000, -0.0005074700000000 ] - [ -0.0003117300000000, 0.0001603800000000, 0.0004119800000000 ] - [ 0.0001757300000000, 0.0002392700000000, -0.0000725000000000 ] - [ 0.0048580400000000, 0.0033073600000000, 0.0005621600000000 ] - [ -0.0050958700000000, -0.0022289100000000, -0.0005129200000000 ] - [ 0.2029202500000000, -0.1254008400000000, 0.0330370400000000 ] - [ -0.0053172500000000, 0.0001920600000000, -0.0000647900000000 ] - [ -0.0004634100000000, -0.0001445500000000, 0.0006873900000000 ] - [ 0.0010032800000000, -0.0005656900000000, -0.0003290600000000 ] - [ 0.0008081100000000, -0.0005703900000000, 0.0008293300000000 ] - [ -0.0008792500000000, 0.0002081400000000, 0.0006119700000000 ] - [ -0.0014437400000000, 0.0009816600000000, -0.0003452100000000 ] - [ 0.0013010300000000, -0.0009023900000000, -0.0048672200000000 ] - [ 0.0023855300000000, 0.0001620500000000, -0.0000963400000000 ] - [ -0.0009539100000000, -0.0005536100000000, 0.0006439100000000 ] - [ -0.0019349000000000, -0.0007250300000000, 0.0001194300000000 ] - [ 0.0026611900000000, 0.0015826300000000, -0.0016864500000000 ] - [ 0.0032651600000000, -0.0058018000000000, 0.0118378400000000 ] - [ -0.0101505200000000, 0.0016348300000000, 0.0022545300000000 ] - [ -0.0006635600000000, 0.0002960900000000, 0.0010626800000000 ] - [ 0.0005702300000000, 0.0007874300000000, 0.0005149100000000 ] - [ 0.0016995600000000, -0.0012971800000000, -0.0008378700000000 ] - [ -0.0011498700000000, 0.0013626200000000, 0.0008603000000000 ] - [ -0.0006885100000000, 0.0002772000000000, 0.0006139300000000 ] - [ 0.0014546800000000, -0.0003545700000000, 0.0002816400000000 ] - [ -0.0001405300000000, -0.0009413400000000, 0.0011202200000000 ] - [ -0.0010421200000000, 0.0004092900000000, -0.0018869300000000 ] - [ 0.0037166800000000, -0.0043623400000000, 0.0023964100000000 ] - [ -0.0017918100000000, 0.0007656000000000, -0.0007966800000000 ] - [ -0.0003598700000000, -0.0006778200000000, -0.0002177300000000 ] - [ 0.0003374700000000, -0.0005759000000000, -0.0008789200000000 ] - [ 0.0055026900000000, -0.0024010400000000, -0.0008373200000000 ] - [ -0.0057337000000000, -0.0009461400000000, 0.0005896300000000 ] - [ -0.0004205200000000, -0.0009290500000000, 0.0000679400000000 ] - [ 0.0002257400000000, 0.0006177700000000, -0.0007548800000000 ] - [ 0.0007837400000000, 0.0002174600000000, -0.0000564400000000 ] - [ -0.0005198700000000, -0.0001105900000000, -0.0005335800000000 ] - [ -0.0021221200000000, -0.0033660200000000, 0.0054428300000000 ] - [ -0.0010823800000000, 0.0020506500000000, -0.0041873000000000 ] - [ 0.0012068100000000, -0.0001307000000000, 0.0002278600000000 ] - [ -0.0011086300000000, 0.0002277200000000, -0.0003927200000000 ] - [ -0.0006545900000000, 0.0004726900000000, 0.0003974700000000 ] - [ -0.0003251600000000, 0.0004749100000000, -0.0003547600000000 ] - [ 0.0028414600000000, 0.0020763200000000, 0.0011709800000000 ] - [ -0.0029059200000000, 0.0007992800000000, -0.0005338900000000 ] - [ -0.0056141300000000, -0.0056285900000000, -0.0036156000000000 ] - [ 0.0025247600000000, 0.0055191800000000, 0.0026574100000000 ] - [ 0.0000497400000000, -0.0000719500000000, 0.0000265000000000 ] - [ 0.0001650400000000, -0.0002261500000000, 0.0006341100000000 ] - [ -0.0093218600000000, -0.0021898800000000, 0.0006376600000000 ] - [ -0.0126491300000000, 0.0208017900000000, -0.0072094400000000 ] - [ -0.0002768700000000, 0.0002727900000000, 0.0002253800000000 ] - [ 0.0001462800000000, 0.0000936300000000, 0.0006638900000000 ] - [ -0.0022267700000000, 0.0000481400000000, 0.0018277000000000 ] - [ -0.0019684500000000, 0.0005899900000000, -0.0002557700000000 ] - [ 0.0019451600000000, -0.0007798700000000, 0.0081912200000000 ] - [ -0.0043247600000000, -0.0004169800000000, -0.0026696500000000 ] - [ 0.0026097400000000, -0.0003071600000000, 0.0006899800000000 ] - [ 0.0015517900000000, 0.0007687700000000, -0.0008912500000000 ] - [ 0.0020205800000000, 0.0002096800000000, 0.0009596700000000 ] - [ 0.0019661300000000, 0.0000844700000000, -0.0025549600000000 ] - [ 0.0003797100000000, 0.0013301500000000, 0.0019781900000000 ] - [ -0.0003464900000000, 0.0004177000000000, 0.0000107800000000 ] - [ -0.0033426600000000, -0.0005664000000000, 0.0023072700000000 ] - [ 0.0000750800000000, 0.0004806500000000, -0.0014628300000000 ] - [ 0.0032370500000000, -0.0027053100000000, 0.0001897800000000 ] - [ -0.0017095500000000, -0.0002004400000000, 0.0012052700000000 ] - [ -0.0027632400000000, 0.0011727700000000, 0.0027392800000000 ] - [ -0.0004405200000000, -0.0008909200000000, -0.0019097300000000 ] - [ 0.0002111400000000, -0.0003926600000000, 0.0004727000000000 ] - [ 0.0001122700000000, -0.0004999000000000, 0.0004308000000000 ] - [ -0.0016029800000000, 0.0035184200000000, 0.0015613700000000 ] - [ -0.0048382000000000, -0.0070069200000000, -0.0008647800000000 ]- atom: 17 displacement: [ -0.0099996083916704, 0.0000000000000000, 0.0000884986623371 ] forces: - [ -0.0002124600000000, 0.0001124700000000, 0.0008591200000000 ] - [ 0.0003405100000000, -0.0001516700000000, 0.0001714600000000 ] - [ 0.0042860600000000, -0.0143874900000000, -0.0058531500000000 ] - [ -0.0024016500000000, 0.0003322600000000, 0.0002611500000000 ] - [ 0.0019425100000000, 0.0003769000000000, -0.0019068700000000 ] - [ -0.0011109800000000, 0.0002264600000000, 0.0008518700000000 ] - [ -0.0033865800000000, -0.0004157200000000, 0.0004727000000000 ] - [ 0.0034912800000000, 0.0013387200000000, -0.0019493500000000 ] - [ 0.0001853700000000, 0.0009779800000000, 0.0025748400000000 ] - [ -0.0006615100000000, -0.0012245300000000, -0.0028986100000000 ] - [ 0.0005529800000000, -0.0017645900000000, 0.0013730800000000 ] - [ -0.0005041700000000, 0.0003044600000000, -0.0001323900000000 ] - [ -0.0191247100000000, 0.0097890300000000, -0.0029692200000000 ] - [ -0.0247654700000000, -0.0109211700000000, 0.0030626900000000 ] - [ -0.0005426200000000, 0.0000405100000000, -0.0001463600000000 ] - [ 0.0004490900000000, 0.0001320900000000, 0.0000086600000000 ] - [ 0.3852475700000000, -0.0321945200000000, 0.0112165100000000 ] - [ -0.0116828300000000, -0.0026005500000000, -0.0012145400000000 ] - [ 0.0003925000000000, -0.0000658400000000, 0.0020849600000000 ] - [ 0.0018229600000000, 0.0003104300000000, -0.0020454400000000 ] - [ 0.0033187500000000, -0.0025882400000000, -0.0007312300000000 ] - [ -0.0041819000000000, 0.0009164400000000, 0.0013488400000000 ] - [ -0.0026143900000000, -0.0003604400000000, 0.0018246200000000 ] - [ 0.0005112100000000, -0.0009049500000000, -0.0002072700000000 ] - [ 0.0138324300000000, -0.0040687500000000, -0.0057204100000000 ] - [ -0.0032494200000000, 0.0004161400000000, 0.0011486600000000 ] - [ -0.0032113000000000, 0.0011120400000000, 0.0012054000000000 ] - [ 0.0014556100000000, 0.0011733200000000, -0.0054181200000000 ] - [ -0.0010748700000000, 0.0003716600000000, 0.0008770900000000 ] - [ -0.0000861400000000, 0.0002369900000000, -0.0004069500000000 ] - [ 0.0151903400000000, -0.0005121000000000, 0.0020716100000000 ] - [ -0.0108455300000000, -0.0016094200000000, -0.0000758900000000 ] - [ -0.0274324600000000, -0.0198923200000000, 0.0098084700000000 ] - [ -0.0142554000000000, 0.0221615400000000, -0.0060979500000000 ] - [ 0.0002600000000000, -0.0000199800000000, 0.0009612800000000 ] - [ 0.0011285700000000, -0.0004379200000000, 0.0003534400000000 ] - [ 0.0006697400000000, -0.0043808700000000, 0.0043300200000000 ] - [ -0.0029929400000000, 0.0014182100000000, -0.0019413100000000 ] - [ 0.0024134600000000, -0.0003231800000000, 0.0012547700000000 ] - [ -0.0030342600000000, -0.0000063600000000, -0.0014942400000000 ] - [ -0.0012968500000000, -0.0009258100000000, 0.0068541300000000 ] - [ -0.0013636900000000, 0.0016290500000000, -0.0027468300000000 ] - [ -0.0011953300000000, -0.0001470100000000, 0.0141448400000000 ] - [ -0.0013933600000000, 0.0008604400000000, -0.0044531600000000 ] - [ -0.0014972900000000, -0.0001303800000000, 0.0017477500000000 ] - [ -0.0009588300000000, -0.0000330800000000, 0.0002836200000000 ] - [ -0.0010923900000000, 0.0036114200000000, 0.0026294000000000 ] - [ -0.0053952300000000, -0.0040823100000000, -0.0016419600000000 ] - [ -0.0885457000000000, -0.0829792700000000, -0.0117609500000000 ] - [ 0.0042822500000000, 0.0018318400000000, -0.0002395200000000 ] - [ -0.0003844000000000, 0.0000413100000000, -0.0007911600000000 ] - [ -0.0001207900000000, 0.0005211600000000, -0.0002158700000000 ] - [ -0.0021145700000000, 0.0026970000000000, -0.0022392900000000 ] - [ 0.0018349600000000, 0.0000608900000000, -0.0007723200000000 ] - [ -0.0004153400000000, 0.0004471200000000, -0.0007601500000000 ] - [ 0.0004210800000000, 0.0009043100000000, -0.0003871200000000 ] - [ -0.0026238000000000, -0.0010914300000000, -0.0000576300000000 ] - [ 0.0014123100000000, 0.0001942300000000, 0.0002482100000000 ] - [ 0.0002521600000000, 0.0001484000000000, -0.0005092400000000 ] - [ -0.0009882300000000, -0.0006321000000000, 0.0002542700000000 ] - [ -0.0427212100000000, 0.0048330600000000, 0.0415091000000000 ] - [ 0.0000891800000000, -0.0005455100000000, 0.0000783800000000 ] - [ -0.0007174400000000, -0.0008206700000000, -0.0029589000000000 ] - [ -0.0022025300000000, -0.0005937500000000, 0.0019249700000000 ] - [ 0.0005740600000000, -0.0002444900000000, 0.0006223000000000 ] - [ 0.0032590000000000, -0.0000538100000000, -0.0008186200000000 ] - [ 0.0024136500000000, -0.0003164200000000, -0.0012779300000000 ] - [ 0.0018379700000000, -0.0002527000000000, 0.0000442000000000 ] - [ 0.0002781900000000, -0.0002036700000000, -0.0004104600000000 ] - [ -0.0001120100000000, -0.0000561100000000, -0.0002558300000000 ] - [ -0.0025339200000000, 0.0025890500000000, -0.0011910400000000 ] - [ 0.0022097000000000, -0.0008730200000000, -0.0000267600000000 ] - [ 0.0001493900000000, 0.0001418600000000, -0.0003688100000000 ] - [ -0.0003456500000000, 0.0000580300000000, 0.0001084400000000 ] - [ -0.0049878100000000, -0.0029880500000000, -0.0005187500000000 ] - [ 0.0049439000000000, 0.0025471000000000, 0.0005572600000000 ] - [ -0.2108036200000000, 0.1321305400000000, -0.0350886900000000 ] - [ 0.0062415900000000, -0.0011902500000000, 0.0001798300000000 ] - [ 0.0014217700000000, -0.0008425700000000, -0.0005858100000000 ] - [ -0.0000501600000000, -0.0004224100000000, 0.0004343800000000 ] - [ -0.0006982600000000, 0.0009362200000000, -0.0009589000000000 ] - [ 0.0010507100000000, 0.0000891200000000, -0.0006488100000000 ] - [ 0.0016094500000000, -0.0006821200000000, 0.0002971200000000 ] - [ -0.0011304700000000, 0.0012020300000000, 0.0048489600000000 ] - [ -0.0026504400000000, -0.0006103500000000, 0.0005992700000000 ] - [ 0.0007530100000000, 0.0001391400000000, -0.0001046100000000 ] - [ 0.0017166400000000, 0.0003020400000000, 0.0004044200000000 ] - [ -0.0028719000000000, -0.0020111600000000, 0.0022171300000000 ] - [ -0.0035970600000000, 0.0067281700000000, -0.0107180400000000 ] - [ 0.0100538200000000, -0.0004512000000000, -0.0010003800000000 ] - [ 0.0006305200000000, 0.0008804300000000, 0.0001817700000000 ] - [ -0.0006097500000000, 0.0003892100000000, 0.0007357500000000 ] - [ -0.0014182400000000, 0.0022524800000000, 0.0015521800000000 ] - [ 0.0014372900000000, -0.0004072200000000, -0.0001431300000000 ] - [ 0.0009701600000000, 0.0006798500000000, 0.0000877800000000 ] - [ -0.0011720500000000, 0.0013144500000000, 0.0004205700000000 ] - [ -0.0001207300000000, -0.0000430300000000, -0.0018067000000000 ] - [ 0.0007499600000000, -0.0013661800000000, 0.0011891000000000 ] - [ -0.0040003600000000, 0.0034171900000000, -0.0031227000000000 ] - [ 0.0014983600000000, -0.0017082400000000, 0.0000786100000000 ] - [ 0.0004019300000000, -0.0004982800000000, -0.0010375800000000 ] - [ -0.0003037800000000, -0.0006005500000000, -0.0003741000000000 ] - [ -0.0054685300000000, 0.0012433400000000, -0.0004116700000000 ] - [ 0.0057527100000000, -0.0002003400000000, -0.0018353100000000 ] - [ 0.0006469300000000, 0.0013592500000000, -0.0005915800000000 ] - [ -0.0000168600000000, -0.0001923900000000, 0.0002290800000000 ] - [ -0.0005726800000000, 0.0002004900000000, -0.0004763000000000 ] - [ 0.0007325200000000, 0.0005265200000000, -0.0000011500000000 ] - [ 0.0019713000000000, 0.0030357100000000, -0.0053652100000000 ] - [ 0.0008947400000000, -0.0023653900000000, 0.0042518800000000 ] - [ -0.0013718300000000, -0.0001721700000000, -0.0001847100000000 ] - [ 0.0009461800000000, -0.0005316300000000, 0.0004316400000000 ] - [ -0.0002952200000000, 0.0005146000000000, -0.0005076100000000 ] - [ -0.0006385800000000, 0.0005168900000000, 0.0002415400000000 ] - [ -0.0038162300000000, -0.0010837200000000, -0.0012740200000000 ] - [ 0.0019711300000000, 0.0001860900000000, 0.0004268500000000 ] - [ 0.0057373100000000, 0.0053255100000000, 0.0035856900000000 ] - [ -0.0023388000000000, -0.0057639900000000, -0.0026662800000000 ] - [ 0.0001123000000000, -0.0002348600000000, -0.0000819900000000 ] - [ -0.0000003100000000, -0.0000764300000000, -0.0006831800000000 ] - [ 0.0091570800000000, 0.0026672800000000, -0.0001333200000000 ] - [ 0.0124494600000000, -0.0200716500000000, 0.0075902900000000 ] - [ 0.0000627800000000, 0.0001417100000000, 0.0002996600000000 ] - [ -0.0003579900000000, 0.0003212900000000, -0.0001337900000000 ] - [ -0.0019257200000000, 0.0006127400000000, -0.0011491500000000 ] - [ -0.0021969900000000, 0.0000814200000000, 0.0009842600000000 ] - [ -0.0061726800000000, 0.0014794200000000, -0.0074420700000000 ] - [ 0.0001520000000000, 0.0010808700000000, 0.0033529500000000 ] - [ 0.0015531800000000, 0.0009832400000000, -0.0014201100000000 ] - [ 0.0026033200000000, -0.0000914300000000, 0.0001656500000000 ] - [ 0.0021323800000000, 0.0004690500000000, -0.0016827600000000 ] - [ 0.0021951200000000, 0.0005937500000000, 0.0018337300000000 ] - [ 0.0005932000000000, -0.0003647300000000, -0.0019110700000000 ] - [ 0.0012946200000000, 0.0005659700000000, 0.0001007700000000 ] - [ 0.0042666300000000, 0.0015324700000000, -0.0021890100000000 ] - [ 0.0008810500000000, 0.0005036200000000, 0.0015517600000000 ] - [ -0.0032234700000000, 0.0015364400000000, 0.0010062500000000 ] - [ 0.0016708500000000, -0.0009779000000000, 0.0000499400000000 ] - [ 0.0027301100000000, -0.0023543300000000, -0.0014970300000000 ] - [ 0.0004160100000000, -0.0002990800000000, 0.0031471200000000 ] - [ 0.0000794800000000, -0.0005531700000000, 0.0002285100000000 ] - [ 0.0001716000000000, -0.0004532600000000, 0.0002763000000000 ] - [ 0.0018745700000000, -0.0044697000000000, -0.0008465300000000 ] - [ 0.0051681800000000, 0.0060874600000000, 0.0015760700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001327500000000, -0.0000468200000000, -0.0000225700000000 ] - [ 0.0000138300000000, 0.0001661700000000, 0.0001263900000000 ] - [ 0.0056702000000000, 0.0241234400000000, 0.0092353700000000 ] - [ -0.0001508800000000, 0.0002951800000000, 0.0003251200000000 ] - [ 0.0000483500000000, -0.0004844700000000, 0.0028322600000000 ] - [ 0.0000086000000000, -0.0001515000000000, 0.0000673700000000 ] - [ 0.0015946500000000, 0.0000337900000000, -0.0013313300000000 ] - [ -0.0016584400000000, -0.0014090300000000, -0.0033739400000000 ] - [ -0.0004623900000000, 0.0013120400000000, 0.0011440100000000 ] - [ 0.0008378100000000, 0.0019282200000000, 0.0036132300000000 ] - [ 0.0000038700000000, 0.0014152000000000, -0.0007244000000000 ] - [ 0.0001959800000000, 0.0002730600000000, 0.0000641800000000 ] - [ -0.0112908100000000, 0.0001777700000000, -0.0010053100000000 ] - [ 0.0215389100000000, -0.0022396300000000, -0.0049621800000000 ] - [ 0.0002649800000000, -0.0001951100000000, -0.0001992300000000 ] - [ -0.0003587200000000, -0.0003263900000000, 0.0000374000000000 ] - [ 0.0273482500000000, -0.3429285300000000, -0.0091455500000000 ] - [ 0.0037554500000000, -0.0029095900000000, -0.0005232100000000 ] - [ 0.0011994800000000, -0.0003116700000000, -0.0019287000000000 ] - [ 0.0008575900000000, -0.0003646100000000, -0.0000400600000000 ] - [ -0.0037200700000000, 0.0060768100000000, 0.0013095300000000 ] - [ -0.0002266600000000, 0.0013386300000000, 0.0012236200000000 ] - [ -0.0015172500000000, 0.0015604500000000, 0.0007433300000000 ] - [ -0.0020495800000000, 0.0020517900000000, 0.0007862200000000 ] - [ 0.0030371300000000, -0.0042099500000000, -0.0105710900000000 ] - [ 0.0026680700000000, -0.0011965000000000, -0.0000595900000000 ] - [ 0.0011924100000000, -0.0009130200000000, -0.0001489900000000 ] - [ 0.0026155900000000, -0.0034105600000000, 0.0065112000000000 ] - [ -0.0003319800000000, 0.0007404100000000, -0.0001236900000000 ] - [ -0.0006268500000000, 0.0006121800000000, 0.0001992000000000 ] - [ -0.0055252400000000, 0.0196321600000000, -0.0010834700000000 ] - [ 0.0049942500000000, 0.0047606900000000, -0.0009255200000000 ] - [ 0.0376831300000000, -0.0008183900000000, -0.0166225400000000 ] - [ -0.0052694100000000, 0.0019684700000000, -0.0014414400000000 ] - [ 0.0008327500000000, -0.0003248000000000, -0.0000270300000000 ] - [ 0.0003141000000000, -0.0002239500000000, -0.0000079800000000 ] - [ 0.0012483600000000, 0.0022622200000000, -0.0042781400000000 ] - [ -0.0014315900000000, 0.0012478200000000, -0.0005415900000000 ] - [ -0.0029583600000000, 0.0002123400000000, 0.0026316400000000 ] - [ 0.0009041900000000, -0.0002456100000000, 0.0007371100000000 ] - [ 0.0009839500000000, -0.0008841600000000, 0.0003850300000000 ] - [ 0.0020238500000000, -0.0021247300000000, 0.0005085400000000 ] - [ 0.0001359700000000, -0.0009324100000000, -0.0077867200000000 ] - [ 0.0027698800000000, -0.0021328200000000, -0.0014149000000000 ] - [ -0.0010335500000000, 0.0000885200000000, 0.0002416900000000 ] - [ -0.0011210000000000, 0.0003041400000000, 0.0007506300000000 ] - [ -0.0048235400000000, 0.0104213500000000, 0.0005372200000000 ] - [ 0.0029405800000000, 0.0062480000000000, 0.0027064600000000 ] - [ 0.0809958500000000, 0.1581987900000000, 0.0185098100000000 ] - [ 0.0000181900000000, 0.0021072600000000, -0.0003482100000000 ] - [ 0.0001234500000000, 0.0009374800000000, -0.0001723200000000 ] - [ -0.0002202100000000, 0.0005384000000000, -0.0003724000000000 ] - [ -0.0002417600000000, -0.0024884300000000, 0.0026657400000000 ] - [ 0.0005970500000000, 0.0000466200000000, -0.0007715200000000 ] - [ 0.0009292900000000, 0.0003478200000000, -0.0011438600000000 ] - [ -0.0002590100000000, 0.0002058800000000, -0.0008144800000000 ] - [ -0.0003123800000000, -0.0020144600000000, -0.0010728900000000 ] - [ -0.0016144400000000, -0.0013696000000000, -0.0006941700000000 ] - [ -0.0007531300000000, -0.0011451400000000, 0.0000263500000000 ] - [ -0.0003525100000000, -0.0007699700000000, -0.0001550600000000 ] - [ -0.0085161900000000, 0.0315165400000000, 0.0169443800000000 ] - [ -0.0028309800000000, 0.0004829700000000, -0.0001547300000000 ] - [ -0.0028686700000000, 0.0001784300000000, 0.0019531500000000 ] - [ -0.0026001700000000, 0.0003673300000000, -0.0004402900000000 ] - [ 0.0014485500000000, -0.0036278500000000, -0.0011779700000000 ] - [ 0.0013670100000000, -0.0012467100000000, -0.0007506500000000 ] - [ 0.0019268300000000, -0.0006130700000000, -0.0002302700000000 ] - [ 0.0020730800000000, -0.0005992700000000, -0.0003354000000000 ] - [ 0.0001165000000000, -0.0004006900000000, -0.0002083700000000 ] - [ 0.0002391500000000, -0.0004371700000000, -0.0002526100000000 ] - [ 0.0020408900000000, -0.0074380600000000, 0.0015654600000000 ] - [ 0.0004538200000000, -0.0023577900000000, 0.0004591300000000 ] - [ -0.0001766900000000, 0.0000137500000000, -0.0000777900000000 ] - [ -0.0000809600000000, 0.0001370700000000, -0.0002416400000000 ] - [ 0.0013771800000000, -0.0037623700000000, -0.0000442000000000 ] - [ -0.0041959100000000, -0.0016883200000000, -0.0001412700000000 ] - [ -0.1192461000000000, 0.1200142300000000, -0.0256866500000000 ] - [ -0.0014394000000000, 0.0011564100000000, -0.0001206100000000 ] - [ -0.0000028400000000, -0.0001943900000000, 0.0002754500000000 ] - [ 0.0005463200000000, -0.0003286400000000, -0.0003087200000000 ] - [ 0.0002039900000000, 0.0004513600000000, -0.0000035300000000 ] - [ -0.0009042100000000, 0.0004758200000000, 0.0001597400000000 ] - [ -0.0004246400000000, 0.0006803700000000, -0.0003486300000000 ] - [ -0.0008293300000000, -0.0005607800000000, -0.0074538700000000 ] - [ 0.0001132400000000, 0.0016208200000000, 0.0008638500000000 ] - [ -0.0001895700000000, 0.0004006900000000, 0.0004078600000000 ] - [ -0.0002985400000000, 0.0004928100000000, 0.0005446200000000 ] - [ 0.0015136800000000, 0.0034305700000000, -0.0005834300000000 ] - [ -0.0155359000000000, 0.0001413500000000, 0.0178253500000000 ] - [ 0.0006883100000000, 0.0008927500000000, 0.0001951200000000 ] - [ -0.0002325500000000, 0.0004664700000000, 0.0008102100000000 ] - [ 0.0003000400000000, 0.0007499900000000, 0.0005639400000000 ] - [ 0.0010896800000000, -0.0023462100000000, -0.0009746700000000 ] - [ -0.0001200600000000, 0.0000508000000000, 0.0001590200000000 ] - [ 0.0000797600000000, -0.0003702400000000, 0.0007857800000000 ] - [ 0.0008641900000000, -0.0008549700000000, 0.0011362900000000 ] - [ -0.0001502000000000, -0.0001210900000000, -0.0007923800000000 ] - [ -0.0009720900000000, 0.0007644300000000, -0.0017514900000000 ] - [ 0.0011834400000000, -0.0012716100000000, 0.0002610900000000 ] - [ -0.0005468000000000, 0.0000153500000000, -0.0000761500000000 ] - [ -0.0001360600000000, -0.0008055700000000, -0.0005632100000000 ] - [ 0.0000310600000000, -0.0007297300000000, -0.0007379600000000 ] - [ -0.0005107600000000, -0.0063341500000000, 0.0011160500000000 ] - [ -0.0028837500000000, -0.0030494800000000, 0.0004791200000000 ] - [ -0.0010616100000000, -0.0017262400000000, -0.0003860000000000 ] - [ -0.0002332300000000, -0.0012759600000000, -0.0006175000000000 ] - [ 0.0002525900000000, -0.0005151000000000, -0.0005926600000000 ] - [ -0.0001789300000000, -0.0001417800000000, -0.0004098700000000 ] - [ -0.0023944400000000, -0.0013837600000000, 0.0043055200000000 ] - [ 0.0008651100000000, -0.0012853700000000, 0.0018766700000000 ] - [ 0.0005928100000000, 0.0002706400000000, -0.0007466100000000 ] - [ -0.0004738500000000, 0.0001133000000000, -0.0002112600000000 ] - [ -0.0005142200000000, 0.0004196100000000, 0.0002415800000000 ] - [ -0.0003481600000000, 0.0003420700000000, 0.0000571800000000 ] - [ 0.0062387800000000, -0.0072891200000000, -0.0012189300000000 ] - [ -0.0022924500000000, 0.0003973300000000, -0.0002582900000000 ] - [ -0.0077352100000000, -0.0055571300000000, -0.0015549800000000 ] - [ 0.0020388200000000, 0.0001726100000000, -0.0000936100000000 ] - [ 0.0000149900000000, -0.0002501000000000, -0.0000543000000000 ] - [ 0.0001023900000000, -0.0002743800000000, 0.0002525700000000 ] - [ -0.0039568600000000, 0.0119652400000000, -0.0021411300000000 ] - [ 0.0019821400000000, 0.0061037100000000, 0.0020219800000000 ] - [ -0.0002860500000000, 0.0003502000000000, 0.0002173200000000 ] - [ 0.0000510700000000, 0.0002307400000000, 0.0004414200000000 ] - [ -0.0021582200000000, 0.0005278800000000, 0.0002328600000000 ] - [ -0.0019497600000000, 0.0005936200000000, -0.0002600800000000 ] - [ -0.0037140700000000, 0.0045976500000000, 0.0098013200000000 ] - [ -0.0021266000000000, 0.0011423000000000, 0.0015742400000000 ] - [ 0.0024619200000000, -0.0003287700000000, 0.0004516200000000 ] - [ 0.0023131900000000, -0.0000145800000000, -0.0003141500000000 ] - [ 0.0033637300000000, -0.0011314100000000, -0.0021151700000000 ] - [ 0.0021042900000000, -0.0004872100000000, -0.0018529100000000 ] - [ 0.0007525700000000, 0.0014719500000000, 0.0006880000000000 ] - [ 0.0002412800000000, 0.0006689200000000, -0.0001116500000000 ] - [ -0.0012144300000000, 0.0001982500000000, 0.0024746100000000 ] - [ 0.0007307200000000, 0.0011090600000000, 0.0005169500000000 ] - [ -0.0012568300000000, 0.0018890600000000, 0.0000710100000000 ] - [ -0.0006335000000000, -0.0000363500000000, 0.0008867300000000 ] - [ -0.0006491400000000, 0.0009647400000000, 0.0008039900000000 ] - [ -0.0019236700000000, 0.0003548300000000, -0.0010896200000000 ] - [ 0.0001880200000000, -0.0003840100000000, 0.0003727000000000 ] - [ 0.0001696200000000, -0.0005418200000000, 0.0003080000000000 ] - [ 0.0019598300000000, -0.0031830700000000, 0.0000106400000000 ] - [ -0.0054559700000000, -0.0085009900000000, -0.0007119100000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000382400000000, 0.0000744600000000, 0.0004715500000000 ] - [ 0.0000781100000000, -0.0001423900000000, 0.0003362500000000 ] - [ -0.0054492800000000, -0.0239699600000000, -0.0086853400000000 ] - [ 0.0002326600000000, -0.0002699100000000, 0.0001245700000000 ] - [ -0.0001267600000000, 0.0005455700000000, -0.0032972300000000 ] - [ -0.0001129200000000, 0.0001850700000000, -0.0005140800000000 ] - [ -0.0016881500000000, -0.0000005400000000, 0.0008959400000000 ] - [ 0.0015662200000000, 0.0014568800000000, 0.0029452600000000 ] - [ 0.0005650800000000, -0.0013276600000000, -0.0007056000000000 ] - [ -0.0007580400000000, -0.0019701500000000, -0.0031932900000000 ] - [ 0.0000907000000000, -0.0014378700000000, 0.0011810700000000 ] - [ -0.0001039900000000, -0.0003009300000000, 0.0003884900000000 ] - [ 0.0111680700000000, -0.0001993200000000, 0.0005394900000000 ] - [ -0.0215718700000000, 0.0021824000000000, 0.0045047100000000 ] - [ -0.0003572500000000, 0.0001605800000000, -0.0002411200000000 ] - [ 0.0002650100000000, 0.0002954900000000, -0.0004802100000000 ] - [ -0.0252630100000000, 0.3344201600000000, 0.0064529800000000 ] - [ -0.0015036900000000, 0.0029499600000000, -0.0009505400000000 ] - [ 0.0010697900000000, 0.0003428900000000, 0.0004807800000000 ] - [ 0.0014336500000000, 0.0004082900000000, -0.0014181100000000 ] - [ 0.0014431800000000, -0.0060509700000000, 0.0001074100000000 ] - [ -0.0020595300000000, -0.0013036700000000, 0.0002311600000000 ] - [ -0.0007766000000000, -0.0015166000000000, 0.0007392400000000 ] - [ -0.0002239200000000, -0.0020184500000000, 0.0006908100000000 ] - [ -0.0018051800000000, 0.0046884600000000, 0.0107452200000000 ] - [ -0.0015192600000000, 0.0018363000000000, 0.0000973200000000 ] - [ -0.0000368900000000, 0.0015588200000000, 0.0002037900000000 ] - [ -0.0014531200000000, 0.0040224500000000, -0.0064609100000000 ] - [ -0.0008259800000000, -0.0000809900000000, 0.0000873800000000 ] - [ -0.0005238800000000, 0.0000453900000000, -0.0002406600000000 ] - [ 0.0044365400000000, -0.0190897200000000, 0.0010429800000000 ] - [ -0.0061999800000000, -0.0041257200000000, 0.0008652000000000 ] - [ -0.0368803400000000, 0.0001599100000000, 0.0168858500000000 ] - [ 0.0064422400000000, -0.0025537500000000, 0.0014817900000000 ] - [ 0.0003371600000000, -0.0003069000000000, 0.0000951600000000 ] - [ 0.0008434900000000, -0.0004253300000000, 0.0000536500000000 ] - [ -0.0023794200000000, -0.0029428100000000, 0.0042086900000000 ] - [ 0.0002830200000000, -0.0019180300000000, 0.0004794000000000 ] - [ 0.0018056000000000, -0.0008811700000000, -0.0026468800000000 ] - [ -0.0020635000000000, -0.0004101500000000, -0.0007790100000000 ] - [ 0.0012338200000000, 0.0009309900000000, -0.0017264200000000 ] - [ 0.0002655400000000, 0.0021044700000000, -0.0019862900000000 ] - [ 0.0021647000000000, 0.0008830100000000, 0.0063312100000000 ] - [ -0.0004914600000000, 0.0020969000000000, -0.0000523500000000 ] - [ -0.0012540500000000, -0.0001332600000000, 0.0012203100000000 ] - [ -0.0011601900000000, -0.0003448000000000, 0.0007193900000000 ] - [ 0.0024482300000000, -0.0104406300000000, 0.0009314600000000 ] - [ -0.0051995400000000, -0.0062682500000000, -0.0012482100000000 ] - [ -0.0757888800000000, -0.1508606000000000, -0.0177158800000000 ] - [ -0.0003005400000000, -0.0011573000000000, -0.0003557000000000 ] - [ -0.0004096600000000, 0.0000159700000000, -0.0005357800000000 ] - [ -0.0000710700000000, 0.0004086100000000, -0.0003395300000000 ] - [ 0.0002564800000000, 0.0036623900000000, -0.0038635100000000 ] - [ -0.0005673300000000, 0.0011362500000000, -0.0004722400000000 ] - [ -0.0008888900000000, 0.0008280500000000, -0.0001105200000000 ] - [ 0.0002962200000000, 0.0009710700000000, -0.0004360300000000 ] - [ -0.0006541000000000, 0.0010304000000000, 0.0009792100000000 ] - [ 0.0006685800000000, 0.0003897300000000, 0.0005912100000000 ] - [ -0.0001988500000000, 0.0001591900000000, -0.0001400600000000 ] - [ -0.0006042800000000, -0.0002154100000000, 0.0000439800000000 ] - [ 0.0041793500000000, -0.0318366700000000, -0.0155385900000000 ] - [ -0.0013239700000000, -0.0011588900000000, 0.0008881900000000 ] - [ -0.0012904600000000, -0.0008492400000000, -0.0012399500000000 ] - [ -0.0015607300000000, -0.0010382100000000, 0.0011600400000000 ] - [ 0.0027135700000000, 0.0029593900000000, 0.0004869900000000 ] - [ 0.0027946500000000, 0.0005782500000000, 0.0000367200000000 ] - [ 0.0022321600000000, -0.0000625000000000, -0.0005026000000000 ] - [ 0.0020847600000000, -0.0000742000000000, -0.0003955100000000 ] - [ 0.0000943500000000, -0.0000156600000000, -0.0003243100000000 ] - [ -0.0000281800000000, 0.0000236900000000, -0.0002794200000000 ] - [ -0.0018454600000000, 0.0070348600000000, -0.0021085800000000 ] - [ -0.0002288300000000, 0.0019405300000000, -0.0009894300000000 ] - [ 0.0000143500000000, 0.0002847600000000, 0.0001181300000000 ] - [ -0.0000881000000000, 0.0001592400000000, 0.0002838800000000 ] - [ -0.0015503800000000, 0.0040205600000000, 0.0001098800000000 ] - [ 0.0040689800000000, 0.0020054400000000, 0.0001886900000000 ] - [ 0.1152435700000000, -0.1185706700000000, 0.0247567000000000 ] - [ 0.0024016900000000, -0.0021420800000000, 0.0002314900000000 ] - [ 0.0009596700000000, -0.0007881100000000, -0.0001723200000000 ] - [ 0.0004053800000000, -0.0006552900000000, 0.0004154100000000 ] - [ -0.0000722900000000, -0.0001044100000000, -0.0000951300000000 ] - [ 0.0010649400000000, -0.0001707800000000, -0.0002046100000000 ] - [ 0.0005897500000000, -0.0003763700000000, 0.0002991800000000 ] - [ 0.0009733200000000, 0.0008725600000000, 0.0073757000000000 ] - [ -0.0003559800000000, -0.0020414300000000, -0.0003523700000000 ] - [ -0.0000055000000000, -0.0008062400000000, 0.0001285800000000 ] - [ 0.0000882800000000, -0.0009086200000000, -0.0000141400000000 ] - [ -0.0017201300000000, -0.0038356100000000, 0.0011395500000000 ] - [ 0.0153724900000000, 0.0006360300000000, -0.0168319700000000 ] - [ -0.0006955800000000, 0.0002710100000000, 0.0010536000000000 ] - [ 0.0001975200000000, 0.0007051300000000, 0.0004321000000000 ] - [ -0.0003384200000000, 0.0004237600000000, 0.0006845900000000 ] - [ -0.0008001900000000, 0.0033007000000000, 0.0017006700000000 ] - [ 0.0004137100000000, 0.0008929800000000, 0.0005506800000000 ] - [ 0.0002094600000000, 0.0013187600000000, -0.0000824700000000 ] - [ -0.0005800600000000, 0.0018091500000000, -0.0004369500000000 ] - [ -0.0001259300000000, -0.0008610100000000, 0.0000922600000000 ] - [ 0.0006900400000000, -0.0017297500000000, 0.0010576000000000 ] - [ -0.0014625800000000, 0.0003054300000000, -0.0009600300000000 ] - [ 0.0002612500000000, -0.0009679100000000, -0.0006327900000000 ] - [ 0.0001750800000000, -0.0003724300000000, -0.0006881400000000 ] - [ 0.0000053400000000, -0.0004457400000000, -0.0005107500000000 ] - [ 0.0005416500000000, 0.0051730800000000, -0.0023661300000000 ] - [ 0.0029459500000000, 0.0018827800000000, -0.0017316500000000 ] - [ 0.0012681200000000, 0.0021454600000000, -0.0001428100000000 ] - [ 0.0004540300000000, 0.0017105600000000, 0.0000962200000000 ] - [ -0.0000430600000000, 0.0009323000000000, 0.0000553900000000 ] - [ 0.0003920300000000, 0.0005595700000000, -0.0001234900000000 ] - [ 0.0022261300000000, 0.0010979900000000, -0.0042580300000000 ] - [ -0.0010410700000000, 0.0009952000000000, -0.0018304900000000 ] - [ -0.0007610800000000, -0.0005638700000000, 0.0007811000000000 ] - [ 0.0003103800000000, -0.0004124600000000, 0.0002519600000000 ] - [ -0.0004404700000000, 0.0005666400000000, -0.0003490600000000 ] - [ -0.0006113600000000, 0.0006459500000000, -0.0001692700000000 ] - [ -0.0071148000000000, 0.0081965400000000, 0.0010841000000000 ] - [ 0.0013463600000000, 0.0005854400000000, 0.0001506600000000 ] - [ 0.0079092500000000, 0.0052551400000000, 0.0014998600000000 ] - [ -0.0019048500000000, -0.0004972400000000, 0.0000415000000000 ] - [ 0.0001449700000000, -0.0000578700000000, 0.0000007900000000 ] - [ 0.0000610000000000, -0.0000288500000000, -0.0003003600000000 ] - [ 0.0037851600000000, -0.0116110700000000, 0.0026774800000000 ] - [ -0.0021420300000000, -0.0057186400000000, -0.0014681000000000 ] - [ 0.0000723200000000, 0.0000636300000000, 0.0003107900000000 ] - [ -0.0002606900000000, 0.0001831300000000, 0.0000904500000000 ] - [ -0.0020019300000000, 0.0001272700000000, 0.0004268000000000 ] - [ -0.0022126100000000, 0.0000762800000000, 0.0009852200000000 ] - [ -0.0004405400000000, -0.0039560400000000, -0.0091562500000000 ] - [ -0.0020284400000000, -0.0004709400000000, -0.0008493800000000 ] - [ 0.0016937800000000, 0.0010041100000000, -0.0011625200000000 ] - [ 0.0018424200000000, 0.0006918800000000, -0.0004103200000000 ] - [ 0.0008079900000000, 0.0018058300000000, 0.0013628000000000 ] - [ 0.0020494000000000, 0.0011620400000000, 0.0011348600000000 ] - [ 0.0001928000000000, -0.0005123500000000, -0.0005965200000000 ] - [ 0.0007143500000000, 0.0003133200000000, 0.0002209100000000 ] - [ 0.0021347300000000, 0.0007635400000000, -0.0023696800000000 ] - [ 0.0002213800000000, -0.0001281200000000, -0.0004084600000000 ] - [ 0.0012391800000000, -0.0030402700000000, 0.0011443000000000 ] - [ 0.0006003000000000, -0.0011380000000000, 0.0003616500000000 ] - [ 0.0006143900000000, -0.0021361500000000, 0.0004406400000000 ] - [ 0.0018886200000000, -0.0015263500000000, 0.0023403800000000 ] - [ 0.0001043600000000, -0.0005592600000000, 0.0003319300000000 ] - [ 0.0001172800000000, -0.0004089000000000, 0.0003978600000000 ] - [ -0.0016534200000000, 0.0022573600000000, 0.0007019000000000 ] - [ 0.0057326500000000, 0.0075540800000000, 0.0014150300000000 ]- atom: 17 displacement: [ -0.0045611250918810, 0.0000000000000000, 0.0088992211960493 ] forces: - [ -0.0002892100000000, 0.0000917200000000, 0.0015952500000000 ] - [ 0.0003717000000000, -0.0007760700000000, 0.0035629900000000 ] - [ 0.0032594400000000, 0.0007310600000000, -0.0014847200000000 ] - [ -0.0010961800000000, 0.0000602600000000, -0.0007812200000000 ] - [ 0.0042854700000000, 0.0047603500000000, 0.0027142700000000 ] - [ -0.0021343400000000, 0.0006745300000000, 0.0005312100000000 ] - [ -0.0038869600000000, -0.0007906200000000, 0.0002006400000000 ] - [ 0.0045093500000000, -0.0021516500000000, 0.0014041500000000 ] - [ -0.0006284900000000, 0.0016835200000000, -0.0002184400000000 ] - [ 0.0003441300000000, -0.0007695800000000, -0.0027835400000000 ] - [ 0.0001917000000000, -0.0024013800000000, 0.0025578200000000 ] - [ -0.0002323300000000, 0.0003524900000000, 0.0012599300000000 ] - [ -0.0094847000000000, 0.0046138600000000, -0.0036075900000000 ] - [ -0.0080045000000000, -0.0068178900000000, -0.0055486500000000 ] - [ -0.0003084600000000, -0.0003922100000000, 0.0019384600000000 ] - [ 0.0002158700000000, 0.0001127900000000, 0.0016311300000000 ] - [ 0.1606632900000000, -0.0181743000000000, -0.2977850700000000 ] - [ -0.0043242800000000, -0.0009938900000000, -0.0032420000000000 ] - [ -0.0016449100000000, -0.0010883900000000, 0.0060667100000000 ] - [ 0.0026544000000000, 0.0007617700000000, 0.0026546400000000 ] - [ 0.0021594200000000, -0.0017043600000000, -0.0025176100000000 ] - [ -0.0030906000000000, -0.0000123800000000, -0.0005302300000000 ] - [ -0.0027608300000000, -0.0001591500000000, 0.0029930300000000 ] - [ 0.0004808500000000, -0.0004473600000000, 0.0025342000000000 ] - [ 0.0209044200000000, -0.0220027700000000, 0.0263214000000000 ] - [ -0.0028370800000000, -0.0002669600000000, -0.0007938600000000 ] - [ -0.0033324600000000, 0.0008671500000000, 0.0025878100000000 ] - [ 0.0061806000000000, 0.0038951300000000, 0.0027900800000000 ] - [ -0.0014807600000000, 0.0010991400000000, 0.0025276300000000 ] - [ 0.0013193400000000, 0.0013226900000000, 0.0020009200000000 ] - [ 0.0042024500000000, -0.0043106400000000, -0.0066115900000000 ] - [ -0.0061254200000000, -0.0012980400000000, -0.0016001900000000 ] - [ -0.0175801100000000, -0.0151853900000000, -0.0038535400000000 ] - [ -0.0040301800000000, 0.0078311000000000, -0.0042917700000000 ] - [ 0.0016980000000000, 0.0021939100000000, 0.0054373400000000 ] - [ 0.0015173700000000, -0.0000516700000000, 0.0025269600000000 ] - [ -0.0031218600000000, -0.0057313500000000, 0.0030947600000000 ] - [ 0.0020424200000000, -0.0020546800000000, -0.0006879900000000 ] - [ -0.0008698300000000, 0.0018703200000000, 0.0018177000000000 ] - [ -0.0007289100000000, 0.0004822700000000, 0.0000368800000000 ] - [ -0.0128810500000000, 0.0058199400000000, 0.0227575300000000 ] - [ 0.0033187700000000, 0.0013393300000000, -0.0012598300000000 ] - [ -0.0065004600000000, -0.0010152300000000, 0.0262892600000000 ] - [ 0.0017568600000000, -0.0007247200000000, -0.0020691200000000 ] - [ -0.0021763600000000, -0.0005017100000000, 0.0033500400000000 ] - [ -0.0006400800000000, -0.0000108200000000, 0.0021630100000000 ] - [ -0.0028123100000000, 0.0014505700000000, -0.0005087800000000 ] - [ -0.0009947300000000, -0.0001260700000000, -0.0013960000000000 ] - [ -0.0285618500000000, -0.0145835100000000, 0.0232429200000000 ] - [ 0.0020557500000000, 0.0014039500000000, 0.0004734000000000 ] - [ -0.0003219100000000, 0.0000596700000000, -0.0013747800000000 ] - [ -0.0010014300000000, -0.0005594800000000, -0.0017621600000000 ] - [ 0.0009412700000000, 0.0036538900000000, -0.0010039400000000 ] - [ -0.0001862900000000, 0.0011005500000000, -0.0000020900000000 ] - [ 0.0004688700000000, -0.0000932400000000, -0.0013887400000000 ] - [ -0.0005538400000000, 0.0002334500000000, -0.0009136300000000 ] - [ -0.0021634100000000, -0.0015996500000000, 0.0007725000000000 ] - [ 0.0005737600000000, 0.0000836400000000, 0.0007642600000000 ] - [ 0.0005846700000000, 0.0003295000000000, -0.0010087200000000 ] - [ -0.0011074600000000, -0.0008053100000000, -0.0006625200000000 ] - [ -0.0555562200000000, 0.0078832100000000, 0.2177979400000000 ] - [ -0.0011410100000000, -0.0008419500000000, 0.0023366700000000 ] - [ -0.0000983200000000, -0.0005990400000000, -0.0060127000000000 ] - [ -0.0028460000000000, 0.0002223600000000, -0.0019491000000000 ] - [ 0.0013043800000000, 0.0003300500000000, 0.0034776900000000 ] - [ 0.0026341200000000, 0.0001726100000000, 0.0014655000000000 ] - [ 0.0025471900000000, -0.0005801200000000, -0.0028774500000000 ] - [ 0.0018292300000000, -0.0006727000000000, -0.0023786800000000 ] - [ 0.0002973100000000, -0.0002725900000000, -0.0006818400000000 ] - [ -0.0002602100000000, 0.0002101100000000, -0.0008944700000000 ] - [ -0.0012183500000000, 0.0014345200000000, 0.0001262800000000 ] - [ 0.0013408200000000, -0.0005339200000000, 0.0001410700000000 ] - [ 0.0003602300000000, -0.0002252500000000, -0.0011845700000000 ] - [ -0.0010309900000000, -0.0009199900000000, -0.0016669400000000 ] - [ -0.0031375200000000, 0.0033643800000000, 0.0028348600000000 ] - [ 0.0025081400000000, 0.0015546700000000, 0.0012202100000000 ] - [ -0.0635494200000000, 0.0362782600000000, 0.0168480200000000 ] - [ 0.0025906400000000, -0.0007577600000000, 0.0009638800000000 ] - [ 0.0020136500000000, -0.0007124800000000, -0.0017623200000000 ] - [ -0.0000590300000000, -0.0002884400000000, -0.0009211300000000 ] - [ -0.0035658400000000, 0.0057180100000000, -0.0086984600000000 ] - [ 0.0009458500000000, 0.0002753100000000, -0.0005813800000000 ] - [ 0.0014212200000000, -0.0007277900000000, 0.0002886100000000 ] - [ -0.0009452100000000, -0.0008159700000000, 0.0003619800000000 ] - [ -0.0050850600000000, -0.0006571400000000, -0.0035128200000000 ] - [ 0.0023506100000000, 0.0010799800000000, 0.0004662000000000 ] - [ 0.0014452900000000, 0.0000476600000000, 0.0002570800000000 ] - [ -0.0041959900000000, -0.0035501800000000, -0.0038606300000000 ] - [ 0.0039773000000000, 0.0088535400000000, 0.0053155300000000 ] - [ 0.0038656700000000, 0.0001914800000000, 0.0006286500000000 ] - [ 0.0011530800000000, 0.0008006400000000, -0.0010920700000000 ] - [ -0.0006124700000000, 0.0006039100000000, -0.0001118000000000 ] - [ -0.0010057900000000, 0.0003135600000000, 0.0014917400000000 ] - [ 0.0017099600000000, -0.0005766800000000, 0.0005545300000000 ] - [ 0.0007778000000000, 0.0010068400000000, -0.0003031700000000 ] - [ -0.0015561800000000, 0.0022023400000000, -0.0004142800000000 ] - [ 0.0021713100000000, -0.0037221700000000, -0.0004390700000000 ] - [ -0.0010291200000000, -0.0014510100000000, 0.0004809400000000 ] - [ -0.0037558400000000, 0.0048169600000000, -0.0042156200000000 ] - [ 0.0002803700000000, -0.0003614400000000, -0.0004718700000000 ] - [ 0.0008539000000000, -0.0006379100000000, -0.0015951900000000 ] - [ -0.0006583900000000, -0.0006662500000000, -0.0008714000000000 ] - [ -0.0019099200000000, 0.0005323400000000, 0.0008094000000000 ] - [ 0.0024267200000000, -0.0008085300000000, -0.0008628100000000 ] - [ 0.0014804400000000, 0.0022096000000000, 0.0002737600000000 ] - [ -0.0003053000000000, 0.0009151100000000, 0.0004856500000000 ] - [ -0.0002780100000000, -0.0004467800000000, -0.0009383700000000 ] - [ 0.0001017100000000, -0.0001981400000000, -0.0006573900000000 ] - [ 0.0021089100000000, 0.0028162300000000, -0.0011673500000000 ] - [ -0.0021711700000000, -0.0005164000000000, 0.0035788400000000 ] - [ -0.0001385300000000, -0.0009236900000000, -0.0010332500000000 ] - [ 0.0004866000000000, -0.0002103500000000, -0.0006890000000000 ] - [ -0.0000332300000000, 0.0005594900000000, -0.0009022000000000 ] - [ -0.0014499100000000, 0.0009832100000000, -0.0006864600000000 ] - [ 0.0002235700000000, -0.0017699300000000, 0.0002223100000000 ] - [ -0.0001889500000000, 0.0004011900000000, 0.0004296600000000 ] - [ 0.0039073400000000, 0.0038632000000000, 0.0046357900000000 ] - [ -0.0008574400000000, -0.0022879800000000, 0.0008365900000000 ] - [ -0.0003508200000000, -0.0010553400000000, -0.0019943600000000 ] - [ 0.0000315900000000, -0.0002631600000000, -0.0019074700000000 ] - [ 0.0042461900000000, 0.0007713600000000, 0.0015129900000000 ] - [ 0.0033010600000000, -0.0075897100000000, 0.0079349900000000 ] - [ -0.0005192800000000, 0.0004408000000000, -0.0007595700000000 ] - [ -0.0003209700000000, 0.0005297700000000, -0.0008272500000000 ] - [ -0.0013841100000000, -0.0012166000000000, -0.0095473400000000 ] - [ -0.0027350300000000, -0.0002404200000000, -0.0010378300000000 ] - [ -0.0023528500000000, 0.0037244100000000, -0.0093576800000000 ] - [ -0.0013295800000000, 0.0009197200000000, 0.0028722800000000 ] - [ 0.0018868800000000, 0.0010910000000000, -0.0020602300000000 ] - [ 0.0020408100000000, 0.0005230400000000, -0.0008964300000000 ] - [ 0.0026712500000000, 0.0000368700000000, -0.0007038800000000 ] - [ 0.0019647000000000, 0.0000916100000000, 0.0004368200000000 ] - [ 0.0022740500000000, -0.0013628000000000, -0.0057793400000000 ] - [ 0.0004262700000000, 0.0000943500000000, -0.0002711800000000 ] - [ 0.0081175400000000, 0.0037291400000000, -0.0026630400000000 ] - [ -0.0006803100000000, 0.0005956000000000, 0.0005574600000000 ] - [ -0.0006329300000000, 0.0015964700000000, -0.0017072200000000 ] - [ 0.0010499300000000, -0.0006370700000000, 0.0002179800000000 ] - [ 0.0038848900000000, -0.0032324000000000, -0.0018049700000000 ] - [ -0.0024013600000000, -0.0003360800000000, 0.0013656300000000 ] - [ 0.0002796900000000, -0.0004230600000000, -0.0007161600000000 ] - [ -0.0002274100000000, -0.0009790400000000, -0.0003334500000000 ] - [ 0.0014641800000000, -0.0011360800000000, 0.0007522600000000 ] - [ 0.0000150500000000, 0.0001413700000000, 0.0009108900000000 ]- atom: 17 displacement: [ 0.0045611250918810, 0.0000000000000000, -0.0088992211960493 ] forces: - [ 0.0003831700000000, -0.0000600500000000, -0.0011457700000000 ] - [ -0.0002806200000000, 0.0008048500000000, -0.0031130900000000 ] - [ -0.0031662300000000, -0.0007842000000000, 0.0018454500000000 ] - [ 0.0011867300000000, -0.0000290000000000, 0.0012094800000000 ] - [ -0.0043866800000000, -0.0047297200000000, -0.0031663800000000 ] - [ 0.0020425900000000, -0.0006450500000000, -0.0009668800000000 ] - [ 0.0037533600000000, 0.0008091200000000, -0.0006463500000000 ] - [ -0.0045491800000000, 0.0021621300000000, -0.0018494300000000 ] - [ 0.0007239700000000, -0.0017155800000000, 0.0006628800000000 ] - [ -0.0002491800000000, 0.0007341200000000, 0.0032172900000000 ] - [ -0.0000970800000000, 0.0023388600000000, -0.0021011700000000 ] - [ 0.0003217600000000, -0.0003805700000000, -0.0008188700000000 ] - [ 0.0094521700000000, -0.0046263000000000, 0.0030882400000000 ] - [ 0.0078909100000000, 0.0068213400000000, 0.0052052300000000 ] - [ 0.0002101400000000, 0.0003633300000000, -0.0023750200000000 ] - [ -0.0003034100000000, -0.0001375000000000, -0.0020629700000000 ] - [ -0.1605767900000000, 0.0197334400000000, 0.3120349500000000 ] - [ 0.0065937700000000, 0.0010225300000000, 0.0017605000000000 ] - [ 0.0039121500000000, 0.0011137400000000, -0.0074853500000000 ] - [ -0.0003713700000000, -0.0007293300000000, -0.0041138600000000 ] - [ -0.0044490800000000, 0.0017187700000000, 0.0040044100000000 ] - [ 0.0008156300000000, 0.0000330700000000, 0.0020067900000000 ] - [ 0.0004745400000000, 0.0001802300000000, -0.0015200500000000 ] - [ -0.0027443500000000, 0.0004684500000000, -0.0010608000000000 ] - [ -0.0198559100000000, 0.0226861100000000, -0.0262003500000000 ] - [ 0.0040079500000000, 0.0009169300000000, 0.0008398200000000 ] - [ 0.0044474400000000, -0.0001978200000000, -0.0025364100000000 ] - [ -0.0049770800000000, -0.0031917400000000, -0.0027624000000000 ] - [ 0.0003180200000000, -0.0004498300000000, -0.0025585300000000 ] - [ -0.0024750100000000, -0.0006712800000000, -0.0020354200000000 ] - [ -0.0053563300000000, 0.0049794700000000, 0.0065334700000000 ] - [ 0.0049450400000000, 0.0019391700000000, 0.0015420900000000 ] - [ 0.0186748800000000, 0.0144112000000000, 0.0036879700000000 ] - [ 0.0051795100000000, -0.0084479300000000, 0.0043038800000000 ] - [ -0.0005394200000000, -0.0028382900000000, -0.0053744200000000 ] - [ -0.0003456100000000, -0.0005985300000000, -0.0024646900000000 ] - [ 0.0019512600000000, 0.0050999200000000, -0.0031483200000000 ] - [ -0.0031787000000000, 0.0013764100000000, 0.0006561300000000 ] - [ -0.0002870900000000, -0.0024921900000000, -0.0018714900000000 ] - [ -0.0004428300000000, -0.0011213300000000, -0.0000946500000000 ] - [ 0.0151481000000000, -0.0058166200000000, -0.0241878700000000 ] - [ -0.0010260400000000, -0.0013592800000000, -0.0002006700000000 ] - [ 0.0086178300000000, 0.0009792100000000, -0.0272766500000000 ] - [ 0.0005167700000000, 0.0006955200000000, 0.0005810700000000 ] - [ -0.0001066200000000, 0.0004718900000000, -0.0018662300000000 ] - [ -0.0016359700000000, -0.0000186100000000, -0.0006723500000000 ] - [ 0.0005502400000000, -0.0015134200000000, 0.0019556500000000 ] - [ -0.0013107800000000, 0.0000694200000000, 0.0028463700000000 ] - [ 0.0279486900000000, 0.0150896800000000, -0.0241108000000000 ] - [ -0.0023497900000000, -0.0004530100000000, -0.0011745000000000 ] - [ 0.0000234600000000, 0.0008830600000000, 0.0006597100000000 ] - [ 0.0007062700000000, 0.0015051000000000, 0.0010493200000000 ] - [ -0.0008883300000000, -0.0024850400000000, -0.0002577500000000 ] - [ 0.0002145200000000, 0.0000831500000000, -0.0012486900000000 ] - [ -0.0004271700000000, 0.0012639700000000, 0.0001355500000000 ] - [ 0.0005936900000000, 0.0009404400000000, -0.0003377200000000 ] - [ 0.0012044700000000, 0.0006219900000000, -0.0008831400000000 ] - [ -0.0015343700000000, -0.0010654100000000, -0.0008727600000000 ] - [ -0.0015398700000000, -0.0013043800000000, 0.0008954600000000 ] - [ 0.0001384800000000, -0.0001808900000000, 0.0005522100000000 ] - [ 0.0540649600000000, -0.0095728600000000, -0.2320713500000000 ] - [ -0.0030210500000000, 0.0001716700000000, -0.0016066800000000 ] - [ -0.0040393900000000, -0.0000801800000000, 0.0066821000000000 ] - [ -0.0013213000000000, -0.0008908400000000, 0.0026734000000000 ] - [ 0.0028582000000000, -0.0009928400000000, -0.0042110500000000 ] - [ 0.0015305500000000, -0.0008389400000000, -0.0021966800000000 ] - [ 0.0016182900000000, -0.0000886300000000, 0.0021391200000000 ] - [ 0.0023329500000000, 0.0000038700000000, 0.0016401200000000 ] - [ -0.0000883400000000, -0.0001336100000000, 0.0001455800000000 ] - [ 0.0004705300000000, -0.0006167800000000, 0.0003589000000000 ] - [ 0.0014254800000000, -0.0018288300000000, -0.0006539700000000 ] - [ -0.0011288100000000, 0.0001267900000000, -0.0006696700000000 ] - [ -0.0005221700000000, 0.0005211700000000, 0.0012200800000000 ] - [ 0.0008671300000000, 0.0012140400000000, 0.0017025500000000 ] - [ 0.0029574000000000, -0.0030496200000000, -0.0027576900000000 ] - [ -0.0026499500000000, -0.0012459700000000, -0.0011632600000000 ] - [ 0.0647612200000000, -0.0373310800000000, -0.0174774900000000 ] - [ -0.0016177100000000, -0.0002285700000000, -0.0008552800000000 ] - [ -0.0010378700000000, -0.0002759800000000, 0.0018609300000000 ] - [ 0.0010199200000000, -0.0006969200000000, 0.0010274300000000 ] - [ 0.0036974800000000, -0.0053744800000000, 0.0085943900000000 ] - [ -0.0007849500000000, 0.0000210300000000, 0.0005358900000000 ] - [ -0.0012442200000000, 0.0010085600000000, -0.0003167100000000 ] - [ 0.0011022900000000, 0.0010983500000000, -0.0003681900000000 ] - [ 0.0048352600000000, 0.0002162600000000, 0.0040167800000000 ] - [ -0.0025611400000000, -0.0014910000000000, 0.0000653400000000 ] - [ -0.0016410800000000, -0.0004569600000000, 0.0002778300000000 ] - [ 0.0039276100000000, 0.0030940900000000, 0.0043617700000000 ] - [ -0.0040004600000000, -0.0076381900000000, -0.0039552600000000 ] - [ -0.0038770000000000, 0.0009680500000000, 0.0006215000000000 ] - [ -0.0011856500000000, 0.0003787500000000, 0.0023339600000000 ] - [ 0.0005634400000000, 0.0005723600000000, 0.0013599100000000 ] - [ 0.0012981700000000, 0.0006438800000000, -0.0007840800000000 ] - [ -0.0014191900000000, 0.0015305000000000, 0.0001512400000000 ] - [ -0.0004782800000000, -0.0000509500000000, 0.0010091100000000 ] - [ 0.0018316800000000, -0.0012338400000000, 0.0011200700000000 ] - [ -0.0024599600000000, 0.0027603600000000, -0.0002613800000000 ] - [ 0.0007334500000000, 0.0004974800000000, -0.0011892700000000 ] - [ 0.0034272000000000, -0.0057133900000000, 0.0034607200000000 ] - [ -0.0005672000000000, -0.0005897600000000, -0.0002346500000000 ] - [ -0.0008085200000000, -0.0005371500000000, 0.0003388400000000 ] - [ 0.0006998300000000, -0.0005083800000000, -0.0003845800000000 ] - [ 0.0019429200000000, -0.0016997900000000, -0.0020428000000000 ] - [ -0.0023721500000000, -0.0003577500000000, -0.0003876400000000 ] - [ -0.0012662200000000, -0.0018004500000000, -0.0008077400000000 ] - [ 0.0005184800000000, -0.0004909900000000, -0.0010157600000000 ] - [ 0.0004855800000000, 0.0008527500000000, 0.0004044300000000 ] - [ 0.0001108400000000, 0.0006062700000000, 0.0001250900000000 ] - [ -0.0022804700000000, -0.0031360600000000, 0.0012124400000000 ] - [ 0.0019851400000000, 0.0002418400000000, -0.0035756000000000 ] - [ -0.0000257300000000, 0.0006156200000000, 0.0010753500000000 ] - [ -0.0006408100000000, -0.0000894400000000, 0.0007328800000000 ] - [ -0.0009285400000000, 0.0004249800000000, 0.0007885200000000 ] - [ 0.0004851700000000, 0.0000033600000000, 0.0005695600000000 ] - [ -0.0012146700000000, 0.0027730000000000, -0.0003112200000000 ] - [ -0.0007578100000000, 0.0005818700000000, -0.0005324300000000 ] - [ -0.0037679600000000, -0.0041584500000000, -0.0046329600000000 ] - [ 0.0010138900000000, 0.0019832800000000, -0.0008824100000000 ] - [ 0.0005133200000000, 0.0007574600000000, 0.0019475200000000 ] - [ 0.0001294500000000, -0.0000314200000000, 0.0018511500000000 ] - [ -0.0044693300000000, -0.0003728200000000, -0.0009537200000000 ] - [ -0.0034161100000000, 0.0079854900000000, -0.0074721100000000 ] - [ 0.0003073500000000, -0.0000304200000000, 0.0012887500000000 ] - [ 0.0001062300000000, -0.0001180300000000, 0.0013506700000000 ] - [ -0.0027762700000000, 0.0018792400000000, 0.0102067900000000 ] - [ -0.0014314200000000, 0.0009053800000000, 0.0017546600000000 ] - [ -0.0020274400000000, -0.0030446200000000, 0.0101414700000000 ] - [ -0.0028300500000000, -0.0002481800000000, -0.0021237500000000 ] - [ 0.0022785800000000, -0.0004210600000000, 0.0013207100000000 ] - [ 0.0021167500000000, 0.0001529600000000, 0.0001505400000000 ] - [ 0.0014863700000000, 0.0006333800000000, -0.0000017200000000 ] - [ 0.0021985900000000, 0.0005770500000000, -0.0011422000000000 ] - [ -0.0013252900000000, 0.0023178200000000, 0.0058586900000000 ] - [ 0.0005351000000000, 0.0008882500000000, 0.0003763400000000 ] - [ -0.0070919600000000, -0.0027262500000000, 0.0027697000000000 ] - [ 0.0016396000000000, 0.0003904000000000, -0.0004410600000000 ] - [ 0.0006589200000000, -0.0027833000000000, 0.0029314000000000 ] - [ -0.0010974100000000, -0.0005398300000000, 0.0010327600000000 ] - [ -0.0038841000000000, 0.0020236700000000, 0.0030355300000000 ] - [ 0.0023456000000000, -0.0008413900000000, -0.0000943300000000 ] - [ 0.0000147600000000, -0.0005286800000000, 0.0014211500000000 ] - [ 0.0005156100000000, 0.0000236700000000, 0.0010369800000000 ] - [ -0.0011802400000000, 0.0002000300000000, -0.0000272700000000 ] - [ 0.0003303300000000, -0.0010340400000000, -0.0001908200000000 ]- atom: 25 displacement: [ 0.0099996083916704, 0.0000000000000000, -0.0000884986623371 ] forces: - [ 0.0024736800000000, 0.0004134900000000, -0.0002519900000000 ] - [ -0.0030814300000000, -0.0029188800000000, 0.0102065100000000 ] - [ -0.0005971800000000, 0.0016246700000000, 0.0025652900000000 ] - [ 0.0008492600000000, -0.0003813500000000, -0.0013684600000000 ] - [ -0.0073266100000000, 0.0104824600000000, 0.0007990800000000 ] - [ 0.0051682100000000, -0.0002068100000000, -0.0007797200000000 ] - [ -0.0002823800000000, -0.0000412500000000, -0.0005829200000000 ] - [ 0.0001854900000000, -0.0002065500000000, 0.0005908200000000 ] - [ 0.0004744600000000, -0.0000671700000000, 0.0016718100000000 ] - [ -0.0001800300000000, -0.0023313300000000, -0.0013847800000000 ] - [ 0.0003698800000000, -0.0001856500000000, 0.0009019900000000 ] - [ -0.0002932000000000, -0.0001244800000000, -0.0000660300000000 ] - [ -0.0014059300000000, 0.0027977100000000, -0.0107296900000000 ] - [ 0.0033702900000000, -0.0003780300000000, 0.0028886900000000 ] - [ -0.0021697500000000, 0.0004345700000000, -0.0043507100000000 ] - [ 0.0013256500000000, 0.0003337300000000, 0.0007959500000000 ] - [ -0.0119563600000000, 0.0025266600000000, 0.0152053600000000 ] - [ 0.0049489900000000, 0.0020958000000000, -0.0026103100000000 ] - [ 0.0049150700000000, 0.0006235500000000, -0.0031888300000000 ] - [ 0.0002745200000000, 0.0019960500000000, 0.0050677700000000 ] - [ -0.0169424100000000, 0.0049743200000000, -0.0019476100000000 ] - [ 0.0091133800000000, -0.0055839300000000, -0.0002062500000000 ] - [ -0.0006496100000000, -0.0002350200000000, -0.0000441500000000 ] - [ -0.0016164100000000, 0.0000661600000000, 0.0026069700000000 ] - [ -0.3540879000000000, 0.0016598600000000, 0.0042903400000000 ] - [ 0.0137501500000000, 0.0006542700000000, -0.0000392200000000 ] - [ 0.0002142500000000, 0.0009443500000000, -0.0009629100000000 ] - [ 0.0012550900000000, -0.0000413700000000, 0.0020817500000000 ] - [ 0.0025111800000000, -0.0002054700000000, -0.0006596700000000 ] - [ -0.0022490300000000, -0.0001323300000000, 0.0014345100000000 ] - [ -0.0024433100000000, -0.0001826500000000, 0.0005890700000000 ] - [ 0.0006061900000000, -0.0005733800000000, -0.0011276300000000 ] - [ -0.0028769100000000, 0.0002978600000000, -0.0015467200000000 ] - [ 0.0036304900000000, -0.0016384400000000, 0.0013153200000000 ] - [ -0.0029163200000000, -0.0039705800000000, -0.0045889100000000 ] - [ 0.0036531900000000, 0.0008587600000000, 0.0028667500000000 ] - [ 0.0250332400000000, 0.0169873900000000, 0.0003186000000000 ] - [ 0.0349994000000000, -0.0304773600000000, 0.0106939700000000 ] - [ -0.0003181200000000, 0.0000394900000000, 0.0001507800000000 ] - [ -0.0010323800000000, -0.0003813600000000, 0.0002598800000000 ] - [ 0.0291470600000000, -0.0374353100000000, -0.0067701600000000 ] - [ 0.0160779900000000, 0.0058024500000000, 0.0017634100000000 ] - [ 0.0014850500000000, -0.0002616600000000, 0.0006493000000000 ] - [ 0.0006013900000000, 0.0002518200000000, 0.0000170400000000 ] - [ -0.0024239400000000, 0.0018358400000000, -0.0028046700000000 ] - [ 0.0013206600000000, -0.0008638600000000, 0.0049092500000000 ] - [ -0.0041239600000000, -0.0024052600000000, -0.0011376900000000 ] - [ 0.0013068900000000, 0.0014674300000000, 0.0018333900000000 ] - [ -0.0008337100000000, -0.0012250700000000, -0.0027805000000000 ] - [ -0.0021118800000000, -0.0009000200000000, 0.0012839300000000 ] - [ -0.0015035000000000, -0.0003261300000000, -0.0003946300000000 ] - [ 0.0018487000000000, -0.0010047700000000, -0.0029910600000000 ] - [ 0.0007569400000000, -0.0088280200000000, -0.0017973400000000 ] - [ -0.0110532900000000, 0.0058188300000000, 0.0016606700000000 ] - [ -0.0003797800000000, 0.0005922100000000, -0.0005320400000000 ] - [ 0.0004617400000000, 0.0004525900000000, -0.0010178000000000 ] - [ 0.0032228500000000, 0.0001630100000000, 0.0003022500000000 ] - [ -0.0032391700000000, -0.0004553300000000, 0.0003644600000000 ] - [ -0.0009321800000000, -0.0005514000000000, 0.0000251200000000 ] - [ 0.0001475900000000, -0.0003151200000000, -0.0004437200000000 ] - [ 0.0094534500000000, -0.0036514000000000, -0.0131221200000000 ] - [ -0.0043921100000000, -0.0003358100000000, 0.0022442600000000 ] - [ -0.0023252800000000, -0.0006012000000000, 0.0014346400000000 ] - [ -0.0018831800000000, -0.0002083800000000, -0.0019425800000000 ] - [ 0.0043036800000000, -0.0002971100000000, -0.0003442800000000 ] - [ 0.0003901600000000, 0.0002997900000000, 0.0008199500000000 ] - [ 0.0016045900000000, -0.0005238100000000, 0.0004870200000000 ] - [ 0.0025230500000000, -0.0002229100000000, -0.0022864000000000 ] - [ -0.0016375100000000, 0.0006396000000000, -0.0006234100000000 ] - [ 0.0014222200000000, 0.0008540500000000, -0.0012343300000000 ] - [ 0.0004201700000000, -0.0005417400000000, -0.0006199400000000 ] - [ -0.0003109900000000, 0.0004145800000000, -0.0000425000000000 ] - [ -0.0017701900000000, 0.0000342500000000, 0.0000775900000000 ] - [ 0.0018034700000000, -0.0004985900000000, -0.0009668200000000 ] - [ 0.0001652000000000, 0.0007098200000000, -0.0001745500000000 ] - [ -0.0001021800000000, 0.0002275500000000, 0.0004367500000000 ] - [ 0.0101188100000000, -0.0042401400000000, 0.0022264800000000 ] - [ -0.0021244000000000, 0.0002080600000000, 0.0000406700000000 ] - [ -0.0006790100000000, -0.0002044800000000, 0.0010924000000000 ] - [ 0.0007096400000000, -0.0007749400000000, -0.0009518100000000 ] - [ 0.0564212400000000, -0.0480930900000000, 0.0519944500000000 ] - [ -0.0047673300000000, 0.0016974900000000, -0.0003428000000000 ] - [ 0.0001518800000000, -0.0000519500000000, 0.0005386900000000 ] - [ 0.0000731400000000, 0.0001636900000000, -0.0010702800000000 ] - [ 0.0792596400000000, 0.0808191300000000, 0.0438729600000000 ] - [ -0.0049959900000000, -0.0026507000000000, -0.0004710100000000 ] - [ -0.0000303800000000, -0.0003000700000000, 0.0004586300000000 ] - [ -0.0003794900000000, -0.0004110700000000, -0.0004147900000000 ] - [ 0.0034873200000000, 0.0019149700000000, 0.0004241700000000 ] - [ -0.0021192300000000, 0.0001245100000000, 0.0009565300000000 ] - [ -0.0000415800000000, 0.0009833400000000, 0.0013201800000000 ] - [ -0.0007526600000000, 0.0002448500000000, 0.0002300600000000 ] - [ 0.0039934300000000, -0.0019380100000000, 0.0008435400000000 ] - [ -0.0040781100000000, 0.0034358500000000, 0.0002813200000000 ] - [ 0.0001387900000000, 0.0005814100000000, 0.0005181700000000 ] - [ -0.0000645000000000, 0.0007981100000000, -0.0001047100000000 ] - [ -0.0056239400000000, 0.0094945200000000, 0.0000378200000000 ] - [ -0.0024294500000000, -0.0028166800000000, -0.0004237800000000 ] - [ -0.0005134200000000, 0.0000435300000000, -0.0007500000000000 ] - [ -0.0000725300000000, -0.0005201100000000, -0.0002749700000000 ] - [ -0.0016290500000000, -0.0008301000000000, 0.0004846200000000 ] - [ 0.0010409100000000, 0.0000816400000000, -0.0015782900000000 ] - [ 0.0011760200000000, -0.0001018200000000, -0.0009724500000000 ] - [ -0.0010222800000000, -0.0006560300000000, -0.0002929700000000 ] - [ -0.0043274800000000, -0.0061305100000000, -0.0030108000000000 ] - [ 0.0008970900000000, 0.0089640400000000, 0.0013332900000000 ] - [ -0.0000703100000000, -0.0000008200000000, -0.0005605600000000 ] - [ 0.0002440100000000, 0.0002872200000000, -0.0001585300000000 ] - [ -0.0052204500000000, -0.0002073500000000, -0.0014694700000000 ] - [ -0.0100857700000000, 0.0109371300000000, -0.0002864200000000 ] - [ -0.0002832700000000, -0.0001800400000000, -0.0004546600000000 ] - [ 0.0002614400000000, -0.0002194900000000, 0.0002113600000000 ] - [ -0.0007449000000000, -0.0004756000000000, 0.0016803800000000 ] - [ -0.0025621100000000, 0.0021074400000000, -0.0024985200000000 ] - [ 0.0008701800000000, 0.0000448300000000, -0.0000644000000000 ] - [ -0.0014296700000000, 0.0007207600000000, -0.0000323800000000 ] - [ 0.0007961300000000, 0.0005322400000000, 0.0013787100000000 ] - [ -0.0002477200000000, -0.0000832800000000, -0.0010161700000000 ] - [ 0.0014944900000000, 0.0009627700000000, 0.0012482500000000 ] - [ -0.0010054800000000, -0.0007064700000000, -0.0011602300000000 ] - [ 0.0006568100000000, -0.0017404000000000, 0.0021821400000000 ] - [ -0.0020110600000000, 0.0020979000000000, -0.0014942400000000 ] - [ 0.0013356700000000, 0.0003921900000000, 0.0013260900000000 ] - [ -0.0013249700000000, 0.0007828100000000, -0.0003472700000000 ] - [ -0.0040859900000000, 0.0032733600000000, 0.0068605400000000 ] - [ -0.0039526000000000, -0.0014851000000000, -0.0024571300000000 ] - [ -0.0002580700000000, 0.0010712500000000, -0.0019589900000000 ] - [ -0.0025718100000000, -0.0000068500000000, -0.0000209000000000 ] - [ 0.0041371300000000, -0.0019302800000000, 0.0025812500000000 ] - [ -0.0010717900000000, 0.0034804700000000, -0.0039410200000000 ] - [ 0.0022385400000000, 0.0005605500000000, 0.0002843900000000 ] - [ 0.0020765700000000, 0.0001809200000000, -0.0011127700000000 ] - [ 0.0065875700000000, 0.0062710400000000, 0.0013925500000000 ] - [ -0.0033818300000000, -0.0014591000000000, -0.0010110600000000 ] - [ 0.0010773700000000, 0.0008566800000000, -0.0001450900000000 ] - [ 0.0004707300000000, 0.0004336000000000, -0.0003138700000000 ] - [ 0.1565110500000000, -0.0187120800000000, -0.1075905900000000 ] - [ -0.0075038400000000, 0.0001330400000000, 0.0020744800000000 ] - [ 0.0000717800000000, -0.0008940000000000, 0.0008246200000000 ] - [ -0.0000637400000000, -0.0005708500000000, 0.0000872900000000 ] - [ 0.0032077900000000, -0.0016625200000000, 0.0012366000000000 ] - [ -0.0020006700000000, -0.0017306800000000, -0.0002878000000000 ] - [ 0.0011974500000000, 0.0015227500000000, 0.0027497200000000 ] - [ -0.0013125700000000, -0.0020781200000000, -0.0008787900000000 ]- atom: 25 displacement: [ -0.0099996083916704, 0.0000000000000000, 0.0000884986623371 ] forces: - [ -0.0023862000000000, -0.0003776800000000, 0.0006977100000000 ] - [ 0.0031851400000000, 0.0029414100000000, -0.0096712400000000 ] - [ 0.0006886000000000, -0.0015905000000000, -0.0021043400000000 ] - [ -0.0007642600000000, 0.0004205000000000, 0.0018353600000000 ] - [ 0.0072188600000000, -0.0103751300000000, -0.0012650900000000 ] - [ -0.0052672200000000, 0.0002394100000000, 0.0003218600000000 ] - [ 0.0001900700000000, 0.0000767200000000, 0.0001336400000000 ] - [ -0.0002763300000000, 0.0002407400000000, -0.0010394400000000 ] - [ -0.0003893100000000, 0.0000405900000000, -0.0012221500000000 ] - [ 0.0002743500000000, 0.0023247300000000, 0.0018325100000000 ] - [ -0.0002764300000000, 0.0001525600000000, -0.0004457900000000 ] - [ 0.0003835200000000, 0.0000904300000000, 0.0005269400000000 ] - [ 0.0013268800000000, -0.0028722000000000, 0.0103859500000000 ] - [ -0.0034600100000000, 0.0003378400000000, -0.0033289900000000 ] - [ 0.0020722100000000, -0.0004746900000000, 0.0039106700000000 ] - [ -0.0014141500000000, -0.0003724000000000, -0.0012527500000000 ] - [ 0.0142165700000000, -0.0024837700000000, -0.0166543300000000 ] - [ -0.0026848200000000, -0.0020711300000000, 0.0011561500000000 ] - [ -0.0026426000000000, -0.0005874200000000, 0.0017339900000000 ] - [ 0.0020463800000000, -0.0019357500000000, -0.0065020600000000 ] - [ 0.0146286200000000, -0.0049479000000000, 0.0033583800000000 ] - [ -0.0114266100000000, 0.0056469100000000, 0.0016707100000000 ] - [ -0.0016392500000000, 0.0002821400000000, 0.0015165200000000 ] - [ -0.0006668700000000, -0.0000203900000000, -0.0011337100000000 ] - [ 0.3482471500000000, 0.0020643700000000, 0.0047605400000000 ] - [ -0.0126210200000000, -0.0000124900000000, 0.0000823300000000 ] - [ 0.0009382400000000, -0.0002978600000000, 0.0010113300000000 ] - [ -0.0000969200000000, 0.0006863400000000, -0.0020320700000000 ] - [ -0.0036705700000000, 0.0008633900000000, 0.0006223000000000 ] - [ 0.0011219100000000, 0.0007901900000000, -0.0014653000000000 ] - [ 0.0012933000000000, 0.0008368600000000, -0.0006328100000000 ] - [ -0.0017619400000000, 0.0012283600000000, 0.0010930100000000 ] - [ 0.0040434400000000, -0.0009551200000000, 0.0015874800000000 ] - [ -0.0024846700000000, 0.0009922100000000, -0.0012734400000000 ] - [ 0.0040578300000000, 0.0033337300000000, 0.0046436300000000 ] - [ -0.0024899300000000, -0.0015082400000000, -0.0028307100000000 ] - [ -0.0260302000000000, -0.0175556600000000, -0.0004666500000000 ] - [ -0.0363971100000000, 0.0302001600000000, -0.0110295500000000 ] - [ -0.0008306700000000, -0.0006935100000000, -0.0001817100000000 ] - [ -0.0001214000000000, -0.0002719600000000, -0.0002889600000000 ] - [ -0.0267906900000000, 0.0374019500000000, 0.0052285900000000 ] - [ -0.0137207000000000, -0.0059036900000000, -0.0032435500000000 ] - [ 0.0008009100000000, 0.0002152800000000, -0.0021038700000000 ] - [ 0.0016795400000000, -0.0002969500000000, -0.0014701900000000 ] - [ 0.0001175600000000, -0.0018884900000000, 0.0042572100000000 ] - [ -0.0035831000000000, 0.0008208800000000, -0.0034882500000000 ] - [ 0.0018607300000000, 0.0023842200000000, 0.0026170400000000 ] - [ -0.0035934900000000, -0.0015079300000000, -0.0003595300000000 ] - [ 0.0005569300000000, 0.0021880800000000, 0.0020700200000000 ] - [ 0.0018366200000000, 0.0018630200000000, -0.0020046000000000 ] - [ 0.0012155600000000, 0.0012830600000000, -0.0003088000000000 ] - [ -0.0021519200000000, 0.0019408500000000, 0.0022602600000000 ] - [ -0.0005778800000000, 0.0100305200000000, 0.0005551600000000 ] - [ 0.0111110400000000, -0.0046598600000000, -0.0028765900000000 ] - [ 0.0004308300000000, 0.0005780100000000, -0.0007176000000000 ] - [ -0.0004102500000000, 0.0007180400000000, -0.0002339000000000 ] - [ -0.0041688600000000, -0.0011317400000000, -0.0004059000000000 ] - [ 0.0022860500000000, -0.0005257200000000, -0.0004757900000000 ] - [ -0.0000276500000000, -0.0004271300000000, -0.0001388300000000 ] - [ -0.0011098600000000, -0.0006646800000000, 0.0003286500000000 ] - [ -0.0134114700000000, 0.0027937200000000, 0.0139002000000000 ] - [ 0.0002390200000000, -0.0003262700000000, -0.0015232300000000 ] - [ -0.0018343900000000, -0.0000654300000000, -0.0007200100000000 ] - [ -0.0022788500000000, -0.0004603200000000, 0.0026491000000000 ] - [ -0.0001498700000000, -0.0003755900000000, -0.0003642200000000 ] - [ 0.0037722700000000, -0.0009716200000000, -0.0015427400000000 ] - [ 0.0025568500000000, -0.0001459600000000, -0.0012149100000000 ] - [ 0.0016320300000000, -0.0004507100000000, 0.0015578600000000 ] - [ 0.0018504200000000, -0.0010528600000000, 0.0000936600000000 ] - [ -0.0012156900000000, -0.0012486100000000, 0.0006895900000000 ] - [ -0.0002121700000000, 0.0001324100000000, 0.0000850700000000 ] - [ 0.0005212100000000, -0.0008264900000000, -0.0004931900000000 ] - [ 0.0016096500000000, 0.0002572800000000, -0.0000350200000000 ] - [ -0.0019690500000000, 0.0007736600000000, 0.0009902200000000 ] - [ -0.0003292100000000, -0.0004176200000000, 0.0002146600000000 ] - [ -0.0000608200000000, 0.0000639600000000, -0.0003990600000000 ] - [ -0.0091940900000000, 0.0032893800000000, -0.0021472200000000 ] - [ 0.0030892800000000, -0.0011839200000000, 0.0000687000000000 ] - [ 0.0016449500000000, -0.0007735100000000, -0.0009844700000000 ] - [ 0.0002398700000000, -0.0001983400000000, 0.0010619500000000 ] - [ -0.0564505200000000, 0.0497999200000000, -0.0533266000000000 ] - [ 0.0049260300000000, -0.0014042400000000, 0.0003062200000000 ] - [ 0.0000115800000000, 0.0003450100000000, -0.0005869800000000 ] - [ 0.0000877900000000, 0.0001298500000000, 0.0010240600000000 ] - [ -0.0802851200000000, -0.0842318900000000, -0.0447133900000000 ] - [ 0.0047928600000000, 0.0022515500000000, 0.0010094100000000 ] - [ -0.0001777700000000, -0.0001084600000000, 0.0000732000000000 ] - [ 0.0001691200000000, 0.0000012000000000, 0.0009467500000000 ] - [ -0.0035400900000000, -0.0007466900000000, 0.0008270100000000 ] - [ 0.0020776200000000, 0.0010489300000000, 0.0002888200000000 ] - [ -0.0000014700000000, 0.0001868500000000, -0.0000775500000000 ] - [ 0.0006916500000000, 0.0009213100000000, 0.0010193200000000 ] - [ -0.0037105400000000, 0.0028729400000000, -0.0001298400000000 ] - [ 0.0043748200000000, -0.0024906200000000, 0.0004248000000000 ] - [ 0.0001537700000000, 0.0003694800000000, 0.0001854800000000 ] - [ 0.0003546500000000, 0.0001542800000000, 0.0008088500000000 ] - [ 0.0053830100000000, -0.0105176500000000, -0.0007355500000000 ] - [ 0.0020857500000000, 0.0018486200000000, -0.0002669000000000 ] - [ 0.0002199100000000, -0.0009932400000000, 0.0000423600000000 ] - [ -0.0002196700000000, -0.0004298600000000, -0.0004341700000000 ] - [ 0.0016858500000000, -0.0003406300000000, -0.0017333400000000 ] - [ -0.0010046700000000, -0.0012588300000000, 0.0003353800000000 ] - [ -0.0011304500000000, -0.0010711900000000, -0.0002745000000000 ] - [ 0.0010752700000000, -0.0005146900000000, -0.0009571600000000 ] - [ 0.0045729200000000, 0.0065724600000000, 0.0025010300000000 ] - [ -0.0007121300000000, -0.0086125500000000, -0.0018461700000000 ] - [ 0.0002775500000000, 0.0004088500000000, 0.0000248900000000 ] - [ -0.0000348500000000, 0.0001223100000000, -0.0003778400000000 ] - [ 0.0050531200000000, -0.0001043500000000, 0.0015292900000000 ] - [ 0.0096580100000000, -0.0113304000000000, 0.0004251100000000 ] - [ 0.0001186500000000, -0.0001089700000000, 0.0004925600000000 ] - [ -0.0004233000000000, -0.0000699400000000, -0.0001761500000000 ] - [ -0.0002079500000000, 0.0014497900000000, -0.0017857800000000 ] - [ 0.0015650000000000, -0.0011239600000000, 0.0023927200000000 ] - [ -0.0018363800000000, 0.0009337300000000, -0.0000498700000000 ] - [ 0.0004723400000000, 0.0002552000000000, -0.0000826600000000 ] - [ -0.0006355600000000, -0.0008265200000000, -0.0014195900000000 ] - [ 0.0004126200000000, -0.0002094500000000, 0.0009772600000000 ] - [ -0.0013314500000000, -0.0012587600000000, -0.0012972900000000 ] - [ 0.0011647700000000, 0.0004113400000000, 0.0011167100000000 ] - [ -0.0008720700000000, 0.0021671600000000, -0.0016592700000000 ] - [ 0.0018123000000000, -0.0016908200000000, 0.0020323600000000 ] - [ -0.0015414300000000, 0.0000103600000000, -0.0007980200000000 ] - [ 0.0011137400000000, -0.0003730300000000, 0.0008809700000000 ] - [ -0.0000425800000000, -0.0026232400000000, -0.0061673200000000 ] - [ -0.0002208000000000, 0.0021625200000000, 0.0031844400000000 ] - [ -0.0039014800000000, -0.0004035000000000, 0.0026749600000000 ] - [ -0.0015863500000000, 0.0006760500000000, 0.0007370300000000 ] - [ 0.0000336000000000, 0.0025906200000000, -0.0032844600000000 ] - [ 0.0052511300000000, -0.0028406700000000, 0.0032692700000000 ] - [ 0.0019207800000000, 0.0001067900000000, -0.0010193500000000 ] - [ 0.0020848200000000, 0.0004885700000000, 0.0003804800000000 ] - [ -0.0056395000000000, -0.0053163600000000, -0.0012775200000000 ] - [ 0.0043214000000000, 0.0024280600000000, 0.0011203800000000 ] - [ -0.0001173000000000, 0.0001207900000000, 0.0002543000000000 ] - [ 0.0004912500000000, 0.0005446400000000, 0.0004226800000000 ] - [ -0.1486332400000000, 0.0160474400000000, 0.1026070700000000 ] - [ 0.0074729100000000, -0.0012921300000000, -0.0008283000000000 ] - [ -0.0001220100000000, -0.0002755700000000, 0.0004199000000000 ] - [ 0.0000128700000000, -0.0005990200000000, 0.0011580800000000 ] - [ -0.0028938100000000, 0.0007177200000000, -0.0005344600000000 ] - [ 0.0022893400000000, 0.0007798600000000, 0.0009993900000000 ] - [ -0.0009143400000000, -0.0024966700000000, -0.0020692100000000 ] - [ 0.0016021900000000, 0.0011230400000000, 0.0015803400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000497700000000, -0.0004738000000000, -0.0001994400000000 ] - [ -0.0014299400000000, 0.0048587800000000, -0.0161092900000000 ] - [ 0.0003007300000000, -0.0025057900000000, 0.0007845400000000 ] - [ -0.0000699800000000, -0.0001736400000000, 0.0010979200000000 ] - [ 0.0027558400000000, 0.0225195600000000, 0.0052820900000000 ] - [ 0.0010078300000000, 0.0006781800000000, -0.0003196800000000 ] - [ 0.0003679000000000, 0.0002490600000000, -0.0003457800000000 ] - [ -0.0004278400000000, 0.0004902200000000, -0.0004572400000000 ] - [ 0.0008319700000000, 0.0027705500000000, 0.0004541900000000 ] - [ -0.0006917700000000, 0.0055733400000000, 0.0005270400000000 ] - [ 0.0000195500000000, 0.0005668600000000, 0.0000933900000000 ] - [ 0.0000920500000000, 0.0003604900000000, 0.0001986500000000 ] - [ 0.0028456100000000, -0.0038497400000000, 0.0022583700000000 ] - [ -0.0024565700000000, -0.0016634300000000, 0.0010001300000000 ] - [ 0.0003042500000000, -0.0021406300000000, -0.0003176000000000 ] - [ -0.0000528500000000, -0.0013120000000000, -0.0006787100000000 ] - [ 0.0052404600000000, -0.0044321300000000, -0.0236449000000000 ] - [ 0.0010519700000000, -0.0014981700000000, -0.0014534100000000 ] - [ 0.0003622800000000, -0.0012186300000000, -0.0005368300000000 ] - [ 0.0003322700000000, -0.0036920200000000, 0.0028459500000000 ] - [ -0.0019473000000000, 0.0194228700000000, 0.0055621500000000 ] - [ -0.0030374100000000, 0.0044440500000000, 0.0015702900000000 ] - [ -0.0011030400000000, 0.0004251600000000, -0.0001139100000000 ] - [ -0.0012411500000000, 0.0002975900000000, -0.0004303600000000 ] - [ 0.0049094200000000, -0.3673100900000000, 0.0104747800000000 ] - [ 0.0009283400000000, -0.0040624500000000, -0.0003148000000000 ] - [ 0.0011977500000000, -0.0004015900000000, -0.0001235300000000 ] - [ 0.0002116500000000, -0.0004337300000000, -0.0007248000000000 ] - [ -0.0000400400000000, 0.0025006000000000, -0.0005444700000000 ] - [ -0.0001282200000000, 0.0056858200000000, 0.0001959500000000 ] - [ -0.0000414900000000, 0.0045706300000000, 0.0025008000000000 ] - [ 0.0003292400000000, 0.0024988600000000, 0.0011773700000000 ] - [ 0.0041980000000000, 0.0024114400000000, -0.0017095700000000 ] - [ -0.0005969200000000, 0.0024678400000000, -0.0000884000000000 ] - [ -0.0000201200000000, 0.0024135900000000, 0.0028596900000000 ] - [ 0.0019257900000000, 0.0024732500000000, 0.0030111700000000 ] - [ 0.0166795900000000, -0.0079072800000000, -0.0079451300000000 ] - [ -0.0308117900000000, 0.0050054600000000, 0.0090058000000000 ] - [ -0.0002127000000000, -0.0011059700000000, -0.0001788400000000 ] - [ -0.0006378700000000, -0.0007326400000000, -0.0004707100000000 ] - [ -0.0181466700000000, -0.0004065400000000, 0.0059561100000000 ] - [ 0.0238613900000000, 0.0023036600000000, 0.0017530000000000 ] - [ 0.0014148100000000, -0.0000229700000000, -0.0034119300000000 ] - [ 0.0010230100000000, 0.0000868200000000, -0.0010996100000000 ] - [ 0.0028812800000000, 0.0025817600000000, -0.0033101200000000 ] - [ -0.0029147100000000, 0.0015681300000000, -0.0021011300000000 ] - [ -0.0011318200000000, 0.0005249700000000, 0.0032007900000000 ] - [ -0.0014421100000000, 0.0000712400000000, 0.0014797200000000 ] - [ 0.0033302300000000, 0.0066150000000000, 0.0016702600000000 ] - [ 0.0004116700000000, 0.0017494600000000, -0.0008922200000000 ] - [ 0.0002639300000000, 0.0015616600000000, -0.0000018700000000 ] - [ 0.0003127100000000, 0.0053516800000000, 0.0018537900000000 ] - [ -0.0095312700000000, 0.0012197400000000, 0.0016383200000000 ] - [ 0.0061124900000000, -0.0012205400000000, -0.0049671300000000 ] - [ -0.0000127100000000, 0.0008282100000000, -0.0004636700000000 ] - [ 0.0001250100000000, 0.0007959000000000, -0.0003223200000000 ] - [ -0.0022100200000000, -0.0040418300000000, -0.0012251100000000 ] - [ -0.0003496000000000, -0.0020581200000000, -0.0004888000000000 ] - [ -0.0008472300000000, -0.0008312100000000, 0.0001244600000000 ] - [ -0.0007631500000000, -0.0007332800000000, 0.0001350400000000 ] - [ -0.0061636900000000, 0.0103516900000000, 0.0143292800000000 ] - [ -0.0031556500000000, 0.0007830100000000, 0.0018157400000000 ] - [ -0.0023744600000000, -0.0000035100000000, 0.0007157300000000 ] - [ -0.0020568100000000, 0.0002730500000000, 0.0005063000000000 ] - [ 0.0018456000000000, -0.0028507600000000, -0.0038720000000000 ] - [ 0.0021852700000000, -0.0013899100000000, -0.0019169300000000 ] - [ 0.0015862900000000, -0.0006564700000000, 0.0007977300000000 ] - [ 0.0015701900000000, -0.0008994800000000, 0.0009824400000000 ] - [ 0.0009234800000000, -0.0014118800000000, 0.0003192700000000 ] - [ 0.0010575800000000, -0.0047386400000000, 0.0018716900000000 ] - [ 0.0001734100000000, -0.0009802900000000, -0.0005070500000000 ] - [ 0.0002820700000000, -0.0009358500000000, -0.0003498100000000 ] - [ -0.0009959100000000, -0.0009417700000000, -0.0007270700000000 ] - [ -0.0011344000000000, -0.0035820100000000, -0.0032317300000000 ] - [ -0.0003779100000000, -0.0012945200000000, -0.0008191800000000 ] - [ -0.0009657400000000, -0.0006203400000000, -0.0004200700000000 ] - [ -0.0028223500000000, 0.0041423300000000, -0.0009322300000000 ] - [ 0.0001204400000000, 0.0002275100000000, -0.0001181600000000 ] - [ 0.0003274500000000, 0.0000582600000000, -0.0000367500000000 ] - [ 0.0005356600000000, 0.0003141600000000, -0.0000171500000000 ] - [ -0.0491695700000000, 0.1112724100000000, -0.0942973400000000 ] - [ -0.0014196800000000, 0.0016923700000000, -0.0005140300000000 ] - [ -0.0001531600000000, 0.0004594000000000, -0.0002083000000000 ] - [ -0.0000283000000000, 0.0005473400000000, 0.0004528500000000 ] - [ 0.0742727600000000, 0.1736547200000000, 0.0711360900000000 ] - [ 0.0010243300000000, 0.0018973000000000, 0.0009038700000000 ] - [ -0.0001777000000000, 0.0000351000000000, 0.0003513900000000 ] - [ 0.0002524600000000, 0.0001858500000000, 0.0008316500000000 ] - [ -0.0023419100000000, -0.0025737900000000, 0.0034267200000000 ] - [ 0.0007878300000000, 0.0002739100000000, 0.0004344100000000 ] - [ 0.0005873000000000, 0.0003326900000000, 0.0002046700000000 ] - [ 0.0003266100000000, 0.0001220400000000, 0.0002688200000000 ] - [ 0.0022362200000000, -0.0067208300000000, 0.0005485300000000 ] - [ 0.0006187500000000, -0.0018814900000000, 0.0005507500000000 ] - [ 0.0002896700000000, -0.0000179000000000, 0.0005332600000000 ] - [ 0.0005051700000000, -0.0001168200000000, 0.0005892500000000 ] - [ 0.0019458700000000, -0.0014526100000000, 0.0002649000000000 ] - [ -0.0035346100000000, -0.0046734100000000, -0.0006645300000000 ] - [ 0.0003342400000000, -0.0011899800000000, -0.0000122000000000 ] - [ -0.0000724800000000, -0.0007040100000000, -0.0002892000000000 ] - [ -0.0007335500000000, -0.0020716400000000, -0.0001702900000000 ] - [ -0.0003692500000000, -0.0024032200000000, -0.0002608400000000 ] - [ 0.0002151400000000, -0.0016731600000000, -0.0008693700000000 ] - [ 0.0000998200000000, -0.0010609100000000, -0.0007321100000000 ] - [ -0.0025759400000000, -0.0004341300000000, 0.0007126700000000 ] - [ 0.0034900700000000, -0.0031464800000000, -0.0020660000000000 ] - [ 0.0001493700000000, 0.0003653400000000, -0.0000464600000000 ] - [ 0.0001501600000000, 0.0002786100000000, 0.0000072500000000 ] - [ -0.0019989900000000, 0.0037506400000000, -0.0019386600000000 ] - [ 0.0044764500000000, 0.0075456800000000, -0.0052204800000000 ] - [ -0.0002515700000000, 0.0002165300000000, 0.0002030000000000 ] - [ -0.0002339900000000, 0.0001304600000000, 0.0003846900000000 ] - [ -0.0021118700000000, 0.0010376100000000, 0.0004578800000000 ] - [ 0.0032189400000000, -0.0015419100000000, 0.0022225500000000 ] - [ -0.0008829200000000, 0.0011080500000000, -0.0005298200000000 ] - [ -0.0002678400000000, 0.0004865400000000, -0.0002184600000000 ] - [ -0.0011302300000000, -0.0022261500000000, -0.0010010700000000 ] - [ -0.0003592300000000, -0.0014276500000000, -0.0009839200000000 ] - [ -0.0003872800000000, -0.0012707100000000, -0.0008496900000000 ] - [ -0.0004473700000000, -0.0012503500000000, -0.0008597600000000 ] - [ -0.0013671200000000, 0.0002955000000000, 0.0009892300000000 ] - [ 0.0024882500000000, -0.0019779400000000, 0.0016249500000000 ] - [ 0.0001692800000000, -0.0001048200000000, -0.0003782700000000 ] - [ -0.0003318500000000, 0.0001418400000000, 0.0000556700000000 ] - [ -0.0016832100000000, 0.0010415000000000, -0.0029187300000000 ] - [ -0.0053722300000000, -0.0011099100000000, -0.0039095300000000 ] - [ -0.0037849500000000, -0.0002493200000000, 0.0041384400000000 ] - [ -0.0020022800000000, 0.0003421400000000, 0.0007156500000000 ] - [ -0.0008475600000000, -0.0011896900000000, 0.0027820700000000 ] - [ 0.0037833100000000, -0.0018079100000000, 0.0020355800000000 ] - [ 0.0019113300000000, 0.0004443900000000, -0.0009320200000000 ] - [ 0.0020375000000000, 0.0003703000000000, -0.0003324500000000 ] - [ 0.0104167600000000, -0.0016889300000000, -0.0018077000000000 ] - [ -0.0038266200000000, -0.0022030900000000, -0.0015415500000000 ] - [ -0.0004446600000000, 0.0000598200000000, 0.0006966700000000 ] - [ 0.0005087100000000, 0.0004084700000000, 0.0001879100000000 ] - [ -0.0207015500000000, 0.0366377800000000, 0.0175942300000000 ] - [ -0.0008484700000000, 0.0037851200000000, 0.0010039500000000 ] - [ -0.0004585300000000, -0.0000438400000000, 0.0008963800000000 ] - [ 0.0002929800000000, -0.0003712700000000, 0.0007772900000000 ] - [ -0.0024443200000000, -0.0006243100000000, 0.0030069000000000 ] - [ 0.0017327300000000, 0.0007219500000000, 0.0009844000000000 ] - [ -0.0002135500000000, -0.0004129100000000, -0.0004759500000000 ] - [ 0.0007093800000000, 0.0004209500000000, -0.0000562600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000538600000000, 0.0005037900000000, 0.0006450500000000 ] - [ 0.0014712300000000, -0.0048425700000000, 0.0165623900000000 ] - [ -0.0002088400000000, 0.0025417600000000, -0.0003221500000000 ] - [ 0.0001624400000000, 0.0002015200000000, -0.0006579600000000 ] - [ -0.0029513300000000, -0.0227281100000000, -0.0058165500000000 ] - [ -0.0010864400000000, -0.0006490300000000, -0.0001279400000000 ] - [ -0.0004633600000000, -0.0002190400000000, -0.0000976400000000 ] - [ 0.0003373500000000, -0.0004606100000000, 0.0000201500000000 ] - [ -0.0007148800000000, -0.0027952100000000, -0.0000116900000000 ] - [ 0.0007639300000000, -0.0056086300000000, -0.0000891800000000 ] - [ 0.0000749000000000, -0.0005969600000000, 0.0003594300000000 ] - [ -0.0000005000000000, -0.0003904700000000, 0.0002464800000000 ] - [ -0.0029376100000000, 0.0038330000000000, -0.0027316300000000 ] - [ 0.0023831900000000, 0.0016312400000000, -0.0014417900000000 ] - [ -0.0004027000000000, 0.0021084000000000, -0.0001067400000000 ] - [ -0.0000341200000000, 0.0012840600000000, 0.0002410600000000 ] - [ -0.0030099500000000, 0.0044691200000000, 0.0223459800000000 ] - [ 0.0012338100000000, 0.0015378300000000, -0.0000278400000000 ] - [ 0.0019262000000000, 0.0012567100000000, -0.0009296900000000 ] - [ 0.0019480300000000, 0.0037441900000000, -0.0042868000000000 ] - [ -0.0003831900000000, -0.0192964500000000, -0.0040779800000000 ] - [ 0.0007849700000000, -0.0044390800000000, -0.0001103100000000 ] - [ -0.0011786400000000, -0.0003936500000000, 0.0015857000000000 ] - [ -0.0010408200000000, -0.0002660200000000, 0.0019107800000000 ] - [ 0.0052691600000000, 0.3720208600000000, -0.0023577100000000 ] - [ 0.0002672800000000, 0.0047157100000000, 0.0003565200000000 ] - [ -0.0000415200000000, 0.0010541300000000, 0.0001704000000000 ] - [ 0.0009525500000000, 0.0010820500000000, 0.0007830200000000 ] - [ -0.0011001000000000, -0.0018472000000000, 0.0005041300000000 ] - [ -0.0010550200000000, -0.0050454600000000, -0.0002483600000000 ] - [ -0.0011060700000000, -0.0039114500000000, -0.0025245500000000 ] - [ -0.0014940400000000, -0.0018550000000000, -0.0012302100000000 ] - [ -0.0030753700000000, -0.0030646800000000, 0.0017680700000000 ] - [ 0.0017724400000000, -0.0031182400000000, 0.0001364600000000 ] - [ 0.0011830600000000, -0.0030625300000000, -0.0028376500000000 ] - [ -0.0007572800000000, -0.0031136800000000, -0.0029438600000000 ] - [ -0.0177249300000000, 0.0071376200000000, 0.0077740200000000 ] - [ 0.0297043400000000, -0.0057836100000000, -0.0091761700000000 ] - [ -0.0009428900000000, 0.0004516900000000, 0.0001435500000000 ] - [ -0.0005212300000000, 0.0000777500000000, 0.0004315100000000 ] - [ 0.0205759100000000, 0.0005702900000000, -0.0074534700000000 ] - [ -0.0214920400000000, -0.0022223900000000, -0.0031990000000000 ] - [ 0.0008660000000000, -0.0000086000000000, 0.0019629400000000 ] - [ 0.0012558300000000, -0.0001172500000000, -0.0003639000000000 ] - [ -0.0051561000000000, -0.0026272000000000, 0.0047397400000000 ] - [ 0.0006336600000000, -0.0016013200000000, 0.0035710000000000 ] - [ -0.0011715100000000, -0.0005719800000000, -0.0017236500000000 ] - [ -0.0008229300000000, -0.0000966700000000, -0.0000069200000000 ] - [ -0.0036251600000000, -0.0056864000000000, -0.0024035400000000 ] - [ -0.0007016900000000, -0.0008026400000000, 0.0001892700000000 ] - [ -0.0005574500000000, -0.0006152300000000, -0.0007083400000000 ] - [ -0.0006006100000000, -0.0044120600000000, -0.0025829600000000 ] - [ 0.0095874500000000, 0.0000670800000000, -0.0028260500000000 ] - [ -0.0061480500000000, 0.0024305200000000, 0.0037740400000000 ] - [ 0.0000516300000000, 0.0003485600000000, -0.0007905000000000 ] - [ -0.0000840400000000, 0.0003805100000000, -0.0009327500000000 ] - [ 0.0012557100000000, 0.0030548100000000, 0.0011133900000000 ] - [ -0.0006065900000000, 0.0010737800000000, 0.0003835900000000 ] - [ -0.0001112400000000, -0.0001560500000000, -0.0002358500000000 ] - [ -0.0001909800000000, -0.0002520400000000, -0.0002464300000000 ] - [ 0.0022769600000000, -0.0113404400000000, -0.0135300900000000 ] - [ -0.0010112600000000, -0.0014562400000000, -0.0010700400000000 ] - [ -0.0017854200000000, -0.0006704100000000, 0.0000067700000000 ] - [ -0.0021025900000000, -0.0009459500000000, 0.0002027600000000 ] - [ 0.0023204300000000, 0.0021680800000000, 0.0031250800000000 ] - [ 0.0019702600000000, 0.0007228000000000, 0.0012030000000000 ] - [ 0.0025698100000000, -0.0000183300000000, -0.0015241700000000 ] - [ 0.0025952100000000, 0.0002305400000000, -0.0017203700000000 ] - [ -0.0007227200000000, 0.0010035000000000, -0.0008534700000000 ] - [ -0.0008385100000000, 0.0043303500000000, -0.0023993400000000 ] - [ 0.0000349200000000, 0.0005677700000000, -0.0000300200000000 ] - [ -0.0000693400000000, 0.0005251900000000, -0.0001810300000000 ] - [ 0.0008244000000000, 0.0012392600000000, 0.0007654000000000 ] - [ 0.0009826700000000, 0.0039024900000000, 0.0033002900000000 ] - [ 0.0002091000000000, 0.0015931400000000, 0.0008551100000000 ] - [ 0.0008072900000000, 0.0009235700000000, 0.0004650700000000 ] - [ 0.0038090900000000, -0.0051073500000000, 0.0010456700000000 ] - [ 0.0008268700000000, -0.0012118100000000, 0.0002308600000000 ] - [ 0.0006311300000000, -0.0010463600000000, 0.0001441000000000 ] - [ 0.0004200900000000, -0.0013031400000000, 0.0001211100000000 ] - [ 0.0462733700000000, -0.1073705800000000, 0.0898601200000000 ] - [ 0.0015674900000000, -0.0013870400000000, 0.0004702500000000 ] - [ 0.0003178800000000, -0.0001594700000000, 0.0001647200000000 ] - [ 0.0001913800000000, -0.0002461800000000, -0.0005047900000000 ] - [ -0.0801766200000000, -0.1816352800000000, -0.0746304500000000 ] - [ -0.0012481200000000, -0.0023158300000000, -0.0003730200000000 ] - [ -0.0000334500000000, -0.0004501700000000, 0.0001802900000000 ] - [ -0.0004664400000000, -0.0006019800000000, -0.0003038700000000 ] - [ 0.0023242500000000, 0.0037631600000000, -0.0022061600000000 ] - [ -0.0008350700000000, 0.0008988000000000, 0.0008211100000000 ] - [ -0.0006309700000000, 0.0008414600000000, 0.0010495900000000 ] - [ -0.0003647200000000, 0.0010504000000000, 0.0009787600000000 ] - [ -0.0019285000000000, 0.0076647900000000, 0.0001561000000000 ] - [ -0.0003392900000000, 0.0028375400000000, 0.0001598800000000 ] - [ -0.0000012500000000, 0.0009688000000000, 0.0001742500000000 ] - [ -0.0002183500000000, 0.0010698900000000, 0.0001146500000000 ] - [ -0.0022373000000000, 0.0004597500000000, -0.0009800200000000 ] - [ 0.0032796900000000, 0.0036615100000000, -0.0000231000000000 ] - [ -0.0006250100000000, 0.0002424400000000, -0.0006997300000000 ] - [ -0.0002159300000000, -0.0002464500000000, -0.0004195200000000 ] - [ 0.0007611800000000, 0.0008927400000000, -0.0010764800000000 ] - [ 0.0004226500000000, 0.0012340200000000, -0.0009942900000000 ] - [ -0.0001727700000000, 0.0005003000000000, -0.0003879600000000 ] - [ -0.0000618300000000, -0.0001152100000000, -0.0005190800000000 ] - [ 0.0027865900000000, 0.0008718600000000, -0.0012209200000000 ] - [ -0.0032299900000000, 0.0036093200000000, 0.0015609000000000 ] - [ 0.0000615500000000, 0.0000483700000000, -0.0004886800000000 ] - [ 0.0000619700000000, 0.0001369000000000, -0.0005397900000000 ] - [ 0.0018165700000000, -0.0040366800000000, 0.0019880400000000 ] - [ -0.0046539900000000, -0.0078285700000000, 0.0052641800000000 ] - [ 0.0000860700000000, -0.0005149700000000, -0.0001658300000000 ] - [ 0.0000709600000000, -0.0004289400000000, -0.0003444200000000 ] - [ 0.0011473600000000, -0.0000450400000000, -0.0005635300000000 ] - [ -0.0041886200000000, 0.0025376100000000, -0.0023401100000000 ] - [ -0.0000665100000000, -0.0001216400000000, 0.0004159600000000 ] - [ -0.0006941500000000, 0.0005020300000000, 0.0001089300000000 ] - [ 0.0013043300000000, 0.0019304700000000, 0.0009613800000000 ] - [ 0.0005147300000000, 0.0011226700000000, 0.0009364900000000 ] - [ 0.0005535900000000, 0.0009711200000000, 0.0008104100000000 ] - [ 0.0006057800000000, 0.0009458700000000, 0.0008056200000000 ] - [ 0.0011657800000000, 0.0001065300000000, -0.0004559000000000 ] - [ -0.0027052200000000, 0.0023987800000000, -0.0010962500000000 ] - [ -0.0003779600000000, 0.0005087900000000, 0.0009123900000000 ] - [ 0.0001146800000000, 0.0002731100000000, 0.0004715800000000 ] - [ -0.0024780500000000, -0.0003910200000000, 0.0036571800000000 ] - [ 0.0011984800000000, 0.0017650300000000, 0.0045963300000000 ] - [ -0.0003663600000000, 0.0009224200000000, -0.0034340500000000 ] - [ -0.0021600200000000, 0.0003283700000000, 0.0000096800000000 ] - [ 0.0049800500000000, 0.0018563200000000, -0.0034652700000000 ] - [ 0.0003714300000000, 0.0024907900000000, -0.0027679300000000 ] - [ 0.0022505100000000, 0.0002311400000000, 0.0001978200000000 ] - [ 0.0021220600000000, 0.0003027000000000, -0.0004003200000000 ] - [ -0.0096137200000000, 0.0026829000000000, 0.0019445200000000 ] - [ 0.0047407800000000, 0.0031416100000000, 0.0016273500000000 ] - [ 0.0014046700000000, 0.0009272600000000, -0.0005914300000000 ] - [ 0.0004468300000000, 0.0005771100000000, -0.0000811100000000 ] - [ 0.0201432100000000, -0.0376182600000000, -0.0160241800000000 ] - [ 0.0007933500000000, -0.0049579500000000, 0.0002494500000000 ] - [ 0.0004210800000000, -0.0011343800000000, 0.0003540000000000 ] - [ -0.0003341000000000, -0.0008045700000000, 0.0004714100000000 ] - [ 0.0027414700000000, -0.0003055700000000, -0.0022941300000000 ] - [ -0.0014585000000000, -0.0016790200000000, -0.0002788900000000 ] - [ 0.0005087000000000, -0.0005274600000000, 0.0011907500000000 ] - [ -0.0004317900000000, -0.0013785300000000, 0.0007595600000000 ]- atom: 25 displacement: [ -0.0045611250918810, 0.0000000000000000, 0.0088992211960493 ] forces: - [ -0.0014106800000000, 0.0000208500000000, 0.0005243200000000 ] - [ 0.0053235600000000, -0.0059161300000000, 0.0061913500000000 ] - [ 0.0012704700000000, 0.0023499100000000, 0.0017385400000000 ] - [ -0.0009930400000000, 0.0001934700000000, 0.0012252100000000 ] - [ 0.0040433100000000, -0.0017114200000000, -0.0019978000000000 ] - [ -0.0033124000000000, 0.0002083800000000, -0.0005346000000000 ] - [ -0.0005892000000000, -0.0000682400000000, 0.0008718400000000 ] - [ 0.0005487200000000, -0.0001272400000000, 0.0008680700000000 ] - [ 0.0000335300000000, 0.0009014000000000, -0.0026532900000000 ] - [ -0.0000262600000000, 0.0009668000000000, -0.0010324900000000 ] - [ 0.0000032800000000, -0.0002121700000000, 0.0012146600000000 ] - [ 0.0001106100000000, 0.0000405300000000, 0.0015087800000000 ] - [ -0.0067431600000000, -0.0007252600000000, 0.0074621500000000 ] - [ 0.0026544800000000, 0.0009834000000000, -0.0025594300000000 ] - [ -0.0011054900000000, 0.0000182400000000, 0.0054344700000000 ] - [ 0.0000321600000000, -0.0002845800000000, 0.0002174100000000 ] - [ 0.0127083300000000, -0.0106850300000000, 0.0209905400000000 ] - [ -0.0016379600000000, -0.0010161900000000, -0.0012229000000000 ] - [ -0.0016065600000000, -0.0004249900000000, 0.0024201800000000 ] - [ 0.0063818700000000, 0.0048343700000000, 0.0018899800000000 ] - [ 0.0041410700000000, -0.0013453600000000, -0.0056075200000000 ] - [ -0.0058152300000000, 0.0033734600000000, -0.0003869700000000 ] - [ -0.0021404200000000, 0.0002244200000000, 0.0032323600000000 ] - [ -0.0005577100000000, -0.0002011500000000, 0.0020854800000000 ] - [ 0.1535704200000000, 0.0062015400000000, -0.2597325100000000 ] - [ -0.0055228500000000, -0.0001210300000000, -0.0024199100000000 ] - [ -0.0001145900000000, -0.0000885800000000, 0.0022591900000000 ] - [ 0.0021250200000000, -0.0001758300000000, 0.0025150600000000 ] - [ -0.0025408200000000, 0.0010380000000000, 0.0016400600000000 ] - [ 0.0014879900000000, 0.0003433000000000, 0.0006008800000000 ] - [ 0.0008122600000000, -0.0016731500000000, -0.0009910500000000 ] - [ -0.0021161300000000, -0.0003302900000000, -0.0003609400000000 ] - [ -0.0019244600000000, -0.0031520300000000, 0.0020632900000000 ] - [ 0.0017138800000000, -0.0023712300000000, -0.0000339000000000 ] - [ 0.0007991200000000, 0.0028720800000000, 0.0034603200000000 ] - [ 0.0003344300000000, -0.0007607500000000, -0.0007270400000000 ] - [ -0.0120214900000000, -0.0151971100000000, -0.0134320200000000 ] - [ -0.0074235300000000, 0.0216756000000000, -0.0266354200000000 ] - [ -0.0005289500000000, -0.0006366000000000, 0.0020152800000000 ] - [ -0.0001135300000000, -0.0006989900000000, 0.0017312100000000 ] - [ -0.0202995400000000, 0.0319357100000000, -0.0061771100000000 ] - [ -0.0001251700000000, -0.0013816700000000, -0.0033718300000000 ] - [ 0.0002045200000000, 0.0001502000000000, 0.0036286200000000 ] - [ 0.0011130300000000, -0.0001108200000000, 0.0012677600000000 ] - [ -0.0043921500000000, -0.0045937300000000, 0.0034939200000000 ] - [ -0.0005563700000000, -0.0000789200000000, -0.0009838900000000 ] - [ -0.0008891700000000, 0.0034408800000000, 0.0028610200000000 ] - [ -0.0009446800000000, -0.0000193200000000, 0.0009728100000000 ] - [ -0.0052997900000000, -0.0025249000000000, -0.0023164000000000 ] - [ 0.0019422200000000, 0.0014230100000000, -0.0012066300000000 ] - [ 0.0004402600000000, 0.0007166100000000, -0.0006608000000000 ] - [ -0.0034499500000000, -0.0021704100000000, -0.0043076400000000 ] - [ -0.0061535700000000, 0.0030457100000000, 0.0076585700000000 ] - [ 0.0057109900000000, -0.0031635000000000, 0.0019689700000000 ] - [ 0.0004193900000000, 0.0003945300000000, -0.0012545600000000 ] - [ -0.0002832000000000, 0.0006642700000000, -0.0012022400000000 ] - [ -0.0018931800000000, -0.0007248000000000, 0.0013834700000000 ] - [ 0.0007127900000000, -0.0005334200000000, 0.0003868500000000 ] - [ 0.0000697300000000, -0.0003491900000000, -0.0007631700000000 ] - [ -0.0008282400000000, -0.0006592200000000, -0.0005488200000000 ] - [ -0.0125917300000000, 0.0073288200000000, -0.0020987200000000 ] - [ -0.0009687800000000, -0.0004169500000000, 0.0018221500000000 ] - [ -0.0014942600000000, -0.0001234800000000, -0.0023540400000000 ] - [ -0.0024418100000000, -0.0004575600000000, -0.0021132700000000 ] - [ 0.0008286900000000, -0.0008379500000000, 0.0024326600000000 ] - [ 0.0028831700000000, -0.0002987500000000, 0.0005493300000000 ] - [ 0.0025419900000000, -0.0004303400000000, -0.0025178700000000 ] - [ 0.0017280300000000, -0.0005952300000000, -0.0011984500000000 ] - [ 0.0009494300000000, -0.0006666500000000, -0.0001461100000000 ] - [ -0.0009478600000000, 0.0010057000000000, -0.0007800700000000 ] - [ -0.0004580500000000, 0.0002880600000000, -0.0003994700000000 ] - [ 0.0005637600000000, -0.0003971200000000, -0.0004195100000000 ] - [ 0.0008500800000000, 0.0001122600000000, -0.0003330800000000 ] - [ -0.0011288900000000, 0.0001112600000000, 0.0001118800000000 ] - [ -0.0005128000000000, 0.0008371100000000, -0.0001896100000000 ] - [ 0.0007247500000000, 0.0005142700000000, -0.0002163800000000 ] - [ -0.0049739200000000, 0.0034401400000000, -0.0058465200000000 ] - [ 0.0013265200000000, -0.0009562600000000, 0.0006495600000000 ] - [ 0.0019653300000000, -0.0009142200000000, -0.0011756800000000 ] - [ -0.0009415200000000, -0.0003168000000000, -0.0004562300000000 ] - [ 0.0124764400000000, -0.0469144600000000, 0.0840104600000000 ] - [ 0.0023345400000000, -0.0006412900000000, 0.0008816200000000 ] - [ 0.0003802000000000, 0.0002717600000000, -0.0009600500000000 ] - [ -0.0003098000000000, 0.0003534600000000, -0.0015381800000000 ] - [ -0.0033232200000000, 0.0199376500000000, 0.0367265500000000 ] - [ 0.0028232900000000, 0.0016978100000000, 0.0011331900000000 ] - [ 0.0000983500000000, -0.0002344200000000, -0.0001898500000000 ] - [ -0.0006476600000000, -0.0005693500000000, -0.0006256000000000 ] - [ 0.0019026500000000, 0.0038863600000000, -0.0007965600000000 ] - [ -0.0002439400000000, 0.0009420700000000, 0.0010417500000000 ] - [ 0.0007595800000000, 0.0006087000000000, -0.0001978700000000 ] - [ -0.0008408000000000, 0.0001442200000000, 0.0006686700000000 ] - [ -0.0013182000000000, 0.0006978500000000, 0.0014119500000000 ] - [ 0.0030615600000000, -0.0023359800000000, 0.0010512200000000 ] - [ 0.0001525900000000, 0.0007525700000000, -0.0002801400000000 ] - [ -0.0003183200000000, 0.0009711000000000, -0.0001364300000000 ] - [ 0.0061100400000000, -0.0114026900000000, -0.0003342200000000 ] - [ -0.0004557700000000, -0.0016627300000000, 0.0002955300000000 ] - [ -0.0007457900000000, 0.0003571400000000, -0.0012438100000000 ] - [ -0.0003225700000000, -0.0001123300000000, -0.0009581700000000 ] - [ 0.0017684300000000, -0.0000510300000000, -0.0016449100000000 ] - [ -0.0010010700000000, -0.0008585900000000, -0.0002287400000000 ] - [ -0.0008669000000000, -0.0003876000000000, -0.0005660300000000 ] - [ 0.0004166700000000, -0.0003432600000000, -0.0008798300000000 ] - [ 0.0010445400000000, 0.0041061400000000, 0.0035032000000000 ] - [ -0.0022490600000000, -0.0042349800000000, 0.0016720500000000 ] - [ -0.0000077300000000, 0.0000370200000000, -0.0006709300000000 ] - [ 0.0000600000000000, 0.0001259900000000, -0.0008399400000000 ] - [ 0.0014262300000000, -0.0003364100000000, 0.0036466500000000 ] - [ 0.0131265000000000, -0.0140114000000000, 0.0133557600000000 ] - [ -0.0002031500000000, 0.0001059200000000, -0.0008778900000000 ] - [ 0.0000041500000000, 0.0001622600000000, -0.0014478100000000 ] - [ 0.0008457600000000, 0.0008178900000000, -0.0008957300000000 ] - [ -0.0015910600000000, 0.0007116500000000, 0.0008064300000000 ] - [ -0.0000257100000000, -0.0008768100000000, -0.0009848500000000 ] - [ -0.0004006600000000, 0.0004875700000000, -0.0003274500000000 ] - [ 0.0012506100000000, 0.0009810700000000, 0.0007545100000000 ] - [ 0.0000656100000000, 0.0005907700000000, 0.0016076600000000 ] - [ -0.0005512200000000, -0.0009982300000000, -0.0014992200000000 ] - [ 0.0002962800000000, -0.0001670700000000, -0.0003461300000000 ] - [ 0.0013949800000000, 0.0020647500000000, -0.0006926400000000 ] - [ -0.0031907300000000, 0.0022368000000000, -0.0002091400000000 ] - [ -0.0000753200000000, -0.0011341300000000, -0.0009740600000000 ] - [ 0.0001055200000000, 0.0001730800000000, 0.0001630500000000 ] - [ -0.0002495800000000, -0.0005105500000000, -0.0029194200000000 ] - [ -0.0013006800000000, 0.0005800300000000, 0.0020459700000000 ] - [ -0.0010572500000000, 0.0010020700000000, -0.0041677400000000 ] - [ -0.0021221000000000, 0.0002050000000000, -0.0008083600000000 ] - [ 0.0020544400000000, 0.0025481100000000, -0.0000756000000000 ] - [ 0.0032437300000000, -0.0009705900000000, 0.0023212500000000 ] - [ 0.0024366000000000, 0.0001583500000000, -0.0025208100000000 ] - [ 0.0020368100000000, 0.0005110200000000, -0.0014290600000000 ] - [ -0.0016524900000000, -0.0047750400000000, 0.0015894700000000 ] - [ 0.0010736400000000, 0.0006087800000000, 0.0004930600000000 ] - [ 0.0015123000000000, 0.0008020900000000, -0.0009747500000000 ] - [ 0.0003380300000000, 0.0004183200000000, -0.0004993500000000 ] - [ -0.1375436500000000, 0.0161323700000000, 0.1372267500000000 ] - [ 0.0028087800000000, -0.0005696800000000, 0.0007156500000000 ] - [ 0.0007861200000000, -0.0009278900000000, -0.0004111300000000 ] - [ -0.0005318400000000, -0.0005839300000000, 0.0001035500000000 ] - [ 0.0016134500000000, 0.0028260100000000, -0.0024441200000000 ] - [ 0.0004983300000000, -0.0001941400000000, 0.0004486800000000 ] - [ 0.0005001600000000, -0.0028501800000000, -0.0015983200000000 ] - [ -0.0009107200000000, -0.0013687100000000, 0.0005378400000000 ]- atom: 25 displacement: [ 0.0045611250918810, 0.0000000000000000, -0.0088992211960493 ] forces: - [ 0.0015073000000000, 0.0000073300000000, -0.0000729400000000 ] - [ -0.0052994400000000, 0.0060210200000000, -0.0057323300000000 ] - [ -0.0011650000000000, -0.0023072600000000, -0.0012928700000000 ] - [ 0.0010748600000000, -0.0001604000000000, -0.0007754400000000 ] - [ -0.0041535700000000, 0.0018244800000000, 0.0015707900000000 ] - [ 0.0032190400000000, -0.0001756500000000, 0.0000892700000000 ] - [ 0.0004945400000000, 0.0000968000000000, -0.0013139500000000 ] - [ -0.0006399800000000, 0.0001544200000000, -0.0013099000000000 ] - [ 0.0000539900000000, -0.0009383700000000, 0.0030917700000000 ] - [ 0.0001241300000000, -0.0009760600000000, 0.0014619500000000 ] - [ 0.0000911000000000, 0.0001831600000000, -0.0007630500000000 ] - [ -0.0000192600000000, -0.0000691700000000, -0.0010606700000000 ] - [ 0.0065592300000000, 0.0006773100000000, -0.0078005900000000 ] - [ -0.0027405000000000, -0.0010067500000000, 0.0020930300000000 ] - [ 0.0010302400000000, -0.0000522300000000, -0.0059336600000000 ] - [ -0.0001258300000000, 0.0002535100000000, -0.0006545700000000 ] - [ -0.0101411800000000, 0.0104967600000000, -0.0223481300000000 ] - [ 0.0038931600000000, 0.0010349800000000, -0.0002606800000000 ] - [ 0.0038921100000000, 0.0004507900000000, -0.0038708800000000 ] - [ -0.0041543200000000, -0.0048533900000000, -0.0033421000000000 ] - [ -0.0063989000000000, 0.0013073400000000, 0.0070319100000000 ] - [ 0.0035040800000000, -0.0033244600000000, 0.0018550800000000 ] - [ -0.0001431100000000, -0.0001877800000000, -0.0017542300000000 ] - [ -0.0017240100000000, 0.0002380800000000, -0.0006060200000000 ] - [ -0.1617568200000000, -0.0053313200000000, 0.2655350600000000 ] - [ 0.0066554900000000, 0.0007766400000000, 0.0024496800000000 ] - [ 0.0012722300000000, 0.0007371000000000, -0.0022078900000000 ] - [ -0.0009651500000000, 0.0008270200000000, -0.0024678400000000 ] - [ 0.0013916700000000, -0.0003799900000000, -0.0016762700000000 ] - [ -0.0026401700000000, 0.0003142600000000, -0.0006302100000000 ] - [ -0.0019615700000000, 0.0023119400000000, 0.0009284500000000 ] - [ 0.0009474500000000, 0.0009792700000000, 0.0003101400000000 ] - [ 0.0030736200000000, 0.0024682100000000, -0.0020123900000000 ] - [ -0.0005549500000000, 0.0017057600000000, 0.0000737200000000 ] - [ 0.0003706000000000, -0.0035388800000000, -0.0033969400000000 ] - [ 0.0008326500000000, 0.0001209500000000, 0.0007988700000000 ] - [ 0.0108095300000000, 0.0144842300000000, 0.0133961400000000 ] - [ 0.0062781900000000, -0.0221059200000000, 0.0261919600000000 ] - [ -0.0006259400000000, -0.0000152100000000, -0.0020463500000000 ] - [ -0.0010478800000000, 0.0000519800000000, -0.0017773700000000 ] - [ 0.0226282700000000, -0.0318943800000000, 0.0047846900000000 ] - [ 0.0025482500000000, 0.0013567600000000, 0.0018762100000000 ] - [ 0.0020714500000000, -0.0001859300000000, -0.0050767200000000 ] - [ 0.0011684800000000, 0.0000745100000000, -0.0027381200000000 ] - [ 0.0021439000000000, 0.0046121200000000, -0.0020016600000000 ] - [ -0.0017132200000000, 0.0000460600000000, 0.0024412000000000 ] - [ -0.0013809700000000, -0.0034310800000000, -0.0013812100000000 ] - [ -0.0013394100000000, -0.0000162600000000, 0.0004902000000000 ] - [ 0.0049736700000000, 0.0034779700000000, 0.0016059700000000 ] - [ -0.0022080500000000, -0.0004593500000000, 0.0004909400000000 ] - [ -0.0007333200000000, 0.0002326600000000, -0.0000502800000000 ] - [ 0.0032050700000000, 0.0031433100000000, 0.0036335400000000 ] - [ 0.0062531800000000, -0.0018061900000000, -0.0088823000000000 ] - [ -0.0056632500000000, 0.0043201000000000, -0.0031572600000000 ] - [ -0.0003788700000000, 0.0007805200000000, 0.0000000900000000 ] - [ 0.0003252600000000, 0.0005085100000000, -0.0000491200000000 ] - [ 0.0009374300000000, -0.0002484800000000, -0.0014852400000000 ] - [ -0.0016676400000000, -0.0004551200000000, -0.0004923200000000 ] - [ -0.0010284400000000, -0.0006373700000000, 0.0006501400000000 ] - [ -0.0001293700000000, -0.0003268500000000, 0.0004359500000000 ] - [ 0.0083797700000000, -0.0079583400000000, 0.0029490500000000 ] - [ -0.0031882100000000, -0.0002515100000000, -0.0010714000000000 ] - [ -0.0026672000000000, -0.0005457600000000, 0.0030693600000000 ] - [ -0.0017174200000000, -0.0002072900000000, 0.0028401700000000 ] - [ 0.0033194200000000, 0.0001636200000000, -0.0031274100000000 ] - [ 0.0012813700000000, -0.0003706500000000, -0.0012653100000000 ] - [ 0.0016176200000000, -0.0002434300000000, 0.0017851000000000 ] - [ 0.0024314500000000, -0.0000791300000000, 0.0004604100000000 ] - [ -0.0007418300000000, 0.0002549300000000, -0.0003871500000000 ] - [ 0.0011633700000000, -0.0014146700000000, 0.0002374500000000 ] - [ 0.0006652000000000, -0.0006969300000000, -0.0001303800000000 ] - [ -0.0003485700000000, -0.0000192600000000, -0.0001118700000000 ] - [ -0.0010183800000000, 0.0001817100000000, 0.0003686200000000 ] - [ 0.0009673000000000, 0.0001768100000000, -0.0000891700000000 ] - [ 0.0003469700000000, -0.0005321600000000, 0.0002358600000000 ] - [ -0.0008843500000000, -0.0002123300000000, 0.0002608400000000 ] - [ 0.0057742600000000, -0.0043490500000000, 0.0059556800000000 ] - [ -0.0003618000000000, -0.0000318000000000, -0.0005333300000000 ] - [ -0.0010150900000000, -0.0000667500000000, 0.0012832900000000 ] - [ 0.0019140800000000, -0.0006687900000000, 0.0005609800000000 ] - [ -0.0131653900000000, 0.0481781600000000, -0.0844701400000000 ] - [ -0.0021613900000000, 0.0009365400000000, -0.0009261200000000 ] - [ -0.0002152900000000, 0.0000269000000000, 0.0009133600000000 ] - [ 0.0004713000000000, -0.0000553400000000, 0.0014908800000000 ] - [ 0.0034105400000000, -0.0198719900000000, -0.0359294400000000 ] - [ -0.0030330300000000, -0.0021085700000000, -0.0005989600000000 ] - [ -0.0003085100000000, -0.0001774000000000, 0.0007214500000000 ] - [ 0.0004355000000000, 0.0001559900000000, 0.0011563800000000 ] - [ -0.0019379400000000, -0.0026852900000000, 0.0020470400000000 ] - [ 0.0002060800000000, 0.0002371600000000, 0.0002123700000000 ] - [ -0.0008016900000000, 0.0005686300000000, 0.0014444600000000 ] - [ 0.0008067600000000, 0.0010377500000000, 0.0005766700000000 ] - [ 0.0015970800000000, 0.0002508200000000, -0.0006934000000000 ] - [ -0.0027613100000000, 0.0032783800000000, -0.0003434400000000 ] - [ 0.0001366900000000, 0.0001981400000000, 0.0009861200000000 ] - [ 0.0006057600000000, -0.0000185300000000, 0.0008412400000000 ] - [ -0.0063481700000000, 0.0103817300000000, -0.0003780500000000 ] - [ 0.0001266000000000, 0.0006810900000000, -0.0009835600000000 ] - [ 0.0004535700000000, -0.0013029000000000, 0.0005312600000000 ] - [ 0.0000330900000000, -0.0008366300000000, 0.0002494700000000 ] - [ -0.0017379500000000, -0.0011318000000000, 0.0003914000000000 ] - [ 0.0010383100000000, -0.0003194800000000, -0.0010255400000000 ] - [ 0.0008968000000000, -0.0007906000000000, -0.0006813500000000 ] - [ -0.0003728200000000, -0.0008318500000000, -0.0003717200000000 ] - [ -0.0007854200000000, -0.0036253100000000, -0.0039999900000000 ] - [ 0.0024353100000000, 0.0046169300000000, -0.0021746100000000 ] - [ 0.0002167800000000, 0.0003736500000000, 0.0001349500000000 ] - [ 0.0001506200000000, 0.0002849700000000, 0.0003070500000000 ] - [ -0.0015609800000000, 0.0000199800000000, -0.0035836500000000 ] - [ -0.0132983700000000, 0.0135478100000000, -0.0130268300000000 ] - [ 0.0000392700000000, -0.0004032200000000, 0.0009161800000000 ] - [ -0.0001675000000000, -0.0004618100000000, 0.0014948700000000 ] - [ -0.0018147000000000, 0.0001665500000000, 0.0007780200000000 ] - [ 0.0006105400000000, 0.0002796500000000, -0.0009223500000000 ] - [ -0.0009331800000000, 0.0018477000000000, 0.0008695300000000 ] - [ -0.0005553400000000, 0.0004971300000000, 0.0002187800000000 ] - [ -0.0010820400000000, -0.0012728600000000, -0.0007859200000000 ] - [ 0.0001001200000000, -0.0008841700000000, -0.0016394300000000 ] - [ 0.0007172300000000, 0.0007007700000000, 0.0014504000000000 ] - [ -0.0001351300000000, -0.0001355600000000, 0.0002922000000000 ] - [ -0.0015948800000000, -0.0016236300000000, 0.0012156500000000 ] - [ 0.0029652500000000, -0.0018153300000000, 0.0007444400000000 ] - [ -0.0001422400000000, 0.0015669500000000, 0.0015091700000000 ] - [ -0.0003192500000000, 0.0002413600000000, 0.0003640300000000 ] - [ -0.0038927300000000, 0.0011664900000000, 0.0035832300000000 ] - [ -0.0028877900000000, 0.0000789300000000, -0.0013541800000000 ] - [ -0.0031068100000000, -0.0003224800000000, 0.0048788900000000 ] - [ -0.0020379200000000, 0.0004675600000000, 0.0015363000000000 ] - [ 0.0021007900000000, -0.0018833200000000, -0.0006821900000000 ] - [ 0.0009292400000000, 0.0016287000000000, -0.0030282500000000 ] - [ 0.0017255400000000, 0.0005099600000000, 0.0017825300000000 ] - [ 0.0021254300000000, 0.0001597300000000, 0.0007026500000000 ] - [ 0.0026034700000000, 0.0057462300000000, -0.0015030600000000 ] - [ -0.0001388500000000, 0.0003624800000000, -0.0003910000000000 ] - [ -0.0005523700000000, 0.0001835800000000, 0.0010820600000000 ] - [ 0.0006201100000000, 0.0005684200000000, 0.0006093000000000 ] - [ 0.1472931900000000, -0.0189625200000000, -0.1419324300000000 ] - [ -0.0028469000000000, -0.0005988600000000, 0.0005377400000000 ] - [ -0.0008238200000000, -0.0002480500000000, 0.0016572600000000 ] - [ 0.0004901100000000, -0.0005917600000000, 0.0011472800000000 ] - [ -0.0013445800000000, -0.0038361600000000, 0.0031764400000000 ] - [ -0.0002154700000000, -0.0007588800000000, 0.0002577500000000 ] - [ -0.0002068000000000, 0.0018709600000000, 0.0022855900000000 ] - [ 0.0011974300000000, 0.0004153000000000, 0.0001751700000000 ]- atom: 49 displacement: [ 0.0099996083916704, 0.0000000000000000, -0.0000884986623371 ] forces: - [ -0.0000399300000000, -0.0000062000000000, 0.0004797000000000 ] - [ 0.0001372100000000, 0.0001850000000000, -0.0005917000000000 ] - [ 0.0073707600000000, -0.0063318000000000, -0.0031993100000000 ] - [ -0.0017816300000000, 0.0001890800000000, 0.0004196600000000 ] - [ -0.0004388600000000, -0.0008164000000000, -0.0011859000000000 ] - [ 0.0000536900000000, 0.0000303500000000, 0.0000929200000000 ] - [ -0.0009082800000000, -0.0000601000000000, -0.0002700000000000 ] - [ 0.0008565400000000, 0.0003370100000000, -0.0001593000000000 ] - [ 0.0004549600000000, -0.0004407900000000, 0.0012564600000000 ] - [ -0.0004157600000000, -0.0002058100000000, -0.0004769300000000 ] - [ 0.0002604800000000, -0.0002855900000000, 0.0004145600000000 ] - [ -0.0002243800000000, -0.0001332700000000, -0.0003036300000000 ] - [ -0.0065946900000000, 0.0020931200000000, 0.0006446300000000 ] - [ 0.0263332000000000, -0.0032108000000000, -0.0052693300000000 ] - [ -0.0001686400000000, 0.0001702100000000, -0.0007822300000000 ] - [ 0.0000637100000000, 0.0000126200000000, -0.0002993400000000 ] - [ 0.0896564800000000, 0.0764461800000000, 0.0126921000000000 ] - [ -0.0032819600000000, 0.0002141300000000, -0.0005204500000000 ] - [ 0.0013851800000000, 0.0003160200000000, -0.0007806200000000 ] - [ 0.0011194000000000, -0.0000220700000000, -0.0016791600000000 ] - [ 0.0004155600000000, -0.0009049700000000, 0.0002121200000000 ] - [ -0.0024386200000000, 0.0003160100000000, 0.0018150600000000 ] - [ -0.0019796700000000, 0.0001206600000000, 0.0010072800000000 ] - [ 0.0001580200000000, -0.0006652900000000, -0.0005080100000000 ] - [ -0.0001823500000000, 0.0037871000000000, -0.0060985100000000 ] - [ -0.0014226700000000, 0.0008878800000000, 0.0013530700000000 ] - [ -0.0008047500000000, 0.0007343600000000, -0.0000124100000000 ] - [ 0.0025735200000000, 0.0007571900000000, -0.0026437800000000 ] - [ -0.0005640900000000, 0.0001840400000000, -0.0000102600000000 ] - [ -0.0007673000000000, -0.0000332800000000, -0.0006438000000000 ] - [ 0.0032980500000000, -0.0017512100000000, 0.0003014600000000 ] - [ -0.0047790700000000, -0.0001502500000000, 0.0010822600000000 ] - [ -0.0049338900000000, -0.0024054100000000, 0.0042323900000000 ] - [ -0.0017150500000000, 0.0030765100000000, -0.0014759700000000 ] - [ 0.0001857900000000, -0.0008026800000000, -0.0008317500000000 ] - [ 0.0006264500000000, -0.0003989300000000, -0.0001339100000000 ] - [ 0.0025287300000000, -0.0029494900000000, 0.0032419600000000 ] - [ -0.0027011300000000, 0.0012582700000000, -0.0007197800000000 ] - [ 0.0004813400000000, -0.0006800400000000, 0.0009321400000000 ] - [ -0.0020203600000000, 0.0002480400000000, -0.0019608600000000 ] - [ 0.0049710600000000, -0.0013672500000000, -0.0027593700000000 ] - [ -0.0004973300000000, 0.0003574500000000, -0.0010822800000000 ] - [ 0.0011454400000000, -0.0000434600000000, 0.0018889900000000 ] - [ 0.0002562100000000, 0.0007674400000000, -0.0021814900000000 ] - [ -0.0010845000000000, -0.0000107700000000, 0.0009133700000000 ] - [ -0.0011826200000000, -0.0000246900000000, 0.0002932700000000 ] - [ -0.0029051200000000, 0.0017586600000000, 0.0013050800000000 ] - [ -0.0061501700000000, -0.0056169200000000, -0.0020360300000000 ] - [ -0.1594191600000000, -0.0855155900000000, -0.0127534100000000 ] - [ 0.0016575300000000, 0.0009429200000000, -0.0004390000000000 ] - [ -0.0002123500000000, 0.0003111800000000, -0.0004297400000000 ] - [ -0.0000259000000000, 0.0006349100000000, 0.0000006500000000 ] - [ -0.0024599400000000, 0.0011535800000000, -0.0009839900000000 ] - [ 0.0012876700000000, 0.0001391200000000, -0.0009491600000000 ] - [ -0.0000448800000000, 0.0005971400000000, -0.0006588600000000 ] - [ -0.0000305500000000, 0.0007258300000000, -0.0001771500000000 ] - [ -0.0011738800000000, -0.0004232200000000, -0.0001006100000000 ] - [ 0.0003421900000000, -0.0002221100000000, -0.0001810500000000 ] - [ -0.0002533500000000, -0.0003526200000000, -0.0001517900000000 ] - [ -0.0007647600000000, -0.0004215700000000, 0.0003671100000000 ] - [ -0.0071766000000000, -0.0026471100000000, 0.0090176500000000 ] - [ -0.0011756200000000, -0.0005238300000000, -0.0004654700000000 ] - [ -0.0018109900000000, -0.0005487900000000, 0.0001453500000000 ] - [ -0.0021686600000000, -0.0004726300000000, 0.0012755500000000 ] - [ 0.0016422900000000, -0.0004446500000000, -0.0000765500000000 ] - [ 0.0027539400000000, -0.0001831200000000, -0.0015404800000000 ] - [ 0.0022003000000000, -0.0003082800000000, -0.0004418400000000 ] - [ 0.0019703800000000, -0.0001663000000000, 0.0003815600000000 ] - [ 0.0001491100000000, -0.0001501900000000, -0.0003013500000000 ] - [ 0.0000535900000000, -0.0002026500000000, -0.0001410600000000 ] - [ -0.0015491900000000, 0.0016743100000000, -0.0007060900000000 ] - [ 0.0013264000000000, -0.0005741000000000, -0.0002439300000000 ] - [ -0.0000798800000000, 0.0002100800000000, 0.0000311500000000 ] - [ 0.0000593800000000, 0.0003746100000000, 0.0004446500000000 ] - [ -0.0013842100000000, 0.0007518900000000, -0.0002412300000000 ] - [ 0.0016547900000000, 0.0009508400000000, 0.0001291600000000 ] - [ 0.0207350100000000, 0.0093462800000000, 0.0047701600000000 ] - [ 0.0040062300000000, -0.0018266100000000, -0.0001569900000000 ] - [ 0.0006149900000000, -0.0006270000000000, 0.0001553700000000 ] - [ 0.0003517700000000, -0.0004815300000000, 0.0003012600000000 ] - [ 0.0006804000000000, -0.0010024800000000, 0.0018261800000000 ] - [ 0.0005606100000000, 0.0001573000000000, -0.0005661300000000 ] - [ 0.0008030700000000, -0.0002181800000000, 0.0003057300000000 ] - [ -0.0016975500000000, 0.0004073900000000, 0.0010259400000000 ] - [ 0.0002911300000000, -0.0000557600000000, 0.0010381400000000 ] - [ -0.0002686200000000, -0.0006084700000000, -0.0000644200000000 ] - [ 0.0004119600000000, -0.0000735500000000, 0.0003673900000000 ] - [ -0.0011812000000000, -0.0009717600000000, 0.0003389200000000 ] - [ 0.0065136900000000, 0.0059925100000000, -0.0016283700000000 ] - [ 0.0021974400000000, 0.0005421100000000, 0.0002079400000000 ] - [ 0.0000038100000000, 0.0006639200000000, 0.0007745700000000 ] - [ -0.0001340400000000, 0.0005330700000000, 0.0007202000000000 ] - [ -0.0002175600000000, 0.0011687700000000, 0.0006495100000000 ] - [ 0.0003105000000000, 0.0005362800000000, 0.0000388200000000 ] - [ 0.0005251000000000, 0.0003837600000000, 0.0004312000000000 ] - [ -0.0002588400000000, 0.0008123800000000, 0.0003375300000000 ] - [ -0.0008271700000000, 0.0003889800000000, -0.0008124400000000 ] - [ 0.0003669800000000, -0.0006653900000000, 0.0000041000000000 ] - [ -0.0008240500000000, 0.0000771100000000, -0.0007879200000000 ] - [ 0.0003659500000000, -0.0009412400000000, -0.0000808300000000 ] - [ 0.0000201000000000, -0.0004829600000000, -0.0006330100000000 ] - [ 0.0000105800000000, -0.0005577200000000, -0.0004537500000000 ] - [ -0.0014932200000000, -0.0004312900000000, -0.0004739500000000 ] - [ 0.0034576600000000, 0.0010590200000000, -0.0013658000000000 ] - [ 0.0000536900000000, 0.0008195700000000, -0.0006938100000000 ] - [ 0.0001844000000000, -0.0001860800000000, -0.0002404300000000 ] - [ -0.0001908900000000, 0.0002039900000000, -0.0003469300000000 ] - [ 0.0005083700000000, 0.0004597000000000, 0.0001021700000000 ] - [ 0.0016439900000000, 0.0021551500000000, -0.0066431700000000 ] - [ 0.0016437000000000, -0.0017237200000000, 0.0019330900000000 ] - [ -0.0006138400000000, -0.0000148400000000, -0.0000767200000000 ] - [ 0.0003905600000000, -0.0005166100000000, 0.0006828200000000 ] - [ -0.0005099500000000, 0.0005227300000000, -0.0002359100000000 ] - [ -0.0003031800000000, 0.0003513500000000, 0.0002227000000000 ] - [ 0.0016520400000000, -0.0024792400000000, -0.0010393300000000 ] - [ 0.0024235200000000, 0.0001290900000000, 0.0004809200000000 ] - [ 0.0023332000000000, 0.0014088000000000, 0.0003283700000000 ] - [ -0.0010378900000000, -0.0020856300000000, -0.0010576000000000 ] - [ 0.0002134900000000, 0.0000600000000000, 0.0004051600000000 ] - [ 0.0000514000000000, -0.0001039100000000, -0.0000214700000000 ] - [ 0.0024229700000000, 0.0011692900000000, -0.0002467700000000 ] - [ 0.0038769300000000, -0.0131823600000000, 0.0001672900000000 ] - [ 0.0000220200000000, 0.0001465800000000, 0.0004998400000000 ] - [ -0.0001644600000000, 0.0002082600000000, 0.0002440800000000 ] - [ -0.0022528000000000, 0.0006967100000000, 0.0015544800000000 ] - [ -0.0019383600000000, 0.0003210200000000, 0.0006503500000000 ] - [ -0.0016296200000000, 0.0006210000000000, -0.0027412500000000 ] - [ -0.0015295200000000, 0.0002961600000000, 0.0010615300000000 ] - [ 0.0016162700000000, 0.0007344600000000, -0.0007734400000000 ] - [ 0.0024747300000000, 0.0000059300000000, -0.0000672700000000 ] - [ 0.0026157200000000, 0.0001981100000000, -0.0016371600000000 ] - [ 0.0019947000000000, 0.0008268000000000, 0.0028878600000000 ] - [ -0.0002852300000000, 0.0007489800000000, 0.0010001400000000 ] - [ 0.0008703600000000, 0.0005919300000000, 0.0000678100000000 ] - [ 0.0011869800000000, 0.0006850500000000, -0.0004854900000000 ] - [ 0.0003684500000000, 0.0003700300000000, 0.0004787300000000 ] - [ -0.0012304100000000, -0.0010294500000000, 0.0017940400000000 ] - [ 0.0008053800000000, -0.0008124900000000, 0.0002124600000000 ] - [ 0.0007630100000000, -0.0009493000000000, 0.0000848300000000 ] - [ 0.0000184600000000, -0.0006457600000000, 0.0029648900000000 ] - [ 0.0000098600000000, -0.0006235000000000, 0.0005585900000000 ] - [ 0.0002778200000000, -0.0003669200000000, 0.0003696700000000 ] - [ 0.0011200000000000, -0.0013701700000000, -0.0001180900000000 ] - [ 0.0151027500000000, 0.0189948100000000, 0.0046312700000000 ]- atom: 49 displacement: [ -0.0099996083916704, 0.0000000000000000, 0.0000884986623371 ] forces: - [ 0.0001346800000000, 0.0000319400000000, -0.0000225900000000 ] - [ -0.0000439300000000, -0.0001590400000000, 0.0010489700000000 ] - [ -0.0071425200000000, 0.0061864400000000, 0.0035577200000000 ] - [ 0.0018712500000000, -0.0001654600000000, 0.0000332500000000 ] - [ 0.0003426400000000, 0.0008435400000000, 0.0007271900000000 ] - [ -0.0001476200000000, -0.0000029800000000, -0.0005447000000000 ] - [ 0.0008112700000000, 0.0000869100000000, -0.0001851100000000 ] - [ -0.0009474700000000, -0.0003160800000000, -0.0002932600000000 ] - [ -0.0003579700000000, 0.0004155900000000, -0.0007992700000000 ] - [ 0.0005065800000000, 0.0001761400000000, 0.0009270000000000 ] - [ -0.0001661400000000, 0.0002602500000000, 0.0000411000000000 ] - [ 0.0003172700000000, 0.0001072600000000, 0.0007574500000000 ] - [ 0.0065237600000000, -0.0021240100000000, -0.0011120200000000 ] - [ -0.0239950200000000, 0.0029421900000000, 0.0041215000000000 ] - [ 0.0000748000000000, -0.0001963600000000, 0.0003270000000000 ] - [ -0.0001588600000000, -0.0000390800000000, -0.0001530800000000 ] - [ -0.0890728000000000, -0.0799945000000000, -0.0149642600000000 ] - [ 0.0055588900000000, -0.0001405900000000, -0.0009363400000000 ] - [ 0.0009029700000000, -0.0002511300000000, -0.0006737200000000 ] - [ 0.0011724200000000, 0.0000882000000000, 0.0002269400000000 ] - [ -0.0027069600000000, 0.0009721700000000, 0.0012378100000000 ] - [ 0.0001475100000000, -0.0002520800000000, -0.0003580500000000 ] - [ -0.0003131600000000, -0.0000535600000000, 0.0004508000000000 ] - [ -0.0024405200000000, 0.0007299000000000, 0.0019648500000000 ] - [ 0.0013023800000000, -0.0031350400000000, 0.0061508300000000 ] - [ 0.0025586200000000, -0.0002374100000000, -0.0013015200000000 ] - [ 0.0019398800000000, -0.0000833100000000, 0.0000545600000000 ] - [ -0.0014025700000000, -0.0001192700000000, 0.0027034800000000 ] - [ -0.0005740600000000, 0.0004685000000000, -0.0000307500000000 ] - [ -0.0003718200000000, 0.0006838200000000, 0.0006017000000000 ] - [ -0.0044300800000000, 0.0024068200000000, -0.0003472200000000 ] - [ 0.0036264400000000, 0.0008016400000000, -0.0011246200000000 ] - [ 0.0060300700000000, 0.0017683600000000, -0.0041605600000000 ] - [ 0.0028521400000000, -0.0037291600000000, 0.0015171900000000 ] - [ 0.0009539600000000, 0.0001522500000000, 0.0008757300000000 ] - [ 0.0005109300000000, -0.0002532700000000, 0.0001791800000000 ] - [ -0.0036413100000000, 0.0022847500000000, -0.0032843900000000 ] - [ 0.0015621200000000, -0.0019188900000000, 0.0006796700000000 ] - [ -0.0016312900000000, 0.0000309400000000, -0.0009685800000000 ] - [ 0.0008809000000000, -0.0008971900000000, 0.0019120700000000 ] - [ -0.0026713900000000, 0.0013061000000000, 0.0013058500000000 ] - [ 0.0027827800000000, -0.0004179000000000, -0.0003697100000000 ] - [ 0.0011369500000000, -0.0000231700000000, -0.0033347100000000 ] - [ 0.0020368700000000, -0.0008333500000000, 0.0007150200000000 ] - [ -0.0012063300000000, -0.0000563000000000, 0.0005442000000000 ] - [ -0.0011070100000000, -0.0000405300000000, 0.0011676500000000 ] - [ 0.0005932900000000, -0.0018229700000000, 0.0001480900000000 ] - [ 0.0038930400000000, 0.0055896500000000, 0.0034899800000000 ] - [ 0.1586257100000000, 0.0905743900000000, 0.0139226200000000 ] - [ -0.0019529900000000, -0.0000002500000000, -0.0002667300000000 ] - [ -0.0000862800000000, 0.0006293500000000, -0.0002789700000000 ] - [ -0.0002742900000000, 0.0003043100000000, -0.0007090100000000 ] - [ 0.0024824700000000, 0.0000098800000000, -0.0002263100000000 ] - [ -0.0012542400000000, 0.0010360100000000, -0.0002850500000000 ] - [ 0.0000833600000000, 0.0005742500000000, -0.0005769000000000 ] - [ 0.0000622900000000, 0.0004462000000000, -0.0010555100000000 ] - [ 0.0002102600000000, -0.0005590100000000, -0.0000112500000000 ] - [ -0.0012989000000000, -0.0007565600000000, 0.0000686500000000 ] - [ -0.0007062400000000, -0.0006285000000000, 0.0000383400000000 ] - [ -0.0001973300000000, -0.0005600700000000, -0.0004791500000000 ] - [ 0.0030603200000000, 0.0020038700000000, -0.0083580900000000 ] - [ -0.0029780000000000, -0.0001516600000000, 0.0011725500000000 ] - [ -0.0023444800000000, -0.0001253400000000, 0.0005657800000000 ] - [ -0.0019916700000000, -0.0001979800000000, -0.0005661600000000 ] - [ 0.0025148100000000, -0.0002306900000000, -0.0006331100000000 ] - [ 0.0014023600000000, -0.0004897400000000, 0.0008280200000000 ] - [ 0.0019562000000000, -0.0003656100000000, -0.0002728500000000 ] - [ 0.0021857300000000, -0.0005070600000000, -0.0010949300000000 ] - [ 0.0000639500000000, -0.0002603400000000, -0.0002310600000000 ] - [ 0.0001598500000000, -0.0002075400000000, -0.0003909600000000 ] - [ 0.0017584900000000, -0.0020957400000000, 0.0001749900000000 ] - [ -0.0011081500000000, 0.0001624300000000, -0.0002870300000000 ] - [ -0.0000808400000000, 0.0000855300000000, 0.0000114600000000 ] - [ -0.0002199500000000, -0.0000782300000000, -0.0003999600000000 ] - [ 0.0012191800000000, -0.0004550900000000, 0.0002867700000000 ] - [ -0.0018083400000000, -0.0006520300000000, -0.0000829900000000 ] - [ -0.0203562000000000, -0.0105388500000000, -0.0048415600000000 ] - [ -0.0030277400000000, 0.0008393200000000, 0.0002684200000000 ] - [ 0.0003444500000000, -0.0003531800000000, -0.0000429100000000 ] - [ 0.0006045100000000, -0.0004963900000000, -0.0001905000000000 ] - [ -0.0005201900000000, 0.0012980200000000, -0.0018705100000000 ] - [ -0.0004013400000000, 0.0001409900000000, 0.0005173200000000 ] - [ -0.0006414000000000, 0.0005136300000000, -0.0003483200000000 ] - [ 0.0018475800000000, -0.0001168200000000, -0.0011190300000000 ] - [ -0.0005034500000000, -0.0003580300000000, -0.0005057100000000 ] - [ 0.0000536700000000, 0.0001949000000000, 0.0005947200000000 ] - [ -0.0006251000000000, -0.0003383100000000, 0.0001656200000000 ] - [ 0.0009645300000000, 0.0005642200000000, 0.0001822000000000 ] - [ -0.0065157600000000, -0.0048398100000000, 0.0028392800000000 ] - [ -0.0022241200000000, 0.0006282900000000, 0.0010245600000000 ] - [ -0.0000384600000000, 0.0005083600000000, 0.0004581700000000 ] - [ 0.0000989100000000, 0.0006398000000000, 0.0005121300000000 ] - [ 0.0005158500000000, -0.0002261500000000, 0.0000605000000000 ] - [ -0.0000122800000000, 0.0004046500000000, 0.0006677200000000 ] - [ -0.0002267200000000, 0.0005574700000000, 0.0002762400000000 ] - [ 0.0005535600000000, 0.0001322900000000, 0.0003684900000000 ] - [ 0.0005265000000000, -0.0013296900000000, 0.0001038600000000 ] - [ -0.0006627500000000, -0.0002786100000000, -0.0007101800000000 ] - [ 0.0005277400000000, -0.0010190200000000, 0.0000809100000000 ] - [ -0.0006626700000000, -0.0000018600000000, -0.0006247300000000 ] - [ 0.0000154000000000, -0.0006895400000000, -0.0006015000000000 ] - [ 0.0000240500000000, -0.0006142400000000, -0.0007797900000000 ] - [ 0.0015269900000000, -0.0007403800000000, -0.0007591500000000 ] - [ -0.0034119700000000, -0.0022256000000000, 0.0001314500000000 ] - [ 0.0001566200000000, -0.0004075300000000, 0.0001607400000000 ] - [ 0.0000330100000000, 0.0006043000000000, -0.0002895000000000 ] - [ 0.0004052800000000, 0.0002060500000000, -0.0001868000000000 ] - [ -0.0002941300000000, -0.0000471700000000, -0.0006332500000000 ] - [ -0.0018004900000000, -0.0024382800000000, 0.0066508300000000 ] - [ -0.0018103800000000, 0.0014383000000000, -0.0019037500000000 ] - [ 0.0004550300000000, -0.0002807600000000, 0.0001181700000000 ] - [ -0.0005508800000000, 0.0002204000000000, -0.0006369600000000 ] - [ -0.0004495400000000, 0.0004574300000000, 0.0001225400000000 ] - [ -0.0006559300000000, 0.0006289500000000, -0.0003369600000000 ] - [ -0.0025947500000000, 0.0034614800000000, 0.0009304200000000 ] - [ -0.0033685600000000, 0.0008493500000000, -0.0005896900000000 ] - [ -0.0021633600000000, -0.0017025600000000, -0.0003758700000000 ] - [ 0.0011903800000000, 0.0017733000000000, 0.0010082800000000 ] - [ -0.0000536900000000, -0.0003566200000000, -0.0004499500000000 ] - [ 0.0001085600000000, -0.0001920000000000, -0.0000232300000000 ] - [ -0.0026334100000000, -0.0007803800000000, 0.0007829400000000 ] - [ -0.0040751900000000, 0.0135189700000000, 0.0003466700000000 ] - [ -0.0002365700000000, 0.0002639200000000, 0.0000320400000000 ] - [ -0.0000494000000000, 0.0002030200000000, 0.0002870400000000 ] - [ -0.0019049200000000, -0.0000245600000000, -0.0008447800000000 ] - [ -0.0022175000000000, 0.0003518000000000, 0.0000597100000000 ] - [ -0.0025098700000000, 0.0000553900000000, 0.0034325500000000 ] - [ -0.0026259900000000, 0.0003768500000000, -0.0003405100000000 ] - [ 0.0025380100000000, -0.0000593100000000, 0.0000610500000000 ] - [ 0.0016802200000000, 0.0006699400000000, -0.0006495900000000 ] - [ 0.0015442800000000, 0.0004744300000000, 0.0009221700000000 ] - [ 0.0021578900000000, -0.0001507200000000, -0.0035823100000000 ] - [ 0.0012384300000000, 0.0002293100000000, -0.0008842500000000 ] - [ 0.0000908200000000, 0.0003885200000000, 0.0000437000000000 ] - [ -0.0002230400000000, 0.0002977700000000, 0.0005964000000000 ] - [ 0.0005867800000000, 0.0006101100000000, -0.0003638600000000 ] - [ 0.0011984000000000, -0.0001435100000000, -0.0005625600000000 ] - [ -0.0008395600000000, -0.0003606200000000, 0.0010189100000000 ] - [ -0.0007953600000000, -0.0002239000000000, 0.0011491200000000 ] - [ -0.0000654300000000, -0.0005226800000000, -0.0017162900000000 ] - [ 0.0002888100000000, -0.0003164300000000, 0.0001491200000000 ] - [ 0.0000191200000000, -0.0005759700000000, 0.0003365300000000 ] - [ -0.0008152800000000, 0.0004411900000000, 0.0008300200000000 ] - [ -0.0147109000000000, -0.0197687900000000, -0.0038920200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000526800000000, 0.0000851000000000, 0.0002210700000000 ] - [ 0.0001320300000000, 0.0001921500000000, -0.0005711000000000 ] - [ -0.0031906000000000, 0.0255932800000000, 0.0118976200000000 ] - [ -0.0009751100000000, 0.0003427600000000, 0.0005168800000000 ] - [ -0.0008282100000000, -0.0011397700000000, -0.0016795600000000 ] - [ 0.0002590300000000, -0.0001045300000000, -0.0004753800000000 ] - [ -0.0007827800000000, -0.0001326000000000, 0.0000613500000000 ] - [ 0.0005029400000000, 0.0002773900000000, 0.0004741000000000 ] - [ 0.0001451900000000, -0.0013167700000000, 0.0000713800000000 ] - [ -0.0001941600000000, -0.0006521800000000, -0.0008714300000000 ] - [ 0.0001713100000000, -0.0008304900000000, 0.0003020600000000 ] - [ -0.0001749200000000, -0.0004476400000000, -0.0001218000000000 ] - [ -0.0026680500000000, 0.0018743500000000, 0.0004036800000000 ] - [ -0.0104308400000000, 0.0084840800000000, 0.0037025800000000 ] - [ -0.0002275300000000, 0.0002925500000000, -0.0008071300000000 ] - [ 0.0001231300000000, 0.0001812100000000, -0.0006917700000000 ] - [ 0.0840670800000000, 0.1517048500000000, 0.0257133300000000 ] - [ -0.0002020000000000, 0.0016811900000000, -0.0003745700000000 ] - [ 0.0015817700000000, 0.0005117400000000, -0.0009600300000000 ] - [ 0.0010921500000000, 0.0001169800000000, -0.0019059800000000 ] - [ 0.0006315700000000, -0.0027703000000000, 0.0018252800000000 ] - [ -0.0020282700000000, -0.0003676100000000, 0.0014528200000000 ] - [ -0.0009512900000000, -0.0007918100000000, 0.0002238600000000 ] - [ -0.0003276000000000, -0.0012801200000000, -0.0007915800000000 ] - [ -0.0011868000000000, 0.0064660400000000, -0.0042402600000000 ] - [ -0.0008157300000000, 0.0016009700000000, 0.0003686100000000 ] - [ -0.0002468700000000, 0.0014143300000000, -0.0001204500000000 ] - [ -0.0009465200000000, 0.0052130700000000, -0.0037124000000000 ] - [ -0.0006663000000000, -0.0001672800000000, -0.0003886400000000 ] - [ -0.0008847800000000, -0.0002682300000000, -0.0007438900000000 ] - [ 0.0018507400000000, -0.0068712400000000, 0.0009601600000000 ] - [ -0.0035029300000000, -0.0020328100000000, 0.0016216900000000 ] - [ -0.0093708700000000, -0.0012887700000000, 0.0071580000000000 ] - [ 0.0029270900000000, -0.0045054900000000, 0.0025388600000000 ] - [ 0.0000295200000000, -0.0010405100000000, -0.0011809100000000 ] - [ 0.0005974200000000, -0.0005550300000000, -0.0003639500000000 ] - [ -0.0017301100000000, -0.0004689600000000, 0.0031163900000000 ] - [ -0.0018114000000000, 0.0008735600000000, -0.0003465400000000 ] - [ 0.0014309800000000, -0.0002635900000000, -0.0016530700000000 ] - [ -0.0021716400000000, 0.0005799800000000, -0.0018523400000000 ] - [ 0.0049995700000000, -0.0008380700000000, -0.0046572200000000 ] - [ -0.0000905400000000, 0.0004381800000000, -0.0014833600000000 ] - [ 0.0016264500000000, 0.0003174600000000, 0.0031728700000000 ] - [ 0.0002755300000000, 0.0011901500000000, -0.0000716800000000 ] - [ -0.0010700300000000, 0.0000348400000000, 0.0008200900000000 ] - [ -0.0011782600000000, -0.0001172600000000, 0.0001427200000000 ] - [ 0.0028577000000000, -0.0027741300000000, 0.0020176600000000 ] - [ -0.0077001500000000, -0.0080386400000000, -0.0019882000000000 ] - [ -0.0859815700000000, -0.2121369000000000, -0.0581504600000000 ] - [ 0.0003182600000000, -0.0003858800000000, -0.0006165900000000 ] - [ -0.0003057500000000, 0.0001771800000000, -0.0003286100000000 ] - [ 0.0000203500000000, 0.0005865000000000, 0.0000068100000000 ] - [ -0.0004537200000000, 0.0021576200000000, -0.0049889000000000 ] - [ 0.0006046400000000, 0.0003076800000000, -0.0008188300000000 ] - [ -0.0006378300000000, 0.0006964800000000, -0.0001791200000000 ] - [ 0.0002070800000000, 0.0006428300000000, -0.0002151000000000 ] - [ -0.0003877300000000, 0.0003077100000000, -0.0000742200000000 ] - [ 0.0002597200000000, -0.0000482400000000, -0.0000108700000000 ] - [ -0.0003835800000000, -0.0001361900000000, 0.0000689000000000 ] - [ -0.0005440400000000, -0.0001785900000000, 0.0004007400000000 ] - [ -0.0007166000000000, -0.0027137400000000, 0.0126772600000000 ] - [ -0.0016150400000000, -0.0007255700000000, 0.0002397000000000 ] - [ -0.0017468200000000, -0.0006889800000000, 0.0001251200000000 ] - [ -0.0016251100000000, -0.0009867800000000, 0.0013711700000000 ] - [ 0.0018654900000000, 0.0008522400000000, -0.0011390100000000 ] - [ 0.0027475600000000, 0.0001305200000000, -0.0013598300000000 ] - [ 0.0021763300000000, -0.0000926200000000, 0.0000100100000000 ] - [ 0.0020651800000000, -0.0000550300000000, 0.0005018800000000 ] - [ 0.0001275300000000, -0.0000765900000000, -0.0002357900000000 ] - [ 0.0000372300000000, -0.0001169500000000, -0.0001696500000000 ] - [ -0.0012178800000000, 0.0053643100000000, -0.0012371000000000 ] - [ 0.0000683500000000, 0.0008739200000000, -0.0007835200000000 ] - [ -0.0000567300000000, 0.0003502300000000, 0.0002884100000000 ] - [ 0.0001607600000000, 0.0004894000000000, 0.0005618200000000 ] - [ -0.0001329600000000, 0.0026411200000000, -0.0001091200000000 ] - [ 0.0017223000000000, 0.0011869400000000, 0.0000096300000000 ] - [ -0.0012723800000000, -0.0127884100000000, -0.0001221700000000 ] - [ 0.0017227900000000, -0.0017105000000000, -0.0000493100000000 ] - [ 0.0006273100000000, -0.0007032500000000, 0.0002107000000000 ] - [ 0.0004625800000000, -0.0006167600000000, 0.0004910900000000 ] - [ 0.0007667100000000, -0.0012471600000000, 0.0017970300000000 ] - [ 0.0007846600000000, -0.0002089700000000, -0.0000656800000000 ] - [ 0.0006909100000000, -0.0004320500000000, 0.0003954300000000 ] - [ 0.0004156300000000, -0.0006046200000000, 0.0082315400000000 ] - [ 0.0006391100000000, -0.0007181100000000, 0.0010596800000000 ] - [ -0.0004523400000000, -0.0008560900000000, 0.0001055000000000 ] - [ 0.0000356600000000, -0.0005714500000000, 0.0001237600000000 ] - [ -0.0012157700000000, -0.0024307900000000, -0.0004093300000000 ] - [ 0.0140425800000000, 0.0109625200000000, -0.0021765400000000 ] - [ -0.0021782900000000, 0.0010906900000000, 0.0006726400000000 ] - [ -0.0000493400000000, 0.0007011000000000, 0.0008318400000000 ] - [ -0.0001643400000000, 0.0005311100000000, 0.0007656000000000 ] - [ -0.0005486900000000, 0.0021327200000000, 0.0005789100000000 ] - [ 0.0000801300000000, 0.0009736600000000, 0.0002876900000000 ] - [ 0.0002323100000000, 0.0009180400000000, 0.0002761800000000 ] - [ -0.0001937300000000, 0.0011363400000000, 0.0002732300000000 ] - [ -0.0006949200000000, 0.0002470800000000, -0.0002710400000000 ] - [ 0.0003256900000000, -0.0006459700000000, 0.0001376800000000 ] - [ -0.0010067100000000, 0.0002456600000000, -0.0008190700000000 ] - [ 0.0000439400000000, -0.0006448400000000, -0.0004220800000000 ] - [ 0.0000257300000000, -0.0003589700000000, -0.0005262400000000 ] - [ 0.0000340700000000, -0.0004868300000000, -0.0004366900000000 ] - [ -0.0006743600000000, 0.0014166400000000, -0.0010649600000000 ] - [ 0.0027182200000000, 0.0022343100000000, -0.0014488000000000 ] - [ 0.0006522400000000, 0.0009932800000000, -0.0005956700000000 ] - [ 0.0000204700000000, -0.0000127900000000, -0.0003614000000000 ] - [ -0.0001549700000000, 0.0005440600000000, 0.0000278500000000 ] - [ 0.0004408700000000, 0.0004396500000000, 0.0000525900000000 ] - [ 0.0014758300000000, -0.0008118600000000, -0.0028526200000000 ] - [ 0.0009611400000000, -0.0010817400000000, 0.0008104200000000 ] - [ -0.0005582500000000, -0.0005366600000000, 0.0007638800000000 ] - [ 0.0003953200000000, -0.0006611600000000, 0.0007214300000000 ] - [ -0.0004494200000000, 0.0004716100000000, -0.0001728800000000 ] - [ -0.0003321600000000, 0.0003819500000000, 0.0002063100000000 ] - [ -0.0081481100000000, 0.0049848300000000, 0.0007167600000000 ] - [ 0.0032995300000000, 0.0001969700000000, 0.0005149000000000 ] - [ 0.0034603100000000, 0.0023937100000000, 0.0002757700000000 ] - [ 0.0003633800000000, 0.0017053000000000, 0.0002836100000000 ] - [ 0.0002786800000000, 0.0001976400000000, 0.0004915100000000 ] - [ 0.0000841900000000, 0.0000154200000000, 0.0001051900000000 ] - [ 0.0019468100000000, -0.0009805400000000, 0.0002514500000000 ] - [ -0.0080398000000000, 0.0101433900000000, -0.0009103500000000 ] - [ 0.0000984900000000, 0.0001032700000000, 0.0005284000000000 ] - [ -0.0001965100000000, 0.0001854800000000, 0.0002855700000000 ] - [ -0.0022267800000000, 0.0006891000000000, 0.0021822600000000 ] - [ -0.0019693200000000, 0.0003581900000000, 0.0009799400000000 ] - [ -0.0001721400000000, -0.0001168800000000, -0.0064838600000000 ] - [ -0.0020978500000000, -0.0001246000000000, -0.0006349600000000 ] - [ 0.0019151900000000, 0.0006271200000000, -0.0010577600000000 ] - [ 0.0022920700000000, 0.0001527000000000, -0.0000228600000000 ] - [ 0.0009356000000000, 0.0010699000000000, 0.0008501900000000 ] - [ 0.0022091000000000, 0.0010549900000000, 0.0029370100000000 ] - [ -0.0003416800000000, 0.0009381700000000, 0.0015184000000000 ] - [ 0.0006968400000000, 0.0005608700000000, 0.0002265700000000 ] - [ 0.0015758700000000, 0.0009152600000000, -0.0009381000000000 ] - [ 0.0005271000000000, 0.0002914600000000, -0.0002972300000000 ] - [ -0.0007153900000000, -0.0017002400000000, 0.0015783400000000 ] - [ 0.0004785600000000, -0.0009183500000000, 0.0004453700000000 ] - [ 0.0004525100000000, -0.0014064600000000, 0.0002506800000000 ] - [ 0.0010666900000000, -0.0016672600000000, 0.0012395000000000 ] - [ -0.0000046800000000, -0.0006675900000000, 0.0005622700000000 ] - [ 0.0002524200000000, -0.0003444600000000, 0.0005057800000000 ] - [ -0.0007681100000000, -0.0016683200000000, -0.0003192200000000 ] - [ 0.0196291500000000, 0.0168944800000000, 0.0043338300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001475700000000, -0.0000589100000000, 0.0002330400000000 ] - [ -0.0000373800000000, -0.0001661400000000, 0.0010307000000000 ] - [ 0.0030845100000000, -0.0233848600000000, -0.0101570500000000 ] - [ 0.0010719600000000, -0.0003140800000000, -0.0000628500000000 ] - [ 0.0007340500000000, 0.0011672100000000, 0.0012286000000000 ] - [ -0.0003529900000000, 0.0001286800000000, 0.0000213700000000 ] - [ 0.0006919800000000, 0.0001572300000000, -0.0005173700000000 ] - [ -0.0006013000000000, -0.0002644100000000, -0.0009266000000000 ] - [ -0.0000521900000000, 0.0012915300000000, 0.0003801600000000 ] - [ 0.0002908600000000, 0.0006266700000000, 0.0013287100000000 ] - [ -0.0000775800000000, 0.0008056100000000, 0.0001503200000000 ] - [ 0.0002693300000000, 0.0004206300000000, 0.0005764000000000 ] - [ 0.0025834200000000, -0.0018909400000000, -0.0008618300000000 ] - [ 0.0102954100000000, -0.0083686500000000, -0.0041565700000000 ] - [ 0.0001345000000000, -0.0003180400000000, 0.0003535100000000 ] - [ -0.0002189200000000, -0.0002069600000000, 0.0002381000000000 ] - [ -0.0872291000000000, -0.1573813700000000, -0.0287295800000000 ] - [ 0.0025129600000000, -0.0016219100000000, -0.0010822800000000 ] - [ 0.0007067200000000, -0.0004464300000000, -0.0004958000000000 ] - [ 0.0012006400000000, -0.0000493300000000, 0.0004583600000000 ] - [ -0.0029267300000000, 0.0028379800000000, -0.0003574200000000 ] - [ -0.0002595900000000, 0.0004350300000000, 0.0000036000000000 ] - [ -0.0013356500000000, 0.0008588800000000, 0.0012281200000000 ] - [ -0.0019603800000000, 0.0013477500000000, 0.0022455900000000 ] - [ 0.0023261700000000, -0.0058343200000000, 0.0042953100000000 ] - [ 0.0019640000000000, -0.0009511200000000, -0.0003327300000000 ] - [ 0.0013873000000000, -0.0007620100000000, 0.0001627700000000 ] - [ 0.0020885900000000, -0.0045515100000000, 0.0038020000000000 ] - [ -0.0004711400000000, 0.0008192600000000, 0.0003459500000000 ] - [ -0.0002518200000000, 0.0009191800000000, 0.0007036500000000 ] - [ -0.0030009100000000, 0.0075129900000000, -0.0010129400000000 ] - [ 0.0023716800000000, 0.0026856800000000, -0.0016657000000000 ] - [ 0.0105361200000000, 0.0006230200000000, -0.0071283200000000 ] - [ -0.0017593400000000, 0.0038284900000000, -0.0025077700000000 ] - [ 0.0011100300000000, 0.0003904200000000, 0.0012271300000000 ] - [ 0.0005378900000000, -0.0000977300000000, 0.0004080800000000 ] - [ 0.0005710200000000, -0.0001527200000000, -0.0031786200000000 ] - [ 0.0006810100000000, -0.0015276500000000, 0.0003072600000000 ] - [ -0.0025813200000000, -0.0003783800000000, 0.0016061100000000 ] - [ 0.0010394200000000, -0.0012215100000000, 0.0018075700000000 ] - [ -0.0027220300000000, 0.0007770100000000, 0.0032063800000000 ] - [ 0.0023870200000000, -0.0005072700000000, 0.0000297600000000 ] - [ 0.0006501000000000, -0.0003857000000000, -0.0046248500000000 ] - [ 0.0020285200000000, -0.0012672100000000, -0.0013756700000000 ] - [ -0.0012210600000000, -0.0001016200000000, 0.0006352200000000 ] - [ -0.0011107400000000, 0.0000521000000000, 0.0013166600000000 ] - [ -0.0051427500000000, 0.0027040300000000, -0.0005688500000000 ] - [ 0.0054528500000000, 0.0080535000000000, 0.0034443800000000 ] - [ 0.0911824800000000, 0.2163598800000000, 0.0578391300000000 ] - [ -0.0006229000000000, 0.0013244200000000, -0.0000911500000000 ] - [ 0.0000089500000000, 0.0007651800000000, -0.0003782600000000 ] - [ -0.0003199900000000, 0.0003526000000000, -0.0007156900000000 ] - [ 0.0004978000000000, -0.0009922500000000, 0.0037383800000000 ] - [ -0.0005720200000000, 0.0008647800000000, -0.0004144700000000 ] - [ 0.0006757700000000, 0.0004743400000000, -0.0010544200000000 ] - [ -0.0001743000000000, 0.0005255400000000, -0.0010182200000000 ] - [ -0.0005688200000000, -0.0012867300000000, -0.0000401600000000 ] - [ -0.0012196800000000, -0.0009312900000000, -0.0001030700000000 ] - [ -0.0005765600000000, -0.0008441000000000, -0.0001808900000000 ] - [ -0.0004157900000000, -0.0008011400000000, -0.0005130700000000 ] - [ -0.0034117800000000, 0.0020986300000000, -0.0120832900000000 ] - [ -0.0025454000000000, 0.0000534600000000, 0.0004772000000000 ] - [ -0.0024099200000000, 0.0000157200000000, 0.0005879700000000 ] - [ -0.0025320200000000, 0.0003149400000000, -0.0006670600000000 ] - [ 0.0022898100000000, -0.0015218500000000, 0.0004196600000000 ] - [ 0.0014070000000000, -0.0008051500000000, 0.0006456300000000 ] - [ 0.0019800600000000, -0.0005806200000000, -0.0007221100000000 ] - [ 0.0020915600000000, -0.0006187100000000, -0.0012152300000000 ] - [ 0.0000861700000000, -0.0003348100000000, -0.0002960100000000 ] - [ 0.0001764600000000, -0.0002936900000000, -0.0003630700000000 ] - [ 0.0014371400000000, -0.0057596000000000, 0.0007079800000000 ] - [ 0.0001434800000000, -0.0012850800000000, 0.0002526400000000 ] - [ -0.0001030700000000, -0.0000541000000000, -0.0002438300000000 ] - [ -0.0003209700000000, -0.0001929800000000, -0.0005182000000000 ] - [ -0.0000170400000000, -0.0023281100000000, 0.0001642400000000 ] - [ -0.0018830300000000, -0.0008881200000000, 0.0000375500000000 ] - [ 0.0022181800000000, 0.0120195300000000, 0.0002054300000000 ] - [ -0.0007893600000000, 0.0007399100000000, 0.0001635700000000 ] - [ 0.0003313100000000, -0.0002755500000000, -0.0000980100000000 ] - [ 0.0004947000000000, -0.0003606200000000, -0.0003808200000000 ] - [ -0.0006085100000000, 0.0015457300000000, -0.0018469900000000 ] - [ -0.0006261500000000, 0.0005037200000000, 0.0000235200000000 ] - [ -0.0005319100000000, 0.0007273100000000, -0.0004398300000000 ] - [ -0.0002561200000000, 0.0008762500000000, -0.0082903600000000 ] - [ -0.0008580000000000, 0.0003052700000000, -0.0005316600000000 ] - [ 0.0002382000000000, 0.0004449300000000, 0.0004277800000000 ] - [ -0.0002523200000000, 0.0001575800000000, 0.0004077300000000 ] - [ 0.0010041300000000, 0.0020234100000000, 0.0009225700000000 ] - [ -0.0141882600000000, -0.0099265100000000, 0.0033882100000000 ] - [ 0.0021474700000000, 0.0000788300000000, 0.0005628200000000 ] - [ 0.0000146700000000, 0.0004712800000000, 0.0003998400000000 ] - [ 0.0001301900000000, 0.0006426200000000, 0.0004657300000000 ] - [ 0.0008449600000000, -0.0011885400000000, 0.0001251300000000 ] - [ 0.0002160100000000, -0.0000314400000000, 0.0004189500000000 ] - [ 0.0000627500000000, 0.0000257000000000, 0.0004306600000000 ] - [ 0.0004900700000000, -0.0001913100000000, 0.0004332200000000 ] - [ 0.0003988400000000, -0.0011898900000000, -0.0004340100000000 ] - [ -0.0006245900000000, -0.0002938900000000, -0.0008459000000000 ] - [ 0.0007157700000000, -0.0011891700000000, 0.0001133100000000 ] - [ -0.0003449800000000, -0.0002918900000000, -0.0002852100000000 ] - [ 0.0000106000000000, -0.0008131000000000, -0.0007073800000000 ] - [ 0.0000002900000000, -0.0006851200000000, -0.0007965200000000 ] - [ 0.0007127600000000, -0.0025884200000000, -0.0001655000000000 ] - [ -0.0026799400000000, -0.0033970100000000, 0.0002179100000000 ] - [ -0.0004384000000000, -0.0005876400000000, 0.0000624700000000 ] - [ 0.0001924400000000, 0.0004253400000000, -0.0001717600000000 ] - [ 0.0003703000000000, -0.0001333300000000, -0.0005600800000000 ] - [ -0.0002283800000000, -0.0000291700000000, -0.0005852200000000 ] - [ -0.0016460400000000, 0.0004840500000000, 0.0029436600000000 ] - [ -0.0011268000000000, 0.0007886300000000, -0.0007714200000000 ] - [ 0.0004036900000000, 0.0002375500000000, -0.0007173300000000 ] - [ -0.0005566200000000, 0.0003645100000000, -0.0006755800000000 ] - [ -0.0005082900000000, 0.0005069200000000, 0.0000608400000000 ] - [ -0.0006270100000000, 0.0005976100000000, -0.0003204600000000 ] - [ 0.0071711600000000, -0.0040022800000000, -0.0008139000000000 ] - [ -0.0042411800000000, 0.0007739800000000, -0.0006231000000000 ] - [ -0.0033204500000000, -0.0027018300000000, -0.0003263700000000 ] - [ -0.0002002500000000, -0.0019885700000000, -0.0003233000000000 ] - [ -0.0001190800000000, -0.0004940700000000, -0.0005386800000000 ] - [ 0.0000763700000000, -0.0003105100000000, -0.0001497700000000 ] - [ -0.0021651400000000, 0.0014050200000000, 0.0002764200000000 ] - [ 0.0079399200000000, -0.0098089000000000, 0.0014251900000000 ] - [ -0.0003133100000000, 0.0003086100000000, 0.0000023500000000 ] - [ -0.0000166100000000, 0.0002265000000000, 0.0002460400000000 ] - [ -0.0019293800000000, -0.0000167000000000, -0.0014747200000000 ] - [ -0.0021868500000000, 0.0003160700000000, -0.0002698900000000 ] - [ -0.0039760400000000, 0.0008016500000000, 0.0072175500000000 ] - [ -0.0020632700000000, 0.0008012100000000, 0.0013466900000000 ] - [ 0.0022445500000000, 0.0000444700000000, 0.0003444100000000 ] - [ 0.0018635000000000, 0.0005221500000000, -0.0006925700000000 ] - [ 0.0032164100000000, -0.0003947500000000, -0.0015503600000000 ] - [ 0.0019441500000000, -0.0003827500000000, -0.0036305400000000 ] - [ 0.0013011700000000, 0.0000388300000000, -0.0014069800000000 ] - [ 0.0002622800000000, 0.0004197700000000, -0.0001140400000000 ] - [ -0.0006177500000000, 0.0000645500000000, 0.0010539800000000 ] - [ 0.0004294500000000, 0.0006913700000000, 0.0004080000000000 ] - [ 0.0006867500000000, 0.0005317900000000, -0.0003506900000000 ] - [ -0.0005176300000000, -0.0002530200000000, 0.0007893100000000 ] - [ -0.0004891100000000, 0.0002349400000000, 0.0009838700000000 ] - [ -0.0011133000000000, 0.0004935300000000, -0.0000277900000000 ] - [ 0.0003022600000000, -0.0002736000000000, 0.0001439400000000 ] - [ 0.0000434200000000, -0.0005997000000000, 0.0002004100000000 ] - [ 0.0010585500000000, 0.0007260800000000, 0.0010273700000000 ] - [ -0.0192023400000000, -0.0178312100000000, -0.0036062800000000 ]- atom: 49 displacement: [ -0.0045611250918810, 0.0000000000000000, 0.0088992211960493 ] forces: - [ 0.0002285900000000, 0.0000770000000000, -0.0003864400000000 ] - [ -0.0001375400000000, -0.0000521600000000, -0.0001141600000000 ] - [ -0.0052667800000000, 0.0148783400000000, 0.0127127800000000 ] - [ 0.0007739500000000, 0.0000627400000000, 0.0004434600000000 ] - [ -0.0005557600000000, -0.0002956000000000, -0.0004696300000000 ] - [ 0.0001861700000000, -0.0001770900000000, -0.0005081900000000 ] - [ 0.0001830600000000, 0.0000713700000000, -0.0001631900000000 ] - [ -0.0004402200000000, 0.0009190200000000, -0.0002709600000000 ] - [ 0.0000124900000000, 0.0003290000000000, 0.0000289500000000 ] - [ 0.0000713600000000, 0.0001158900000000, 0.0007641100000000 ] - [ 0.0000706800000000, -0.0001204500000000, -0.0000943500000000 ] - [ 0.0000727100000000, -0.0000387500000000, 0.0001497500000000 ] - [ 0.0019561500000000, -0.0004607600000000, -0.0001596500000000 ] - [ -0.0167609200000000, 0.0025098200000000, 0.0097741400000000 ] - [ -0.0001648000000000, -0.0000736400000000, -0.0005479800000000 ] - [ 0.0000917200000000, 0.0000412600000000, -0.0008353000000000 ] - [ -0.0285457600000000, -0.0192567800000000, 0.0220512100000000 ] - [ 0.0030557000000000, -0.0000539200000000, -0.0000560100000000 ] - [ 0.0014116100000000, 0.0000549400000000, -0.0015261000000000 ] - [ 0.0010144300000000, 0.0000332300000000, -0.0017721700000000 ] - [ -0.0029014200000000, 0.0016290600000000, 0.0015561900000000 ] - [ -0.0001074200000000, 0.0000660000000000, 0.0006672900000000 ] - [ -0.0005332200000000, -0.0004030300000000, 0.0000704500000000 ] - [ -0.0018023000000000, -0.0003592500000000, 0.0004976700000000 ] - [ -0.0012556300000000, 0.0005541200000000, -0.0002579700000000 ] - [ 0.0029299900000000, -0.0004057000000000, -0.0006802700000000 ] - [ 0.0011605600000000, 0.0004533400000000, -0.0002877400000000 ] - [ -0.0027125400000000, 0.0020927300000000, -0.0039374900000000 ] - [ -0.0004357200000000, 0.0002313700000000, -0.0005831400000000 ] - [ -0.0008965600000000, 0.0002786400000000, -0.0004352700000000 ] - [ -0.0018880300000000, 0.0010910600000000, 0.0011065400000000 ] - [ 0.0012742600000000, 0.0003659900000000, 0.0001431300000000 ] - [ 0.0033880200000000, 0.0000727800000000, -0.0016614100000000 ] - [ 0.0015595500000000, -0.0016008500000000, 0.0013176200000000 ] - [ 0.0003902200000000, -0.0004134700000000, -0.0006582600000000 ] - [ 0.0006145700000000, -0.0003509200000000, -0.0004754900000000 ] - [ -0.0012111800000000, 0.0032014300000000, -0.0039058200000000 ] - [ -0.0001793400000000, -0.0004889900000000, 0.0000982000000000 ] - [ 0.0010744100000000, -0.0009052500000000, -0.0012986900000000 ] - [ -0.0010096400000000, -0.0009493100000000, 0.0004829100000000 ] - [ 0.0018263900000000, 0.0000486400000000, -0.0023855600000000 ] - [ 0.0014959300000000, -0.0004432300000000, -0.0008906400000000 ] - [ 0.0024458000000000, 0.0003758600000000, -0.0013411100000000 ] - [ 0.0001834600000000, 0.0008591700000000, 0.0000618900000000 ] - [ -0.0010704700000000, -0.0000143800000000, -0.0003627400000000 ] - [ -0.0010620100000000, -0.0000664000000000, 0.0002819000000000 ] - [ 0.0007307500000000, -0.0011443200000000, 0.0014107800000000 ] - [ 0.0000717200000000, 0.0015957100000000, 0.0019864300000000 ] - [ 0.0592670900000000, -0.0112220700000000, -0.0405056700000000 ] - [ -0.0010465100000000, 0.0000242800000000, -0.0005429900000000 ] - [ -0.0001835000000000, 0.0005661300000000, -0.0000744500000000 ] - [ 0.0001132300000000, 0.0007169400000000, -0.0001278600000000 ] - [ 0.0011673500000000, -0.0020092100000000, 0.0016716400000000 ] - [ -0.0004433500000000, 0.0006176400000000, -0.0005943600000000 ] - [ -0.0005544700000000, 0.0008227800000000, -0.0002160200000000 ] - [ 0.0005103700000000, 0.0008332200000000, -0.0006611300000000 ] - [ 0.0000379300000000, -0.0005927200000000, -0.0002641800000000 ] - [ -0.0008836100000000, -0.0006739500000000, -0.0001620800000000 ] - [ -0.0007096100000000, -0.0004808200000000, 0.0001653300000000 ] - [ -0.0002603500000000, -0.0003739400000000, -0.0000005500000000 ] - [ 0.0071613300000000, 0.0132886000000000, -0.0009549700000000 ] - [ -0.0025603200000000, -0.0000801400000000, 0.0002284400000000 ] - [ -0.0022436900000000, -0.0003769300000000, 0.0009860400000000 ] - [ -0.0015975900000000, -0.0008384000000000, 0.0012821900000000 ] - [ 0.0024321800000000, -0.0005375500000000, -0.0015278800000000 ] - [ 0.0017684700000000, -0.0004828700000000, -0.0005002200000000 ] - [ 0.0019379600000000, -0.0002438200000000, 0.0003319000000000 ] - [ 0.0021395600000000, -0.0002394000000000, -0.0000098800000000 ] - [ 0.0000355700000000, -0.0002428300000000, -0.0001190000000000 ] - [ 0.0002739300000000, -0.0003181300000000, -0.0001044500000000 ] - [ 0.0007015400000000, -0.0000867900000000, -0.0005753500000000 ] - [ -0.0006135200000000, 0.0001644800000000, -0.0004457600000000 ] - [ -0.0001690600000000, 0.0001944800000000, 0.0002782800000000 ] - [ 0.0000412100000000, 0.0002384100000000, 0.0002885800000000 ] - [ 0.0005882200000000, -0.0003204500000000, -0.0002714100000000 ] - [ -0.0006917600000000, -0.0001163700000000, -0.0002141100000000 ] - [ -0.0045622400000000, -0.0041078300000000, -0.0051568800000000 ] - [ -0.0013228800000000, 0.0001682100000000, -0.0002352900000000 ] - [ 0.0003529600000000, -0.0004555500000000, 0.0002696800000000 ] - [ 0.0005143600000000, -0.0005802200000000, 0.0004573800000000 ] - [ 0.0002919000000000, 0.0000711200000000, 0.0001050500000000 ] - [ -0.0006633300000000, 0.0001677700000000, 0.0005595300000000 ] - [ -0.0001182500000000, 0.0002120000000000, -0.0001348500000000 ] - [ 0.0011693000000000, 0.0017814600000000, 0.0066275600000000 ] - [ 0.0004552200000000, -0.0001867400000000, 0.0005858100000000 ] - [ -0.0003497200000000, 0.0000557900000000, 0.0004955900000000 ] - [ -0.0002779600000000, -0.0003340900000000, 0.0002001300000000 ] - [ -0.0001096400000000, -0.0012337000000000, 0.0017946400000000 ] - [ -0.0039132100000000, -0.0020027700000000, 0.0012134500000000 ] - [ -0.0012631600000000, 0.0007129800000000, 0.0006684400000000 ] - [ -0.0000811600000000, 0.0005352300000000, 0.0008031900000000 ] - [ -0.0000720200000000, 0.0004782400000000, 0.0008335400000000 ] - [ 0.0005730900000000, -0.0000427200000000, 0.0001350100000000 ] - [ -0.0002039000000000, 0.0005003700000000, 0.0004328000000000 ] - [ 0.0000455700000000, 0.0005811900000000, 0.0003955900000000 ] - [ 0.0003193600000000, 0.0003895100000000, 0.0004647000000000 ] - [ -0.0002251300000000, -0.0004505600000000, -0.0001612700000000 ] - [ -0.0001400700000000, -0.0003250300000000, -0.0004828700000000 ] - [ -0.0002473300000000, -0.0007941200000000, -0.0001726600000000 ] - [ -0.0000646900000000, -0.0006950000000000, -0.0004460700000000 ] - [ -0.0001482500000000, -0.0006893700000000, -0.0003821300000000 ] - [ 0.0001190100000000, -0.0005970900000000, -0.0005545300000000 ] - [ 0.0006366800000000, -0.0003700200000000, -0.0009363300000000 ] - [ -0.0011401300000000, -0.0007725800000000, -0.0004923700000000 ] - [ -0.0004977800000000, -0.0011018700000000, -0.0003072900000000 ] - [ 0.0001701100000000, 0.0002351500000000, -0.0003748800000000 ] - [ 0.0000305700000000, 0.0006284800000000, 0.0000541800000000 ] - [ 0.0001746400000000, 0.0004030000000000, -0.0002106400000000 ] - [ -0.0033359200000000, -0.0026931400000000, 0.0060212400000000 ] - [ -0.0003707600000000, 0.0003032300000000, -0.0007973000000000 ] - [ -0.0004856400000000, -0.0001411400000000, 0.0005928600000000 ] - [ -0.0000613700000000, -0.0000977100000000, 0.0000563100000000 ] - [ -0.0005496300000000, 0.0004217800000000, 0.0003660300000000 ] - [ -0.0004870500000000, 0.0005179800000000, 0.0000562500000000 ] - [ -0.0038529400000000, 0.0035053300000000, -0.0001713100000000 ] - [ -0.0011392300000000, 0.0005694000000000, -0.0003545100000000 ] - [ -0.0010362900000000, -0.0008371900000000, -0.0004062300000000 ] - [ 0.0006749100000000, 0.0008456800000000, 0.0001284400000000 ] - [ 0.0001525000000000, -0.0000764000000000, 0.0002429800000000 ] - [ 0.0000310100000000, -0.0001129700000000, 0.0002523700000000 ] - [ -0.0010733100000000, 0.0003240000000000, 0.0002909300000000 ] - [ -0.0027438700000000, 0.0080218700000000, -0.0020350900000000 ] - [ 0.0000494300000000, 0.0000732200000000, 0.0004490200000000 ] - [ -0.0001421200000000, 0.0001334800000000, 0.0004495000000000 ] - [ -0.0021553800000000, 0.0003778300000000, 0.0010610900000000 ] - [ -0.0021354300000000, 0.0004277100000000, 0.0008373200000000 ] - [ -0.0018623700000000, 0.0001564300000000, -0.0001243600000000 ] - [ -0.0021151300000000, 0.0000768600000000, -0.0006674500000000 ] - [ 0.0024428500000000, -0.0002147500000000, 0.0007947600000000 ] - [ 0.0019393300000000, 0.0003581900000000, -0.0001054500000000 ] - [ 0.0014092800000000, 0.0007083400000000, 0.0002799300000000 ] - [ 0.0021660500000000, 0.0001994200000000, -0.0017290500000000 ] - [ 0.0002136300000000, 0.0007877600000000, 0.0009229600000000 ] - [ 0.0002993000000000, 0.0005286300000000, 0.0001822000000000 ] - [ 0.0001378800000000, 0.0003649800000000, 0.0000599800000000 ] - [ 0.0009353000000000, 0.0003199900000000, -0.0002259100000000 ] - [ 0.0006325300000000, -0.0002475000000000, 0.0002571700000000 ] - [ -0.0007637600000000, -0.0003444700000000, 0.0010471600000000 ] - [ -0.0005427900000000, -0.0005495000000000, 0.0008687700000000 ] - [ 0.0018895300000000, -0.0009841900000000, 0.0006782100000000 ] - [ 0.0003951900000000, -0.0002171000000000, 0.0005660200000000 ] - [ 0.0001062300000000, -0.0003843600000000, 0.0006111800000000 ] - [ -0.0007164100000000, -0.0006586700000000, 0.0002251900000000 ] - [ -0.0029130300000000, -0.0058090900000000, -0.0036292100000000 ]- atom: 49 displacement: [ 0.0045611250918810, 0.0000000000000000, -0.0088992211960493 ] forces: - [ -0.0001357500000000, -0.0000488100000000, 0.0008329600000000 ] - [ 0.0002313900000000, 0.0000811500000000, 0.0005576200000000 ] - [ 0.0054512700000000, -0.0144441100000000, -0.0122621100000000 ] - [ -0.0006835100000000, -0.0000342100000000, 0.0000028300000000 ] - [ 0.0004617500000000, 0.0003232400000000, 0.0000190000000000 ] - [ -0.0002799100000000, 0.0002070700000000, 0.0000640200000000 ] - [ -0.0002793800000000, -0.0000424200000000, -0.0002777800000000 ] - [ 0.0003486600000000, -0.0008827100000000, -0.0001688100000000 ] - [ 0.0000820100000000, -0.0003613300000000, 0.0004155000000000 ] - [ 0.0000195500000000, -0.0001482800000000, -0.0003287700000000 ] - [ 0.0000232200000000, 0.0000898000000000, 0.0005402800000000 ] - [ 0.0000200400000000, 0.0000097600000000, 0.0002946100000000 ] - [ -0.0020754600000000, 0.0004487600000000, -0.0002834400000000 ] - [ 0.0177109300000000, -0.0026383700000000, -0.0102955500000000 ] - [ 0.0000706300000000, 0.0000452500000000, 0.0001020700000000 ] - [ -0.0001845700000000, -0.0000695600000000, 0.0003897300000000 ] - [ 0.0314945100000000, 0.0200003000000000, -0.0234896600000000 ] - [ -0.0007915900000000, 0.0000908600000000, -0.0014149500000000 ] - [ 0.0008704000000000, -0.0000191600000000, 0.0000576500000000 ] - [ 0.0012667900000000, 0.0000010200000000, 0.0002975700000000 ] - [ 0.0006323400000000, -0.0016081200000000, -0.0000930200000000 ] - [ -0.0021810400000000, -0.0000333000000000, 0.0008017800000000 ] - [ -0.0017481500000000, 0.0004346200000000, 0.0014010500000000 ] - [ -0.0004782200000000, 0.0003881100000000, 0.0009713500000000 ] - [ 0.0024239500000000, 0.0001026300000000, 0.0002897500000000 ] - [ -0.0017916000000000, 0.0010662000000000, 0.0007298500000000 ] - [ -0.0000042300000000, 0.0002004800000000, 0.0003326200000000 ] - [ 0.0038510800000000, -0.0014376200000000, 0.0039588100000000 ] - [ -0.0007230700000000, 0.0004196900000000, 0.0005398700000000 ] - [ -0.0002619600000000, 0.0003723100000000, 0.0003901800000000 ] - [ 0.0007458000000000, -0.0004579900000000, -0.0011476700000000 ] - [ -0.0024513400000000, 0.0002780300000000, -0.0001824100000000 ] - [ -0.0022962400000000, -0.0007286400000000, 0.0017703200000000 ] - [ -0.0003890400000000, 0.0009346900000000, -0.0012551500000000 ] - [ 0.0007667900000000, -0.0002396800000000, 0.0006995400000000 ] - [ 0.0005436000000000, -0.0003010700000000, 0.0005177500000000 ] - [ 0.0000709100000000, -0.0038832200000000, 0.0038836600000000 ] - [ -0.0009867500000000, -0.0001589700000000, -0.0001455900000000 ] - [ -0.0022215200000000, 0.0002474500000000, 0.0012525000000000 ] - [ -0.0001535200000000, 0.0002959600000000, -0.0005263500000000 ] - [ 0.0004654300000000, -0.0000784200000000, 0.0009139700000000 ] - [ 0.0007785700000000, 0.0004146300000000, -0.0005844500000000 ] - [ -0.0001556800000000, -0.0004068000000000, -0.0001206700000000 ] - [ 0.0020919700000000, -0.0008886500000000, -0.0015315200000000 ] - [ -0.0012109000000000, -0.0000197400000000, 0.0018348900000000 ] - [ -0.0012199400000000, 0.0000312300000000, 0.0011864600000000 ] - [ -0.0030122700000000, 0.0011130000000000, 0.0000646400000000 ] - [ -0.0023451600000000, -0.0016219000000000, -0.0005182300000000 ] - [ -0.0613272600000000, 0.0111965600000000, 0.0400362800000000 ] - [ 0.0007626600000000, 0.0009257600000000, -0.0001648500000000 ] - [ -0.0001074600000000, 0.0003829500000000, -0.0006333800000000 ] - [ -0.0004033200000000, 0.0002339600000000, -0.0005784200000000 ] - [ -0.0011475000000000, 0.0032114900000000, -0.0029319200000000 ] - [ 0.0004872100000000, 0.0005577500000000, -0.0006566400000000 ] - [ 0.0005919700000000, 0.0003536700000000, -0.0010336700000000 ] - [ -0.0004679700000000, 0.0003436200000000, -0.0005895000000000 ] - [ -0.0009997200000000, -0.0003899500000000, 0.0001568400000000 ] - [ -0.0000708200000000, -0.0003089600000000, 0.0000545200000000 ] - [ -0.0002485200000000, -0.0005032500000000, -0.0002750200000000 ] - [ -0.0006985000000000, -0.0006104000000000, -0.0001082200000000 ] - [ -0.0114328300000000, -0.0140934500000000, 0.0014953300000000 ] - [ -0.0015967400000000, -0.0005938900000000, 0.0005022500000000 ] - [ -0.0019163400000000, -0.0002953500000000, -0.0002593600000000 ] - [ -0.0025614500000000, 0.0001649200000000, -0.0005477300000000 ] - [ 0.0017275600000000, -0.0001314800000000, 0.0008036500000000 ] - [ 0.0023945400000000, -0.0001866600000000, -0.0002266900000000 ] - [ 0.0022229200000000, -0.0004268900000000, -0.0010602200000000 ] - [ 0.0020208800000000, -0.0004311200000000, -0.0007166500000000 ] - [ 0.0001757700000000, -0.0001684900000000, -0.0004131000000000 ] - [ -0.0000636300000000, -0.0000929200000000, -0.0004273800000000 ] - [ -0.0004949800000000, -0.0003160400000000, 0.0000400100000000 ] - [ 0.0008261400000000, -0.0005740300000000, -0.0000877700000000 ] - [ 0.0000063900000000, 0.0001046300000000, -0.0002355500000000 ] - [ -0.0002040900000000, 0.0000610800000000, -0.0002443300000000 ] - [ -0.0007569600000000, 0.0006254400000000, 0.0003103000000000 ] - [ 0.0005383100000000, 0.0004194200000000, 0.0002555600000000 ] - [ 0.0055340800000000, 0.0031104200000000, 0.0051966500000000 ] - [ 0.0022920800000000, -0.0011584000000000, 0.0003467400000000 ] - [ 0.0006060000000000, -0.0005301000000000, -0.0001601100000000 ] - [ 0.0004434200000000, -0.0004050900000000, -0.0003456200000000 ] - [ -0.0001285600000000, 0.0002234800000000, -0.0001410400000000 ] - [ 0.0008322200000000, 0.0001303300000000, -0.0006061000000000 ] - [ 0.0002824200000000, 0.0000853100000000, 0.0000924200000000 ] - [ -0.0009958800000000, -0.0014513800000000, -0.0066083500000000 ] - [ -0.0006701400000000, -0.0002274600000000, -0.0000519700000000 ] - [ 0.0001385400000000, -0.0004722700000000, 0.0000358600000000 ] - [ 0.0000671400000000, -0.0000797500000000, 0.0003321400000000 ] - [ -0.0001035200000000, 0.0008097000000000, -0.0012424900000000 ] - [ 0.0039613500000000, 0.0032353200000000, 0.0000150400000000 ] - [ 0.0012283400000000, 0.0004621700000000, 0.0005804900000000 ] - [ 0.0000405700000000, 0.0006405200000000, 0.0004483700000000 ] - [ 0.0000309400000000, 0.0006967500000000, 0.0004184600000000 ] - [ -0.0002868600000000, 0.0010008800000000, 0.0005766800000000 ] - [ 0.0004960600000000, 0.0004500700000000, 0.0002749600000000 ] - [ 0.0002445600000000, 0.0003706600000000, 0.0003112600000000 ] - [ -0.0000307500000000, 0.0005631500000000, 0.0002419500000000 ] - [ -0.0000665900000000, -0.0004989400000000, -0.0005462500000000 ] - [ -0.0001473200000000, -0.0006285200000000, -0.0002203900000000 ] - [ -0.0000468400000000, -0.0001549300000000, -0.0005361900000000 ] - [ -0.0002236600000000, -0.0002574600000000, -0.0002613800000000 ] - [ 0.0001885400000000, -0.0004855900000000, -0.0008685300000000 ] - [ -0.0000790100000000, -0.0005782800000000, -0.0006955200000000 ] - [ -0.0005998000000000, -0.0007972200000000, -0.0003168800000000 ] - [ 0.0011906300000000, -0.0003992200000000, -0.0007618000000000 ] - [ 0.0007117900000000, 0.0015245700000000, -0.0002240300000000 ] - [ 0.0000418800000000, 0.0001783500000000, -0.0001563600000000 ] - [ 0.0001798500000000, -0.0002128500000000, -0.0005857700000000 ] - [ 0.0000379400000000, 0.0000115300000000, -0.0003214900000000 ] - [ 0.0032258100000000, 0.0024242400000000, -0.0060515200000000 ] - [ 0.0002114000000000, -0.0006059900000000, 0.0008467300000000 ] - [ 0.0003193400000000, -0.0001562100000000, -0.0005489900000000 ] - [ -0.0001004000000000, -0.0002008700000000, -0.0000135500000000 ] - [ -0.0004087400000000, 0.0005635400000000, -0.0004763300000000 ] - [ -0.0004715700000000, 0.0004669500000000, -0.0001644300000000 ] - [ 0.0028777100000000, -0.0025034100000000, 0.0000552300000000 ] - [ 0.0001856500000000, 0.0004156700000000, 0.0002461200000000 ] - [ 0.0012195400000000, 0.0005523100000000, 0.0003628500000000 ] - [ -0.0005174700000000, -0.0011478600000000, -0.0001740200000000 ] - [ 0.0000103400000000, -0.0002217900000000, -0.0002838300000000 ] - [ 0.0001318200000000, -0.0001853600000000, -0.0002943900000000 ] - [ 0.0008809000000000, 0.0000854500000000, 0.0002391500000000 ] - [ 0.0025351000000000, -0.0076207800000000, 0.0025888800000000 ] - [ -0.0002601100000000, 0.0003378400000000, 0.0000843600000000 ] - [ -0.0000694500000000, 0.0002778900000000, 0.0000833700000000 ] - [ -0.0020063300000000, 0.0002938000000000, -0.0003293700000000 ] - [ -0.0020252100000000, 0.0002431500000000, -0.0001063200000000 ] - [ -0.0022971800000000, 0.0005006700000000, 0.0008128500000000 ] - [ -0.0020443200000000, 0.0005939100000000, 0.0013941800000000 ] - [ 0.0017148200000000, 0.0008896400000000, -0.0015265500000000 ] - [ 0.0022225600000000, 0.0003126900000000, -0.0006204500000000 ] - [ 0.0027496500000000, -0.0000348100000000, -0.0010096000000000 ] - [ 0.0019941000000000, 0.0004720200000000, 0.0010015500000000 ] - [ 0.0007404300000000, 0.0001956500000000, -0.0008106500000000 ] - [ 0.0006607600000000, 0.0004564400000000, -0.0000717900000000 ] - [ 0.0008222500000000, 0.0006203400000000, 0.0000455000000000 ] - [ 0.0000241100000000, 0.0006640200000000, 0.0003351800000000 ] - [ -0.0006773000000000, -0.0009283800000000, 0.0009950700000000 ] - [ 0.0007295500000000, -0.0008332800000000, 0.0002007400000000 ] - [ 0.0005033900000000, -0.0006281800000000, 0.0003804700000000 ] - [ -0.0019202400000000, -0.0001930700000000, 0.0005726200000000 ] - [ -0.0001056800000000, -0.0007336500000000, 0.0001424000000000 ] - [ 0.0001849500000000, -0.0005649900000000, 0.0000973300000000 ] - [ 0.0010067900000000, -0.0002978900000000, 0.0004798500000000 ] - [ 0.0031665300000000, 0.0048330000000000, 0.0043456200000000 ]- atom: 53 displacement: [ 0.0099996083916704, 0.0000000000000000, -0.0000884986623371 ] forces: - [ -0.0007093300000000, -0.0003467500000000, 0.0025919900000000 ] - [ 0.0001623000000000, 0.0002444400000000, -0.0019473800000000 ] - [ 0.0021900600000000, -0.0004098000000000, 0.0015643100000000 ] - [ -0.0009167500000000, -0.0001022000000000, 0.0000160800000000 ] - [ 0.0008008700000000, 0.0017134700000000, -0.0026401000000000 ] - [ -0.0002036900000000, 0.0001506800000000, 0.0004327600000000 ] - [ -0.0002533000000000, -0.0000336600000000, -0.0002967300000000 ] - [ 0.0001573500000000, 0.0001291600000000, 0.0001615100000000 ] - [ 0.0049636500000000, -0.0067396100000000, -0.0007267200000000 ] - [ -0.0051652000000000, -0.0000212800000000, 0.0010094900000000 ] - [ -0.0000456000000000, -0.0000183300000000, 0.0005268600000000 ] - [ 0.0001391000000000, -0.0000773800000000, 0.0000686000000000 ] - [ -0.0013278000000000, -0.0003355500000000, 0.0004193500000000 ] - [ 0.0009667200000000, 0.0026124400000000, -0.0063397200000000 ] - [ 0.0003882000000000, 0.0002871200000000, -0.0004222700000000 ] - [ -0.0004326900000000, 0.0000795200000000, 0.0002643800000000 ] - [ 0.0032795200000000, -0.0002753600000000, 0.0013952700000000 ] - [ -0.0006968300000000, 0.0005965300000000, -0.0019101500000000 ] - [ 0.0015811300000000, 0.0009235400000000, -0.0000004000000000 ] - [ 0.0007310800000000, -0.0002654100000000, -0.0015830300000000 ] - [ 0.0021173100000000, 0.0156388500000000, 0.0068494600000000 ] - [ -0.0112974100000000, -0.0006912200000000, -0.0001048200000000 ] - [ -0.0017823700000000, 0.0002280700000000, 0.0017310600000000 ] - [ -0.0005538600000000, -0.0003080600000000, 0.0003849600000000 ] - [ 0.0011176600000000, -0.0092320000000000, -0.0066762300000000 ] - [ -0.0105355300000000, 0.0064911900000000, 0.0007323700000000 ] - [ 0.0001824400000000, 0.0002906100000000, 0.0002689800000000 ] - [ 0.0010255600000000, 0.0004251700000000, -0.0000871700000000 ] - [ -0.0005989900000000, -0.0002851500000000, 0.0008540700000000 ] - [ -0.0013193500000000, -0.0000218700000000, -0.0013198200000000 ] - [ 0.0029569500000000, 0.0026892100000000, 0.0039712100000000 ] - [ -0.0027001300000000, -0.0004910600000000, -0.0013696800000000 ] - [ -0.0010750300000000, 0.0004257100000000, 0.0011512100000000 ] - [ 0.0016152900000000, 0.0000764700000000, -0.0006021800000000 ] - [ 0.0017378500000000, -0.0005199200000000, -0.0003777000000000 ] - [ -0.0004637300000000, -0.0004040900000000, -0.0000662800000000 ] - [ 0.1560170800000000, -0.0216275600000000, -0.0860771400000000 ] - [ -0.0080907100000000, -0.0011534400000000, -0.0006943500000000 ] - [ -0.0004825300000000, -0.0007666300000000, 0.0009441700000000 ] - [ -0.0006256000000000, -0.0000129200000000, -0.0006131100000000 ] - [ 0.0066503200000000, 0.0005216700000000, -0.0000928000000000 ] - [ -0.0046085000000000, 0.0029135000000000, -0.0009855100000000 ] - [ 0.0007632300000000, 0.0001438900000000, 0.0000132800000000 ] - [ 0.0014586200000000, -0.0000262900000000, -0.0013357300000000 ] - [ 0.0021016200000000, -0.0012575400000000, 0.0016813300000000 ] - [ -0.0028319300000000, -0.0006308100000000, 0.0010825800000000 ] - [ -0.0038818800000000, -0.0006451700000000, 0.0037167000000000 ] - [ -0.0015612200000000, -0.0018966900000000, -0.0021614000000000 ] - [ -0.0026012200000000, 0.0000547000000000, -0.0003516600000000 ] - [ 0.0011360600000000, 0.0010691900000000, -0.0002228200000000 ] - [ -0.0002118900000000, -0.0001817800000000, -0.0010379000000000 ] - [ -0.0001834300000000, 0.0006666200000000, 0.0001720600000000 ] - [ -0.1855039300000000, 0.0265019700000000, 0.0964459100000000 ] - [ 0.0045971900000000, -0.0001098600000000, -0.0015214800000000 ] - [ 0.0002842700000000, 0.0005662900000000, -0.0009590500000000 ] - [ -0.0002046900000000, 0.0006032100000000, -0.0004348800000000 ] - [ -0.0080345000000000, -0.0021714400000000, -0.0016127300000000 ] - [ 0.0023232100000000, 0.0006941700000000, 0.0005403400000000 ] - [ -0.0001825300000000, -0.0004405900000000, -0.0003115700000000 ] - [ -0.0006450000000000, -0.0004653000000000, 0.0001156900000000 ] - [ -0.0042789300000000, 0.0008007300000000, -0.0010319300000000 ] - [ -0.0008210500000000, -0.0014377100000000, 0.0013219500000000 ] - [ -0.0019792000000000, -0.0004364200000000, -0.0000988600000000 ] - [ -0.0021359400000000, -0.0003131100000000, 0.0006781200000000 ] - [ 0.0046282500000000, -0.0047563900000000, -0.0065037800000000 ] - [ 0.0037271800000000, 0.0004534800000000, 0.0013169700000000 ] - [ 0.0021867600000000, -0.0002781000000000, -0.0012985400000000 ] - [ 0.0022018000000000, -0.0001574600000000, -0.0000729100000000 ] - [ 0.0003651400000000, 0.0003047500000000, -0.0008117600000000 ] - [ -0.0003112300000000, -0.0001148300000000, 0.0004853900000000 ] - [ -0.0011906100000000, 0.0002971800000000, -0.0008699300000000 ] - [ 0.0009642300000000, -0.0005316600000000, -0.0000172200000000 ] - [ 0.0001336900000000, 0.0002872200000000, -0.0003519000000000 ] - [ -0.0001011000000000, 0.0003487100000000, 0.0014617100000000 ] - [ -0.0010345600000000, -0.0006639400000000, -0.0011553100000000 ] - [ 0.0006498400000000, 0.0004945000000000, 0.0004440500000000 ] - [ 0.0000853300000000, 0.0003356600000000, -0.0013212900000000 ] - [ 0.0024284300000000, -0.0017497200000000, 0.0012300200000000 ] - [ 0.0003898900000000, -0.0006912600000000, -0.0000800100000000 ] - [ 0.0006535900000000, -0.0005529100000000, 0.0001224700000000 ] - [ 0.0017265700000000, 0.0008559700000000, 0.0021482700000000 ] - [ 0.0063344200000000, -0.0028903100000000, -0.0002638600000000 ] - [ 0.0002950800000000, 0.0001131300000000, 0.0000498100000000 ] - [ -0.0001807600000000, 0.0002253100000000, -0.0001513800000000 ] - [ 0.0012253500000000, 0.0045651700000000, 0.0041651900000000 ] - [ 0.0003143400000000, -0.0026920700000000, -0.0007496800000000 ] - [ 0.0000015000000000, -0.0001604200000000, 0.0003130700000000 ] - [ -0.0002480700000000, -0.0003505900000000, 0.0001612200000000 ] - [ 0.0005965600000000, 0.0002992200000000, -0.0003139800000000 ] - [ -0.0005028700000000, 0.0003107600000000, 0.0010864700000000 ] - [ -0.0005113700000000, 0.0005305700000000, 0.0007506200000000 ] - [ 0.0003970800000000, 0.0006323100000000, 0.0005598500000000 ] - [ 0.0066220600000000, -0.0135914400000000, -0.0007224800000000 ] - [ 0.0023590900000000, 0.0026545500000000, 0.0000836000000000 ] - [ 0.0001598200000000, 0.0005114600000000, 0.0002943700000000 ] - [ 0.0000216500000000, 0.0006273800000000, 0.0002328100000000 ] - [ -0.0016560100000000, 0.0002131500000000, -0.0004313500000000 ] - [ 0.0033012500000000, -0.0031833800000000, 0.0001015000000000 ] - [ -0.0001396900000000, -0.0004853200000000, -0.0005448800000000 ] - [ -0.0001468100000000, -0.0004948700000000, -0.0002459600000000 ] - [ -0.0002074200000000, -0.0001656600000000, -0.0010114300000000 ] - [ 0.0006506900000000, -0.0003651300000000, -0.0003500100000000 ] - [ -0.0002018100000000, -0.0008726700000000, -0.0012972900000000 ] - [ 0.0006455100000000, -0.0002220600000000, -0.0005745500000000 ] - [ 0.0141968700000000, 0.0108643400000000, -0.0032776600000000 ] - [ 0.0040966700000000, 0.0026036500000000, 0.0003402000000000 ] - [ 0.0000882700000000, 0.0002301700000000, -0.0004087100000000 ] - [ 0.0001023300000000, 0.0001945500000000, -0.0002315800000000 ] - [ 0.0134732900000000, -0.0106101100000000, -0.0010829900000000 ] - [ 0.0026129900000000, -0.0009064100000000, 0.0001358000000000 ] - [ -0.0001127700000000, -0.0000376900000000, -0.0002920000000000 ] - [ -0.0000805400000000, -0.0002490900000000, 0.0001341200000000 ] - [ -0.0023471700000000, 0.0024910400000000, -0.0033633200000000 ] - [ 0.0006466000000000, 0.0000779900000000, 0.0001987900000000 ] - [ 0.0002144500000000, 0.0004157900000000, -0.0010781300000000 ] - [ -0.0002612200000000, 0.0006068800000000, 0.0003610900000000 ] - [ 0.0012938700000000, -0.0003723300000000, -0.0007058700000000 ] - [ -0.0011506100000000, 0.0000593800000000, 0.0003133100000000 ] - [ -0.0002247000000000, -0.0001084900000000, 0.0001013300000000 ] - [ 0.0003907200000000, -0.0000092100000000, -0.0000372300000000 ] - [ 0.0008775700000000, -0.0003287000000000, 0.0003064700000000 ] - [ -0.0007992400000000, -0.0003173900000000, 0.0006993300000000 ] - [ -0.0003868600000000, 0.0003468700000000, 0.0003517900000000 ] - [ 0.0001756200000000, -0.0000007400000000, 0.0002330200000000 ] - [ -0.0028954200000000, 0.0001642100000000, 0.0006109800000000 ] - [ -0.0011181600000000, 0.0001388400000000, 0.0007276700000000 ] - [ -0.0019059200000000, 0.0003095300000000, -0.0004226100000000 ] - [ -0.0022803300000000, 0.0002216300000000, 0.0010146300000000 ] - [ -0.0027473500000000, 0.0024089300000000, -0.0001640200000000 ] - [ 0.0033665800000000, 0.0000236800000000, -0.0009229300000000 ] - [ 0.0023745600000000, 0.0005587800000000, -0.0019005300000000 ] - [ 0.0019265200000000, 0.0004501900000000, 0.0007953900000000 ] - [ -0.0019025300000000, -0.0005075200000000, 0.0002216400000000 ] - [ 0.0023923400000000, 0.0007762500000000, 0.0000762100000000 ] - [ 0.0007917800000000, 0.0005547900000000, -0.0001272700000000 ] - [ 0.0001042000000000, 0.0003643200000000, 0.0001340900000000 ] - [ -0.0057105700000000, 0.0015773800000000, 0.0029937200000000 ] - [ 0.0047011900000000, -0.0026549900000000, -0.0010364800000000 ] - [ 0.0003154300000000, -0.0006528100000000, 0.0004282600000000 ] - [ -0.0003351700000000, -0.0005987500000000, 0.0008357600000000 ] - [ -0.0010760100000000, -0.0011817000000000, 0.0004679300000000 ] - [ 0.0009606600000000, 0.0000199700000000, -0.0000683200000000 ] - [ 0.0009236800000000, -0.0000034000000000, 0.0001659100000000 ] - [ 0.0001732300000000, 0.0006036700000000, 0.0025115500000000 ]- atom: 53 displacement: [ -0.0099996083916704, 0.0000000000000000, 0.0000884986623371 ] forces: - [ 0.0008168900000000, 0.0003729900000000, -0.0021461800000000 ] - [ -0.0000825800000000, -0.0002188200000000, 0.0024025700000000 ] - [ -0.0021083500000000, 0.0004355600000000, -0.0010953600000000 ] - [ 0.0010108200000000, 0.0001300500000000, 0.0004215000000000 ] - [ -0.0009087700000000, -0.0016835800000000, 0.0022046600000000 ] - [ 0.0001154900000000, -0.0001237200000000, -0.0008684200000000 ] - [ 0.0001596500000000, 0.0000635100000000, -0.0001495700000000 ] - [ -0.0002506500000000, -0.0001008600000000, -0.0006016600000000 ] - [ -0.0048268300000000, 0.0067036900000000, 0.0011600300000000 ] - [ 0.0052679100000000, -0.0000039000000000, -0.0005728100000000 ] - [ 0.0001408400000000, -0.0000097400000000, -0.0000849100000000 ] - [ -0.0000475900000000, 0.0000495400000000, 0.0003724900000000 ] - [ 0.0012326600000000, 0.0003075500000000, -0.0008665000000000 ] - [ -0.0010292900000000, -0.0026544900000000, 0.0058775400000000 ] - [ -0.0004839800000000, -0.0003232100000000, -0.0000272500000000 ] - [ 0.0003408800000000, -0.0001084900000000, -0.0007039300000000 ] - [ -0.0010259100000000, 0.0002837100000000, -0.0028729300000000 ] - [ 0.0029735700000000, -0.0005675400000000, 0.0004356300000000 ] - [ 0.0007042300000000, -0.0008996200000000, -0.0014722000000000 ] - [ 0.0015430600000000, 0.0002888200000000, 0.0001176700000000 ] - [ -0.0046530800000000, -0.0155767000000000, -0.0054965800000000 ] - [ 0.0089533300000000, 0.0007021200000000, 0.0015726300000000 ] - [ -0.0004947500000000, -0.0002017000000000, -0.0002725900000000 ] - [ -0.0017267100000000, 0.0003353600000000, 0.0010902600000000 ] - [ -0.0001288400000000, 0.0099293900000000, 0.0067957100000000 ] - [ 0.0116451300000000, -0.0058423800000000, -0.0006258800000000 ] - [ 0.0009794800000000, 0.0003602600000000, -0.0002283100000000 ] - [ 0.0001368700000000, 0.0002246000000000, 0.0001337900000000 ] - [ -0.0005490900000000, 0.0009431700000000, -0.0008958300000000 ] - [ 0.0001531800000000, 0.0006797500000000, 0.0012820600000000 ] - [ -0.0041341700000000, -0.0020230900000000, -0.0040105100000000 ] - [ 0.0015375500000000, 0.0011382700000000, 0.0013123600000000 ] - [ 0.0022286000000000, -0.0010800300000000, -0.0011124700000000 ] - [ -0.0004462200000000, -0.0007245900000000, 0.0006445400000000 ] - [ -0.0005801000000000, -0.0001307800000000, 0.0004215600000000 ] - [ 0.0016304300000000, -0.0002438100000000, 0.0001180200000000 ] - [ -0.1495003100000000, 0.0195382200000000, 0.0801372600000000 ] - [ 0.0069365300000000, 0.0004914500000000, 0.0006475100000000 ] - [ -0.0006785800000000, 0.0001147900000000, -0.0009901600000000 ] - [ -0.0005379500000000, -0.0006403800000000, 0.0005659000000000 ] - [ -0.0043386200000000, -0.0005640800000000, -0.0013665400000000 ] - [ 0.0069000900000000, -0.0029392600000000, -0.0004829400000000 ] - [ 0.0015166200000000, -0.0001711800000000, -0.0014878800000000 ] - [ 0.0008216000000000, -0.0000009800000000, -0.0001402300000000 ] - [ -0.0043797800000000, 0.0012266800000000, -0.0002371700000000 ] - [ 0.0005560700000000, 0.0006042500000000, 0.0003976500000000 ] - [ 0.0015973300000000, 0.0006182800000000, -0.0022527900000000 ] - [ -0.0006973900000000, 0.0018829100000000, 0.0036292900000000 ] - [ 0.0023265100000000, 0.0009239700000000, -0.0003774800000000 ] - [ -0.0014215000000000, -0.0001164000000000, -0.0004836100000000 ] - [ -0.0000801900000000, 0.0011335200000000, 0.0003293400000000 ] - [ -0.0001000000000000, 0.0002865700000000, -0.0008816500000000 ] - [ 0.1777453900000000, -0.0239666900000000, -0.0917371500000000 ] - [ -0.0045575200000000, 0.0012853500000000, 0.0002703600000000 ] - [ -0.0002452700000000, 0.0006116300000000, -0.0002931800000000 ] - [ 0.0002470500000000, 0.0005731200000000, -0.0008188100000000 ] - [ 0.0071688300000000, 0.0011155600000000, 0.0015453800000000 ] - [ -0.0032715800000000, -0.0016725000000000, -0.0006444300000000 ] - [ -0.0007801400000000, -0.0005478700000000, 0.0002043700000000 ] - [ -0.0003127100000000, -0.0005213500000000, -0.0002257100000000 ] - [ 0.0001388600000000, -0.0014718400000000, 0.0017737000000000 ] - [ -0.0033405700000000, 0.0007655900000000, -0.0005898900000000 ] - [ -0.0021833600000000, -0.0002355000000000, 0.0008321300000000 ] - [ -0.0020256700000000, -0.0003582600000000, 0.0000515700000000 ] - [ -0.0005142100000000, 0.0041410800000000, 0.0058299500000000 ] - [ 0.0004422700000000, -0.0011212400000000, -0.0020300000000000 ] - [ 0.0019660500000000, -0.0003984300000000, 0.0005844100000000 ] - [ 0.0019599300000000, -0.0005144900000000, -0.0006608400000000 ] - [ -0.0001586100000000, -0.0007181000000000, 0.0002777400000000 ] - [ 0.0005314400000000, -0.0003038500000000, -0.0010192400000000 ] - [ 0.0014059400000000, -0.0007211800000000, 0.0003323800000000 ] - [ -0.0007514900000000, 0.0001180300000000, -0.0005120100000000 ] - [ -0.0003023100000000, 0.0000086400000000, 0.0003888700000000 ] - [ -0.0000605800000000, -0.0000509900000000, -0.0014264300000000 ] - [ 0.0008699200000000, 0.0009613600000000, 0.0011978200000000 ] - [ -0.0008127600000000, -0.0001935100000000, -0.0003961700000000 ] - [ 0.0008805400000000, -0.0013271200000000, 0.0014399400000000 ] - [ -0.0014621100000000, 0.0007586400000000, -0.0011121100000000 ] - [ 0.0005647500000000, -0.0002918200000000, 0.0001907600000000 ] - [ 0.0003055800000000, -0.0004338200000000, -0.0000142500000000 ] - [ -0.0015825400000000, -0.0005759300000000, -0.0022209700000000 ] - [ -0.0061529200000000, 0.0031982200000000, 0.0001801900000000 ] - [ -0.0001318600000000, 0.0001859700000000, -0.0000908000000000 ] - [ 0.0003443200000000, 0.0000741900000000, 0.0001058700000000 ] - [ -0.0014587300000000, -0.0050418500000000, -0.0036904000000000 ] - [ -0.0005267700000000, 0.0022674500000000, 0.0012705600000000 ] - [ -0.0002135600000000, -0.0002528900000000, 0.0002201900000000 ] - [ 0.0000361800000000, -0.0000629200000000, 0.0003703600000000 ] - [ -0.0006292400000000, 0.0008806000000000, 0.0015687100000000 ] - [ 0.0004574800000000, 0.0008641000000000, 0.0001704900000000 ] - [ 0.0004697700000000, 0.0006454400000000, 0.0005035300000000 ] - [ -0.0004382800000000, 0.0005443300000000, 0.0006928200000000 ] - [ -0.0064197700000000, 0.0146811800000000, 0.0014500000000000 ] - [ -0.0020570900000000, -0.0016777800000000, 0.0006171100000000 ] - [ 0.0001307000000000, 0.0004363000000000, 0.0004161500000000 ] - [ 0.0002670400000000, 0.0003236400000000, 0.0004744600000000 ] - [ 0.0013596900000000, -0.0011597400000000, -0.0002774900000000 ] - [ -0.0035976500000000, 0.0022351700000000, -0.0008092600000000 ] - [ -0.0001487000000000, -0.0004664500000000, -0.0001627000000000 ] - [ -0.0001413200000000, -0.0004572700000000, -0.0004606500000000 ] - [ 0.0002375200000000, -0.0010191200000000, -0.0002400000000000 ] - [ -0.0006076800000000, -0.0008119600000000, -0.0009072600000000 ] - [ 0.0002482800000000, -0.0003032700000000, 0.0000452300000000 ] - [ -0.0006087900000000, -0.0009569600000000, -0.0006760700000000 ] - [ -0.0137207300000000, -0.0103036200000000, 0.0026277000000000 ] - [ -0.0038769800000000, -0.0021875300000000, -0.0008703400000000 ] - [ 0.0001235100000000, 0.0001836300000000, -0.0001234800000000 ] - [ 0.0001111000000000, 0.0002202800000000, -0.0002982200000000 ] - [ -0.0133526500000000, 0.0101060100000000, 0.0010394800000000 ] - [ -0.0027792800000000, 0.0006083700000000, -0.0000899200000000 ] - [ -0.0000512100000000, -0.0002613800000000, 0.0003346800000000 ] - [ -0.0000828400000000, -0.0000495900000000, -0.0000886900000000 ] - [ 0.0013839200000000, -0.0015128000000000, 0.0032611400000000 ] - [ -0.0016057200000000, 0.0009094400000000, -0.0003116300000000 ] - [ -0.0011700000000000, 0.0005711800000000, 0.0009709800000000 ] - [ -0.0007031100000000, 0.0003801800000000, -0.0004686300000000 ] - [ -0.0011290600000000, 0.0000748200000000, 0.0006695000000000 ] - [ 0.0013094200000000, -0.0003622600000000, -0.0003571600000000 ] - [ 0.0003904100000000, -0.0001935800000000, -0.0001444000000000 ] - [ -0.0002298600000000, -0.0002925300000000, -0.0000084000000000 ] - [ -0.0010869800000000, 0.0007394200000000, 0.0002272400000000 ] - [ 0.0005845100000000, 0.0007284700000000, -0.0001651100000000 ] - [ 0.0001765300000000, 0.0000655200000000, 0.0001808300000000 ] - [ -0.0003891400000000, 0.0004136100000000, 0.0002974800000000 ] - [ -0.0012691900000000, 0.0005098300000000, 0.0001180300000000 ] - [ -0.0030462300000000, 0.0005311400000000, -0.0000078300000000 ] - [ -0.0022540500000000, 0.0003629100000000, 0.0011555300000000 ] - [ -0.0018824300000000, 0.0004494200000000, -0.0002794100000000 ] - [ 0.0068765000000000, -0.0017650200000000, -0.0004574500000000 ] - [ 0.0007937800000000, 0.0006492100000000, 0.0001840900000000 ] - [ 0.0017864600000000, 0.0001126400000000, 0.0011753800000000 ] - [ 0.0022340400000000, 0.0002199200000000, -0.0015259100000000 ] - [ 0.0028616400000000, 0.0014939400000000, -0.0001130500000000 ] - [ -0.0014380400000000, 0.0002089100000000, 0.0000303200000000 ] - [ 0.0001669500000000, 0.0004316200000000, 0.0002378600000000 ] - [ 0.0008528400000000, 0.0006216700000000, -0.0000238700000000 ] - [ 0.0057424400000000, -0.0026663500000000, -0.0017032500000000 ] - [ -0.0047318800000000, 0.0014780100000000, 0.0022734100000000 ] - [ -0.0003567700000000, -0.0005237400000000, 0.0008266200000000 ] - [ 0.0002933500000000, -0.0005771500000000, 0.0004176400000000 ] - [ 0.0013794500000000, 0.0002433100000000, 0.0002435000000000 ] - [ -0.0006756500000000, -0.0009731500000000, 0.0007754200000000 ] - [ -0.0006326600000000, -0.0009456500000000, 0.0005446600000000 ] - [ 0.0000997800000000, -0.0015595600000000, -0.0018095600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001290900000000, 0.0004566700000000, -0.0006379400000000 ] - [ 0.0002017000000000, 0.0008634400000000, -0.0003524400000000 ] - [ -0.0004188800000000, 0.0019172500000000, 0.0001654100000000 ] - [ 0.0003232800000000, 0.0003209200000000, 0.0003180000000000 ] - [ -0.0002160900000000, -0.0050956800000000, 0.0018790500000000 ] - [ 0.0001714000000000, -0.0008694500000000, -0.0002399300000000 ] - [ -0.0000334100000000, -0.0001122100000000, -0.0003046900000000 ] - [ -0.0000617200000000, -0.0002690700000000, -0.0006407100000000 ] - [ -0.0038742500000000, -0.0010690800000000, 0.0005152600000000 ] - [ 0.0034109100000000, -0.0002242300000000, -0.0002451500000000 ] - [ 0.0000065400000000, -0.0001205100000000, -0.0000158100000000 ] - [ 0.0000700100000000, -0.0000892800000000, 0.0001887000000000 ] - [ -0.0004110900000000, 0.0002325600000000, 0.0001893200000000 ] - [ 0.0010661400000000, -0.0009613300000000, 0.0029666000000000 ] - [ -0.0000901000000000, 0.0003443900000000, -0.0008680500000000 ] - [ -0.0000022300000000, 0.0000450200000000, -0.0005556100000000 ] - [ -0.0009347500000000, -0.0030293600000000, 0.0016530700000000 ] - [ 0.0016948300000000, -0.0004943900000000, 0.0001327100000000 ] - [ 0.0012817000000000, -0.0001926500000000, -0.0014152600000000 ] - [ 0.0008327000000000, -0.0003286100000000, -0.0012795100000000 ] - [ 0.0049984300000000, -0.0001103500000000, -0.0054452300000000 ] - [ -0.0021705100000000, 0.0003642800000000, 0.0006236800000000 ] - [ -0.0008564500000000, -0.0000673300000000, 0.0006271500000000 ] - [ -0.0013509100000000, 0.0002149700000000, 0.0006009300000000 ] - [ -0.0088957900000000, 0.0008903400000000, -0.0020948700000000 ] - [ 0.0058072600000000, -0.0015258600000000, -0.0014882500000000 ] - [ 0.0005604600000000, 0.0005645600000000, -0.0001968500000000 ] - [ 0.0004197400000000, 0.0005324700000000, 0.0000389500000000 ] - [ -0.0009522500000000, 0.0000751000000000, -0.0002493400000000 ] - [ -0.0002066000000000, -0.0001365700000000, 0.0006648700000000 ] - [ -0.0019301800000000, -0.0028466800000000, -0.0044331500000000 ] - [ -0.0000864000000000, 0.0000160600000000, -0.0001749800000000 ] - [ 0.0007983800000000, -0.0018111300000000, -0.0004697100000000 ] - [ -0.0001225000000000, -0.0021482800000000, -0.0000220700000000 ] - [ 0.0000608100000000, -0.0014086500000000, -0.0004538900000000 ] - [ 0.0006242200000000, -0.0007998500000000, -0.0002200900000000 ] - [ -0.0180961200000000, 0.0369232800000000, 0.0109893000000000 ] - [ 0.0001841800000000, 0.0040502400000000, 0.0003688500000000 ] - [ -0.0008678500000000, 0.0002209900000000, -0.0005640800000000 ] - [ -0.0005397300000000, -0.0001098500000000, -0.0000044700000000 ] - [ 0.0029481200000000, -0.0058083000000000, -0.0010407300000000 ] - [ 0.0015440700000000, -0.0025280300000000, -0.0002716300000000 ] - [ 0.0012408600000000, -0.0002699800000000, -0.0006196100000000 ] - [ 0.0011377100000000, -0.0001954700000000, -0.0006355700000000 ] - [ -0.0032747700000000, 0.0024170700000000, 0.0020766500000000 ] - [ -0.0007534700000000, 0.0005007800000000, 0.0008643600000000 ] - [ 0.0006021500000000, 0.0015012800000000, -0.0013484800000000 ] - [ -0.0014422100000000, 0.0008971400000000, 0.0008604600000000 ] - [ 0.0004037800000000, 0.0020465300000000, -0.0029970600000000 ] - [ -0.0006057100000000, 0.0001854000000000, -0.0005500000000000 ] - [ -0.0001375800000000, 0.0005801200000000, -0.0000792300000000 ] - [ -0.0000100200000000, 0.0005231200000000, -0.0000057700000000 ] - [ 0.0255167100000000, -0.0524016200000000, -0.0055570700000000 ] - [ -0.0006968900000000, -0.0006059000000000, -0.0006322100000000 ] - [ -0.0000073600000000, 0.0004532300000000, -0.0004696100000000 ] - [ 0.0000314600000000, 0.0004879500000000, -0.0006133400000000 ] - [ -0.0010513400000000, 0.0068129800000000, -0.0004432200000000 ] - [ -0.0006846600000000, -0.0003818000000000, 0.0000338500000000 ] - [ -0.0004137300000000, -0.0003900800000000, -0.0000168200000000 ] - [ -0.0004266200000000, -0.0004764200000000, -0.0000650400000000 ] - [ -0.0018906500000000, 0.0015864800000000, -0.0010686300000000 ] - [ -0.0024750700000000, 0.0002597400000000, -0.0005020400000000 ] - [ -0.0020836000000000, -0.0003655600000000, 0.0007017900000000 ] - [ -0.0020482900000000, -0.0003431900000000, 0.0005827900000000 ] - [ 0.0000152400000000, 0.0010432800000000, 0.0049552500000000 ] - [ 0.0020768500000000, -0.0004273600000000, -0.0002069600000000 ] - [ 0.0023996600000000, -0.0002297000000000, -0.0005996000000000 ] - [ 0.0020273600000000, -0.0003926200000000, -0.0003480300000000 ] - [ 0.0001526400000000, -0.0003685000000000, -0.0001864400000000 ] - [ -0.0000267300000000, -0.0001170400000000, -0.0008535100000000 ] - [ 0.0006196800000000, -0.0001298800000000, 0.0006315500000000 ] - [ -0.0002096800000000, -0.0000620000000000, -0.0002965300000000 ] - [ -0.0000004300000000, 0.0003979900000000, 0.0002301400000000 ] - [ 0.0000351500000000, 0.0006892600000000, -0.0004876800000000 ] - [ 0.0005841000000000, 0.0012538500000000, 0.0013052400000000 ] - [ -0.0001855700000000, 0.0002890300000000, 0.0001333500000000 ] - [ 0.0012959500000000, -0.0004616600000000, -0.0008068100000000 ] - [ -0.0003524300000000, 0.0000372200000000, -0.0005479600000000 ] - [ 0.0004292600000000, -0.0004788500000000, 0.0002579100000000 ] - [ 0.0005344800000000, -0.0004889600000000, 0.0001512400000000 ] - [ 0.0012363400000000, -0.0029343300000000, 0.0016698800000000 ] - [ -0.0022639600000000, 0.0003833700000000, 0.0004417700000000 ] - [ 0.0000648200000000, 0.0000297200000000, 0.0000414800000000 ] - [ 0.0002165700000000, -0.0000887400000000, -0.0000530100000000 ] - [ 0.0017540200000000, 0.0031859500000000, 0.0022368600000000 ] - [ -0.0005546200000000, 0.0007022300000000, 0.0007078300000000 ] - [ -0.0001220300000000, -0.0002379900000000, 0.0002608700000000 ] - [ -0.0000891100000000, -0.0001489200000000, 0.0002052700000000 ] - [ 0.0002762900000000, 0.0018964600000000, 0.0008496900000000 ] - [ 0.0002622400000000, 0.0011013300000000, 0.0004111900000000 ] - [ 0.0000465200000000, 0.0007870200000000, 0.0006811900000000 ] - [ -0.0000593400000000, 0.0007658000000000, 0.0006471000000000 ] - [ -0.0053079000000000, 0.0109862200000000, 0.0005187700000000 ] - [ 0.0001881700000000, 0.0009645100000000, 0.0002331500000000 ] - [ 0.0000742500000000, 0.0005804900000000, 0.0003721700000000 ] - [ 0.0002048400000000, 0.0004120100000000, 0.0005034500000000 ] - [ -0.0003025300000000, 0.0015365600000000, -0.0006745500000000 ] - [ -0.0018098200000000, 0.0023578600000000, -0.0009885200000000 ] - [ -0.0002532900000000, -0.0002407600000000, -0.0002897100000000 ] - [ -0.0001794900000000, -0.0003675800000000, -0.0003563900000000 ] - [ 0.0002987900000000, -0.0003841400000000, -0.0007399000000000 ] - [ -0.0003575700000000, -0.0005876700000000, -0.0008218400000000 ] - [ -0.0004077400000000, -0.0003813600000000, 0.0000781400000000 ] - [ -0.0002101100000000, -0.0005880500000000, -0.0005282200000000 ] - [ 0.0110500200000000, -0.0068532900000000, -0.0086159600000000 ] - [ -0.0031577400000000, -0.0028414900000000, -0.0010321400000000 ] - [ 0.0001438900000000, 0.0001218200000000, -0.0001832100000000 ] - [ 0.0000438800000000, 0.0001118800000000, -0.0003201800000000 ] - [ -0.0136471100000000, 0.0026816500000000, 0.0051912500000000 ] - [ 0.0017541300000000, -0.0016603100000000, 0.0003790200000000 ] - [ 0.0000399100000000, -0.0003339000000000, 0.0002807200000000 ] - [ -0.0000457100000000, -0.0002537600000000, 0.0001018100000000 ] - [ 0.0007422500000000, -0.0009754900000000, 0.0018655500000000 ] - [ -0.0004029500000000, 0.0002475300000000, -0.0000164600000000 ] - [ -0.0005867400000000, -0.0000353900000000, 0.0004541100000000 ] - [ -0.0004757900000000, 0.0002920300000000, -0.0000837000000000 ] - [ -0.0002002700000000, 0.0005354000000000, 0.0007886500000000 ] - [ 0.0011747000000000, 0.0007630700000000, 0.0007846200000000 ] - [ 0.0002917400000000, 0.0001893700000000, 0.0002040500000000 ] - [ 0.0001476800000000, -0.0000094700000000, 0.0001540000000000 ] - [ -0.0004414800000000, 0.0009531400000000, 0.0000322800000000 ] - [ -0.0005333900000000, 0.0014855100000000, -0.0002960300000000 ] - [ -0.0000927000000000, 0.0005172000000000, 0.0004007000000000 ] - [ -0.0001885300000000, 0.0003812800000000, 0.0003056000000000 ] - [ -0.0021797600000000, 0.0011206900000000, 0.0009796800000000 ] - [ -0.0018843200000000, 0.0007960800000000, 0.0003914300000000 ] - [ -0.0018035100000000, 0.0006342700000000, 0.0000505100000000 ] - [ -0.0018996200000000, 0.0005526500000000, 0.0001485200000000 ] - [ 0.0057516300000000, -0.0016466400000000, -0.0069659500000000 ] - [ 0.0020606900000000, 0.0000670800000000, -0.0005935700000000 ] - [ 0.0020355400000000, -0.0000166500000000, 0.0006122300000000 ] - [ 0.0022002000000000, 0.0001691200000000, -0.0004481500000000 ] - [ 0.0012611700000000, 0.0026546300000000, -0.0001293000000000 ] - [ 0.0000951700000000, 0.0008614400000000, 0.0000941100000000 ] - [ 0.0005685200000000, 0.0006175900000000, 0.0000843200000000 ] - [ 0.0006765900000000, 0.0006410300000000, 0.0001238200000000 ] - [ 0.0021360400000000, 0.0054678400000000, 0.0048203600000000 ] - [ -0.0020842800000000, 0.0002732300000000, 0.0016650900000000 ] - [ -0.0000805000000000, -0.0006517400000000, 0.0006514200000000 ] - [ -0.0000264900000000, -0.0006200600000000, 0.0005299900000000 ] - [ -0.0002832900000000, -0.0015771000000000, 0.0005094300000000 ] - [ -0.0000766700000000, -0.0008018700000000, 0.0005135900000000 ] - [ -0.0002136700000000, -0.0012880700000000, 0.0002107100000000 ] - [ 0.0000830200000000, -0.0015519900000000, -0.0001343700000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000246100000000, -0.0004293600000000, 0.0010746400000000 ] - [ -0.0001099700000000, -0.0008392300000000, 0.0008184100000000 ] - [ 0.0005020700000000, -0.0018883500000000, 0.0002971400000000 ] - [ -0.0002229700000000, -0.0002960900000000, 0.0001374000000000 ] - [ 0.0001229100000000, 0.0051027500000000, -0.0023145000000000 ] - [ -0.0002676100000000, 0.0008924800000000, -0.0002155300000000 ] - [ -0.0000600900000000, 0.0001376400000000, -0.0001505100000000 ] - [ -0.0000344100000000, 0.0002917500000000, 0.0001837200000000 ] - [ 0.0039120900000000, 0.0010908300000000, -0.0000542800000000 ] - [ -0.0032821200000000, 0.0001984200000000, 0.0006923900000000 ] - [ 0.0000895200000000, 0.0000954700000000, 0.0004674600000000 ] - [ 0.0000236300000000, 0.0000650800000000, 0.0002669300000000 ] - [ 0.0003217600000000, -0.0002560600000000, -0.0006481700000000 ] - [ -0.0011634800000000, 0.0009161200000000, -0.0033873700000000 ] - [ -0.0000080400000000, -0.0003746600000000, 0.0004154600000000 ] - [ -0.0000901900000000, -0.0000714400000000, 0.0000972500000000 ] - [ 0.0032138700000000, 0.0030822300000000, -0.0031317700000000 ] - [ 0.0006048700000000, 0.0005563600000000, -0.0015802000000000 ] - [ 0.0010026200000000, 0.0002498100000000, -0.0000449300000000 ] - [ 0.0014622100000000, 0.0003971700000000, -0.0001727300000000 ] - [ -0.0074155800000000, 0.0003506700000000, 0.0067381900000000 ] - [ -0.0000717000000000, -0.0002961800000000, 0.0008383900000000 ] - [ -0.0014281600000000, 0.0001334500000000, 0.0008195800000000 ] - [ -0.0009409700000000, -0.0001468900000000, 0.0008577900000000 ] - [ 0.0100315800000000, -0.0002608900000000, 0.0021448700000000 ] - [ -0.0046148700000000, 0.0021251200000000, 0.0015692000000000 ] - [ 0.0005791100000000, 0.0000862600000000, 0.0002370100000000 ] - [ 0.0007147100000000, 0.0001177900000000, 0.0000040600000000 ] - [ -0.0001823800000000, 0.0005840400000000, 0.0002012400000000 ] - [ -0.0009249800000000, 0.0007929700000000, -0.0006976300000000 ] - [ 0.0007796700000000, 0.0034893600000000, 0.0043501300000000 ] - [ -0.0010385000000000, 0.0006411100000000, 0.0001386000000000 ] - [ 0.0003484000000000, 0.0011538300000000, 0.0005045200000000 ] - [ 0.0012494900000000, 0.0014885400000000, 0.0000648300000000 ] - [ 0.0010688700000000, 0.0007625400000000, 0.0005046200000000 ] - [ 0.0005181900000000, 0.0001473700000000, 0.0002635400000000 ] - [ 0.0164100500000000, -0.0373339200000000, -0.0107099900000000 ] - [ -0.0012779400000000, -0.0046925900000000, -0.0004038700000000 ] - [ -0.0002694300000000, -0.0008707800000000, 0.0005159500000000 ] - [ -0.0005975500000000, -0.0005448400000000, -0.0000340700000000 ] - [ -0.0007024200000000, 0.0057388200000000, -0.0004139700000000 ] - [ 0.0007785100000000, 0.0024426500000000, -0.0011812600000000 ] - [ 0.0010500200000000, 0.0002018700000000, -0.0008425700000000 ] - [ 0.0011505900000000, 0.0001280000000000, -0.0008187400000000 ] - [ 0.0009553000000000, -0.0024719900000000, -0.0006661000000000 ] - [ -0.0015238100000000, -0.0005623800000000, 0.0005917200000000 ] - [ -0.0028777100000000, -0.0015615500000000, 0.0027858600000000 ] - [ -0.0008409200000000, -0.0009472600000000, 0.0006129600000000 ] - [ -0.0006889200000000, -0.0010962800000000, 0.0023048600000000 ] - [ 0.0002999300000000, 0.0007510700000000, -0.0001580100000000 ] - [ -0.0001606400000000, 0.0003657900000000, -0.0006226300000000 ] - [ -0.0002898700000000, 0.0004154100000000, -0.0007043800000000 ] - [ -0.0248316700000000, 0.0529946300000000, 0.0042400600000000 ] - [ 0.0007038500000000, 0.0017806800000000, -0.0005973400000000 ] - [ 0.0000405900000000, 0.0007192300000000, -0.0007622500000000 ] - [ 0.0000057700000000, 0.0006842300000000, -0.0006229400000000 ] - [ 0.0000808800000000, -0.0075969300000000, 0.0003144400000000 ] - [ -0.0002904000000000, -0.0006041000000000, -0.0001490100000000 ] - [ -0.0005504400000000, -0.0005923400000000, -0.0000938700000000 ] - [ -0.0005351700000000, -0.0005066300000000, -0.0000486900000000 ] - [ -0.0022659500000000, -0.0022765700000000, 0.0017934600000000 ] - [ -0.0016894100000000, -0.0009256700000000, 0.0012083500000000 ] - [ -0.0020733600000000, -0.0003073800000000, 0.0000144500000000 ] - [ -0.0021082200000000, -0.0003308000000000, 0.0001292900000000 ] - [ 0.0041234900000000, -0.0017071900000000, -0.0056079700000000 ] - [ 0.0020715700000000, -0.0002505700000000, -0.0005130300000000 ] - [ 0.0017549200000000, -0.0004457300000000, -0.0001048300000000 ] - [ 0.0021282700000000, -0.0002824500000000, -0.0003674900000000 ] - [ 0.0000597200000000, -0.0000477400000000, -0.0003419100000000 ] - [ 0.0002456900000000, -0.0002968600000000, 0.0003162900000000 ] - [ -0.0003967000000000, -0.0002883500000000, -0.0011566200000000 ] - [ 0.0004197000000000, -0.0003476600000000, -0.0002364800000000 ] - [ -0.0001612000000000, -0.0001047800000000, -0.0001862900000000 ] - [ -0.0001960500000000, -0.0003959000000000, 0.0005192900000000 ] - [ -0.0007369900000000, -0.0009516700000000, -0.0012512200000000 ] - [ 0.0000213500000000, 0.0000044300000000, -0.0000916500000000 ] - [ -0.0003315400000000, -0.0005198600000000, 0.0009252300000000 ] - [ 0.0013038600000000, -0.0010119300000000, 0.0006551900000000 ] - [ 0.0005328000000000, -0.0004999900000000, -0.0001442700000000 ] - [ 0.0004235100000000, -0.0004904000000000, -0.0000386500000000 ] - [ -0.0010789700000000, 0.0032382300000000, -0.0017281200000000 ] - [ 0.0023633800000000, -0.0000540200000000, -0.0005029400000000 ] - [ 0.0000935700000000, 0.0002658600000000, -0.0000853900000000 ] - [ -0.0000552700000000, 0.0003834400000000, 0.0000092800000000 ] - [ -0.0019835400000000, -0.0036281400000000, -0.0017252500000000 ] - [ 0.0003394200000000, -0.0010967900000000, -0.0001718900000000 ] - [ -0.0000930900000000, -0.0001739900000000, 0.0002717000000000 ] - [ -0.0001247000000000, -0.0002612900000000, 0.0003282000000000 ] - [ -0.0003150000000000, -0.0007208500000000, 0.0003909900000000 ] - [ -0.0002926700000000, 0.0000734900000000, 0.0008206300000000 ] - [ -0.0000760400000000, 0.0003854400000000, 0.0005506800000000 ] - [ 0.0000223000000000, 0.0004064800000000, 0.0005871500000000 ] - [ 0.0055189800000000, -0.0098970700000000, 0.0001856100000000 ] - [ 0.0000988600000000, -0.0000384200000000, 0.0004739900000000 ] - [ 0.0002248700000000, 0.0003581700000000, 0.0003356100000000 ] - [ 0.0000926700000000, 0.0005289000000000, 0.0002042700000000 ] - [ 0.0000179500000000, -0.0024772800000000, -0.0000351000000000 ] - [ 0.0014904400000000, -0.0032808700000000, 0.0002791600000000 ] - [ -0.0000443100000000, -0.0007007900000000, -0.0004153700000000 ] - [ -0.0001184100000000, -0.0005731200000000, -0.0003506900000000 ] - [ -0.0002641600000000, -0.0007950300000000, -0.0004917300000000 ] - [ 0.0003870400000000, -0.0005873300000000, -0.0004141700000000 ] - [ 0.0004393600000000, -0.0007919900000000, -0.0013059500000000 ] - [ 0.0002404600000000, -0.0005880100000000, -0.0007057100000000 ] - [ -0.0107353700000000, 0.0072290000000000, 0.0080991200000000 ] - [ 0.0033435500000000, 0.0032360800000000, 0.0004963400000000 ] - [ 0.0000710100000000, 0.0002895700000000, -0.0003481900000000 ] - [ 0.0001714100000000, 0.0003002700000000, -0.0002117800000000 ] - [ 0.0136562700000000, -0.0029500800000000, -0.0051884700000000 ] - [ -0.0019288700000000, 0.0013682000000000, -0.0003362700000000 ] - [ -0.0001996500000000, 0.0000380000000000, -0.0002351300000000 ] - [ -0.0001142700000000, -0.0000406500000000, -0.0000584500000000 ] - [ -0.0016902000000000, 0.0019360500000000, -0.0019443700000000 ] - [ -0.0005645700000000, 0.0007352500000000, -0.0000979800000000 ] - [ -0.0003758600000000, 0.0010152100000000, -0.0005625000000000 ] - [ -0.0004887800000000, 0.0006882000000000, -0.0000312800000000 ] - [ 0.0003531900000000, -0.0008300800000000, -0.0008269900000000 ] - [ -0.0010038600000000, -0.0010588200000000, -0.0008243300000000 ] - [ -0.0001305400000000, -0.0004876400000000, -0.0002500500000000 ] - [ 0.0000096700000000, -0.0002873500000000, -0.0001966700000000 ] - [ 0.0002218200000000, -0.0005391300000000, 0.0004996400000000 ] - [ 0.0003217200000000, -0.0010685700000000, 0.0008256100000000 ] - [ -0.0001199900000000, -0.0001090800000000, 0.0001302800000000 ] - [ -0.0000274600000000, 0.0000304700000000, 0.0002269200000000 ] - [ -0.0019681900000000, -0.0004470100000000, -0.0002741900000000 ] - [ -0.0022767100000000, -0.0001211500000000, 0.0003187500000000 ] - [ -0.0023542100000000, 0.0000395100000000, 0.0006693400000000 ] - [ -0.0022553100000000, 0.0001217700000000, 0.0005637700000000 ] - [ -0.0015921900000000, 0.0023032600000000, 0.0062504100000000 ] - [ 0.0020880400000000, 0.0006074500000000, -0.0001188900000000 ] - [ 0.0021188700000000, 0.0006879200000000, -0.0013147300000000 ] - [ 0.0019571000000000, 0.0005026400000000, -0.0002727400000000 ] - [ -0.0002868300000000, -0.0016651800000000, 0.0002375800000000 ] - [ 0.0008555600000000, 0.0001186400000000, 0.0000178800000000 ] - [ 0.0003927300000000, 0.0003644100000000, 0.0000298800000000 ] - [ 0.0002869400000000, 0.0003410500000000, -0.0000107900000000 ] - [ -0.0021887200000000, -0.0067231400000000, -0.0036885200000000 ] - [ 0.0020244900000000, -0.0014308700000000, -0.0004311200000000 ] - [ 0.0000431400000000, -0.0005205000000000, 0.0005848000000000 ] - [ -0.0000078400000000, -0.0005519300000000, 0.0007037200000000 ] - [ 0.0005939700000000, 0.0006456600000000, 0.0001988800000000 ] - [ 0.0003685600000000, -0.0001429900000000, 0.0001967500000000 ] - [ 0.0005090700000000, 0.0003453500000000, 0.0004974700000000 ] - [ 0.0002101500000000, 0.0006014500000000, 0.0008243100000000 ]- atom: 53 displacement: [ -0.0045611250918810, 0.0000000000000000, 0.0088992211960493 ] forces: - [ 0.0012044600000000, 0.0003285800000000, -0.0020038900000000 ] - [ -0.0007861500000000, -0.0000971900000000, 0.0012525700000000 ] - [ -0.0009706200000000, 0.0006857200000000, -0.0054495600000000 ] - [ 0.0005959600000000, 0.0002052600000000, 0.0003077800000000 ] - [ -0.0005518900000000, -0.0012894300000000, 0.0016295400000000 ] - [ 0.0001513100000000, -0.0002348200000000, -0.0003358900000000 ] - [ 0.0000960700000000, 0.0001016100000000, -0.0004649100000000 ] - [ -0.0002040500000000, -0.0000889600000000, -0.0009261600000000 ] - [ -0.0036971200000000, 0.0042256600000000, 0.0014697600000000 ] - [ 0.0034535900000000, -0.0000379600000000, 0.0002046600000000 ] - [ 0.0002601100000000, -0.0000294100000000, -0.0003464700000000 ] - [ -0.0001699900000000, 0.0000352200000000, -0.0000817100000000 ] - [ 0.0011987900000000, 0.0001930600000000, -0.0003598700000000 ] - [ -0.0023722800000000, -0.0002280400000000, 0.0035508700000000 ] - [ -0.0004037700000000, -0.0006541000000000, -0.0007898900000000 ] - [ 0.0002981100000000, -0.0000700800000000, -0.0008209400000000 ] - [ 0.0015852900000000, 0.0030340200000000, -0.0013415400000000 ] - [ 0.0021112600000000, -0.0003826700000000, 0.0004891400000000 ] - [ 0.0010528400000000, -0.0008559800000000, -0.0017720800000000 ] - [ 0.0011063000000000, -0.0000281600000000, -0.0007486200000000 ] - [ 0.0073589000000000, -0.0224760500000000, 0.0077784200000000 ] - [ 0.0049019300000000, 0.0007089600000000, 0.0018660500000000 ] - [ -0.0004690900000000, -0.0002518500000000, -0.0012306000000000 ] - [ -0.0015104800000000, 0.0002138000000000, 0.0001104300000000 ] - [ -0.0007235800000000, 0.0066314900000000, 0.0108469900000000 ] - [ 0.0076500200000000, -0.0063320900000000, 0.0033082900000000 ] - [ 0.0008415400000000, 0.0004872900000000, -0.0006742200000000 ] - [ 0.0000271400000000, 0.0005520100000000, -0.0006820000000000 ] - [ 0.0000411500000000, 0.0009785600000000, -0.0009235800000000 ] - [ -0.0005987800000000, 0.0007986000000000, 0.0004320200000000 ] - [ -0.0023880600000000, -0.0032413000000000, -0.0033456000000000 ] - [ 0.0006802600000000, 0.0008672700000000, 0.0011520600000000 ] - [ 0.0023114700000000, -0.0010700300000000, -0.0010021400000000 ] - [ -0.0007323200000000, -0.0008319700000000, 0.0002700000000000 ] - [ -0.0002527100000000, -0.0000269200000000, 0.0001015400000000 ] - [ 0.0013516100000000, -0.0001959200000000, -0.0000373300000000 ] - [ -0.1579384100000000, 0.0231675300000000, 0.1269100000000000 ] - [ 0.0041188300000000, 0.0003761400000000, 0.0010308200000000 ] - [ -0.0004574600000000, 0.0001147100000000, -0.0014056300000000 ] - [ -0.0010432900000000, -0.0003338100000000, -0.0005203500000000 ] - [ -0.0015244400000000, -0.0018048800000000, 0.0003011300000000 ] - [ 0.0048276700000000, -0.0023191700000000, -0.0003076600000000 ] - [ 0.0016664800000000, -0.0001412800000000, -0.0018576100000000 ] - [ 0.0007677800000000, 0.0000924000000000, -0.0008236300000000 ] - [ -0.0029989800000000, 0.0000872000000000, -0.0022020600000000 ] - [ 0.0001395900000000, 0.0004982300000000, 0.0004361400000000 ] - [ 0.0019715600000000, 0.0004340300000000, -0.0020747400000000 ] - [ -0.0031824400000000, -0.0006717800000000, 0.0016304500000000 ] - [ 0.0006544300000000, -0.0032119800000000, 0.0017696000000000 ] - [ -0.0010290200000000, 0.0000185000000000, -0.0005370200000000 ] - [ -0.0001561300000000, 0.0011519800000000, 0.0003425500000000 ] - [ 0.0002557200000000, 0.0007358400000000, -0.0004315100000000 ] - [ 0.1608170700000000, -0.0144909900000000, -0.1371913500000000 ] - [ -0.0028508700000000, 0.0008826700000000, -0.0003079300000000 ] - [ -0.0003904800000000, 0.0007200300000000, -0.0001266100000000 ] - [ 0.0002949200000000, 0.0005780900000000, -0.0005422100000000 ] - [ 0.0043329800000000, 0.0024836700000000, -0.0007859100000000 ] - [ -0.0021508900000000, -0.0012153600000000, -0.0005900600000000 ] - [ -0.0010103900000000, -0.0006284100000000, 0.0004548300000000 ] - [ -0.0003344500000000, -0.0004642800000000, 0.0000768600000000 ] - [ -0.0008242800000000, -0.0013017300000000, -0.0004394700000000 ] - [ -0.0029473400000000, 0.0005535600000000, -0.0009096700000000 ] - [ -0.0022296900000000, -0.0003015300000000, 0.0012396000000000 ] - [ -0.0020028900000000, -0.0004330700000000, 0.0007258800000000 ] - [ -0.0034521000000000, 0.0055631400000000, 0.0034156500000000 ] - [ 0.0010758100000000, -0.0009048300000000, -0.0019954800000000 ] - [ 0.0015047600000000, -0.0005197400000000, 0.0016996200000000 ] - [ 0.0020404700000000, -0.0003597100000000, -0.0000145500000000 ] - [ -0.0002814200000000, -0.0006549800000000, 0.0001240600000000 ] - [ 0.0008636600000000, -0.0007064700000000, -0.0005297600000000 ] - [ 0.0007533900000000, 0.0007921000000000, 0.0008753100000000 ] - [ -0.0005090300000000, 0.0000516000000000, -0.0004290600000000 ] - [ -0.0004597300000000, -0.0001088200000000, 0.0001522400000000 ] - [ -0.0000096900000000, -0.0000002400000000, -0.0009012200000000 ] - [ 0.0007484000000000, 0.0011036500000000, 0.0012317800000000 ] - [ -0.0005433800000000, -0.0000171100000000, -0.0001596600000000 ] - [ 0.0000990000000000, -0.0011919600000000, 0.0006506200000000 ] - [ -0.0004781700000000, 0.0002027900000000, -0.0008855100000000 ] - [ 0.0003459600000000, -0.0001743200000000, 0.0003738700000000 ] - [ 0.0004379100000000, -0.0004811900000000, 0.0001835000000000 ] - [ -0.0000544900000000, 0.0002471100000000, -0.0020172400000000 ] - [ -0.0078839000000000, 0.0041975400000000, -0.0013719700000000 ] - [ -0.0000110400000000, 0.0000807900000000, 0.0002015100000000 ] - [ 0.0002620600000000, -0.0000828800000000, 0.0007197100000000 ] - [ -0.0008041800000000, -0.0032903100000000, -0.0028634400000000 ] - [ -0.0001391600000000, 0.0017205500000000, 0.0006282600000000 ] - [ -0.0001575800000000, -0.0002174000000000, 0.0003379500000000 ] - [ -0.0000092200000000, -0.0001402800000000, 0.0005426000000000 ] - [ -0.0011305800000000, 0.0005085200000000, 0.0013054000000000 ] - [ 0.0006003100000000, 0.0008870100000000, 0.0001853500000000 ] - [ 0.0003113500000000, 0.0005482200000000, 0.0006410400000000 ] - [ -0.0002685500000000, 0.0005335900000000, 0.0007661900000000 ] - [ -0.0047946900000000, 0.0093435100000000, 0.0004371400000000 ] - [ -0.0012114900000000, -0.0005655500000000, 0.0003343700000000 ] - [ 0.0002892200000000, 0.0002582500000000, 0.0006344100000000 ] - [ 0.0003040400000000, 0.0002646500000000, 0.0006670700000000 ] - [ 0.0006535200000000, -0.0003794100000000, -0.0005662300000000 ] - [ -0.0023820100000000, 0.0014976900000000, -0.0007696400000000 ] - [ -0.0001672000000000, -0.0005425300000000, -0.0000344000000000 ] - [ -0.0000069000000000, -0.0006171000000000, -0.0002612900000000 ] - [ -0.0004681000000000, -0.0013854700000000, -0.0000940100000000 ] - [ -0.0002205400000000, -0.0007603100000000, -0.0008126400000000 ] - [ -0.0002140300000000, -0.0003400000000000, 0.0000368800000000 ] - [ -0.0000183100000000, -0.0005667400000000, -0.0007097000000000 ] - [ -0.0036875500000000, -0.0086742200000000, -0.0062200400000000 ] - [ -0.0023255800000000, -0.0014668500000000, -0.0009610700000000 ] - [ 0.0000802300000000, 0.0002303700000000, -0.0000086700000000 ] - [ 0.0002721200000000, 0.0003435000000000, 0.0000105400000000 ] - [ -0.0000166700000000, 0.0045715900000000, -0.0099221700000000 ] - [ -0.0017342300000000, 0.0003793200000000, -0.0004960200000000 ] - [ -0.0001096100000000, -0.0002953000000000, 0.0005497100000000 ] - [ 0.0000101200000000, -0.0001793100000000, 0.0004375500000000 ] - [ 0.0005766200000000, -0.0012927200000000, 0.0031441300000000 ] - [ -0.0010896900000000, 0.0007203600000000, -0.0002082800000000 ] - [ -0.0018743700000000, 0.0008795400000000, 0.0011164900000000 ] - [ 0.0000618000000000, 0.0003313400000000, -0.0001549500000000 ] - [ -0.0009262900000000, -0.0000230500000000, 0.0002777000000000 ] - [ 0.0011973500000000, -0.0000597900000000, -0.0002918200000000 ] - [ 0.0003622900000000, -0.0002830700000000, 0.0000877800000000 ] - [ -0.0002317300000000, -0.0002572300000000, 0.0001428800000000 ] - [ -0.0009793200000000, 0.0007176500000000, 0.0001299600000000 ] - [ 0.0006117600000000, 0.0003402800000000, -0.0000720900000000 ] - [ 0.0001462600000000, 0.0000847500000000, 0.0003553600000000 ] - [ -0.0003154000000000, 0.0003124000000000, 0.0003737100000000 ] - [ -0.0016968700000000, 0.0006321000000000, 0.0000367200000000 ] - [ -0.0027037800000000, 0.0004882500000000, 0.0001044300000000 ] - [ -0.0022995600000000, 0.0003806200000000, 0.0013500800000000 ] - [ -0.0018445500000000, 0.0004869300000000, 0.0001930000000000 ] - [ 0.0034787400000000, -0.0030869100000000, 0.0071242000000000 ] - [ 0.0012225100000000, 0.0004688200000000, -0.0002128800000000 ] - [ 0.0016423200000000, 0.0001561600000000, 0.0015355400000000 ] - [ 0.0023078900000000, 0.0003282200000000, -0.0001692100000000 ] - [ 0.0020287000000000, 0.0015367000000000, -0.0003825400000000 ] - [ -0.0007101100000000, 0.0003925100000000, -0.0000266100000000 ] - [ 0.0001385200000000, 0.0004113600000000, 0.0003464000000000 ] - [ 0.0008387800000000, 0.0006320000000000, 0.0001722100000000 ] - [ 0.0046657900000000, 0.0022322300000000, -0.0004553800000000 ] - [ -0.0036219400000000, 0.0012827200000000, 0.0012168800000000 ] - [ -0.0003484000000000, -0.0005219800000000, 0.0009245200000000 ] - [ 0.0003084900000000, -0.0006525500000000, 0.0007237900000000 ] - [ 0.0017527900000000, 0.0007077100000000, 0.0004767300000000 ] - [ -0.0005720200000000, -0.0008437000000000, 0.0007881900000000 ] - [ -0.0006724900000000, -0.0010063700000000, 0.0004441700000000 ] - [ 0.0022199100000000, -0.0003982100000000, 0.0004928400000000 ]- atom: 53 displacement: [ 0.0045611250918810, 0.0000000000000000, -0.0088992211960493 ] forces: - [ -0.0011206100000000, -0.0003032600000000, 0.0024611500000000 ] - [ 0.0008813300000000, 0.0001286400000000, -0.0008246500000000 ] - [ 0.0010609100000000, -0.0006521600000000, 0.0058708800000000 ] - [ -0.0005053000000000, -0.0001774200000000, 0.0001340500000000 ] - [ 0.0004593700000000, 0.0013338300000000, -0.0020872000000000 ] - [ -0.0002440000000000, 0.0002651500000000, -0.0001040000000000 ] - [ -0.0001900100000000, -0.0000735300000000, 0.0000236200000000 ] - [ 0.0001114700000000, 0.0001178000000000, 0.0004869400000000 ] - [ 0.0038322700000000, -0.0042757700000000, -0.0010313600000000 ] - [ -0.0033874400000000, 0.0000119800000000, 0.0002429500000000 ] - [ -0.0001679900000000, 0.0000002700000000, 0.0007889900000000 ] - [ 0.0002641400000000, -0.0000646400000000, 0.0005235100000000 ] - [ -0.0012958100000000, -0.0002214200000000, -0.0000779200000000 ] - [ 0.0022997000000000, 0.0001962300000000, -0.0040169500000000 ] - [ 0.0003137500000000, 0.0006292200000000, 0.0003459500000000 ] - [ -0.0003936700000000, 0.0000416600000000, 0.0003808300000000 ] - [ 0.0006921500000000, -0.0030046700000000, -0.0001173200000000 ] - [ 0.0001585300000000, 0.0004155400000000, -0.0019654600000000 ] - [ 0.0012284300000000, 0.0008929400000000, 0.0003015900000000 ] - [ 0.0011702800000000, 0.0000553000000000, -0.0007293100000000 ] - [ -0.0097100800000000, 0.0224660600000000, -0.0061493100000000 ] - [ -0.0072331300000000, -0.0006860200000000, -0.0003901300000000 ] - [ -0.0018113900000000, 0.0002806300000000, 0.0027083800000000 ] - [ -0.0007669300000000, -0.0001852500000000, 0.0013620600000000 ] - [ 0.0017857900000000, -0.0060644100000000, -0.0107718700000000 ] - [ -0.0065575000000000, 0.0070355800000000, -0.0032730500000000 ] - [ 0.0003173800000000, 0.0001644400000000, 0.0007170000000000 ] - [ 0.0011339500000000, 0.0001004600000000, 0.0007231000000000 ] - [ -0.0012047300000000, -0.0003314900000000, 0.0008857100000000 ] - [ -0.0005628100000000, -0.0001517600000000, -0.0004804400000000 ] - [ 0.0012357900000000, 0.0038957000000000, 0.0033267400000000 ] - [ -0.0018480900000000, -0.0002206000000000, -0.0011988700000000 ] - [ -0.0011585100000000, 0.0004215100000000, 0.0010497500000000 ] - [ 0.0018982700000000, 0.0001848300000000, -0.0002289000000000 ] - [ 0.0014181800000000, -0.0006290700000000, -0.0000653200000000 ] - [ -0.0001972300000000, -0.0004558800000000, 0.0000774400000000 ] - [ 0.1660313700000000, -0.0254080700000000, -0.1321773900000000 ] - [ -0.0053152000000000, -0.0010407500000000, -0.0010769800000000 ] - [ -0.0007040400000000, -0.0007665200000000, 0.0013662100000000 ] - [ -0.0001153200000000, -0.0003166200000000, 0.0004786500000000 ] - [ 0.0038425300000000, 0.0017732500000000, -0.0017756000000000 ] - [ -0.0025746800000000, 0.0023078200000000, -0.0011685600000000 ] - [ 0.0006104600000000, 0.0001122400000000, 0.0003878100000000 ] - [ 0.0015130800000000, -0.0001223500000000, -0.0006525400000000 ] - [ 0.0007237200000000, -0.0000967100000000, 0.0036845200000000 ] - [ -0.0024272300000000, -0.0005310600000000, 0.0010361300000000 ] - [ -0.0042563200000000, -0.0004657900000000, 0.0035555200000000 ] - [ 0.0009093200000000, 0.0006422600000000, -0.0001638400000000 ] - [ -0.0009455300000000, 0.0041393800000000, -0.0024704200000000 ] - [ 0.0007421300000000, 0.0009335800000000, -0.0001712300000000 ] - [ -0.0001363900000000, -0.0002069600000000, -0.0010549300000000 ] - [ -0.0005494100000000, 0.0002139800000000, -0.0002735600000000 ] - [ -0.1698871000000000, 0.0172397900000000, 0.1407760600000000 ] - [ 0.0029151800000000, 0.0002927600000000, -0.0009491200000000 ] - [ 0.0004353900000000, 0.0004557800000000, -0.0011279900000000 ] - [ -0.0002529000000000, 0.0005982800000000, -0.0007106200000000 ] - [ -0.0052786900000000, -0.0035147300000000, 0.0006792700000000 ] - [ 0.0012004000000000, 0.0002345300000000, 0.0004817200000000 ] - [ 0.0000490700000000, -0.0003561900000000, -0.0005662800000000 ] - [ -0.0006301600000000, -0.0005213200000000, -0.0001864700000000 ] - [ -0.0033400000000000, 0.0006408700000000, 0.0011602400000000 ] - [ -0.0012093400000000, -0.0012276400000000, 0.0016428000000000 ] - [ -0.0019323700000000, -0.0003691300000000, -0.0005104000000000 ] - [ -0.0021601500000000, -0.0002369400000000, 0.0000073800000000 ] - [ 0.0074992700000000, -0.0061402000000000, -0.0040857900000000 ] - [ 0.0030984300000000, 0.0002393400000000, 0.0012726300000000 ] - [ 0.0026610600000000, -0.0001484900000000, -0.0024365000000000 ] - [ 0.0021221900000000, -0.0003090700000000, -0.0007148100000000 ] - [ 0.0004943400000000, 0.0002480800000000, -0.0006587400000000 ] - [ -0.0006591800000000, 0.0002998800000000, -0.0000003000000000 ] - [ -0.0005460900000000, -0.0011922700000000, -0.0014078500000000 ] - [ 0.0007214800000000, -0.0004611800000000, -0.0001031100000000 ] - [ 0.0002990300000000, 0.0004066600000000, -0.0001108300000000 ] - [ -0.0001531300000000, 0.0002976300000000, 0.0009517200000000 ] - [ -0.0009149800000000, -0.0008102000000000, -0.0011958400000000 ] - [ 0.0003835300000000, 0.0003146100000000, 0.0002030300000000 ] - [ 0.0008641100000000, 0.0002062400000000, -0.0005462700000000 ] - [ 0.0014535200000000, -0.0011957000000000, 0.0010031900000000 ] - [ 0.0006169500000000, -0.0008133400000000, -0.0002643800000000 ] - [ 0.0005258300000000, -0.0005046800000000, -0.0000724200000000 ] - [ 0.0002337800000000, 0.0000643700000000, 0.0019825500000000 ] - [ 0.0081651400000000, -0.0039416500000000, 0.0013142800000000 ] - [ 0.0001743300000000, 0.0002142600000000, -0.0002429500000000 ] - [ -0.0000994100000000, 0.0003777300000000, -0.0007613900000000 ] - [ 0.0005859100000000, 0.0028744900000000, 0.0033919800000000 ] - [ -0.0000744200000000, -0.0021471200000000, -0.0000996100000000 ] - [ -0.0000530400000000, -0.0001932900000000, 0.0001950900000000 ] - [ -0.0002020200000000, -0.0002710700000000, -0.0000101600000000 ] - [ 0.0010904900000000, 0.0006656400000000, -0.0000578600000000 ] - [ -0.0006465600000000, 0.0002875700000000, 0.0010698800000000 ] - [ -0.0003579900000000, 0.0006279900000000, 0.0006135000000000 ] - [ 0.0002268900000000, 0.0006430200000000, 0.0004871100000000 ] - [ 0.0051041500000000, -0.0084643100000000, 0.0002796000000000 ] - [ 0.0015142700000000, 0.0015241900000000, 0.0003692800000000 ] - [ 0.0000026900000000, 0.0006924500000000, 0.0000731100000000 ] - [ -0.0000117300000000, 0.0006856800000000, 0.0000406000000000 ] - [ -0.0009560000000000, -0.0005665600000000, -0.0001407500000000 ] - [ 0.0021090100000000, -0.0024664900000000, 0.0000656200000000 ] - [ -0.0001252300000000, -0.0004071500000000, -0.0006745700000000 ] - [ -0.0002861200000000, -0.0003323600000000, -0.0004463800000000 ] - [ 0.0005134300000000, 0.0002138800000000, -0.0011617400000000 ] - [ 0.0002659200000000, -0.0004151700000000, -0.0004383400000000 ] - [ 0.0002591300000000, -0.0008350000000000, -0.0012913900000000 ] - [ 0.0000625800000000, -0.0006087500000000, -0.0005432100000000 ] - [ 0.0039071100000000, 0.0092482800000000, 0.0058089800000000 ] - [ 0.0025689300000000, 0.0018966900000000, 0.0004315900000000 ] - [ 0.0001309600000000, 0.0001804800000000, -0.0005244300000000 ] - [ -0.0000623000000000, 0.0000664600000000, -0.0005443700000000 ] - [ -0.0001713100000000, -0.0049592700000000, 0.0101562000000000 ] - [ 0.0015832000000000, -0.0006753200000000, 0.0005359000000000 ] - [ -0.0000526200000000, -0.0000002700000000, -0.0005083700000000 ] - [ -0.0001734600000000, -0.0001165400000000, -0.0003963600000000 ] - [ -0.0015442000000000, 0.0022822500000000, -0.0032797200000000 ] - [ 0.0001314800000000, 0.0002629400000000, 0.0001004300000000 ] - [ 0.0009082600000000, 0.0001091400000000, -0.0012280800000000 ] - [ -0.0010259100000000, 0.0006550300000000, 0.0000460500000000 ] - [ 0.0010938300000000, -0.0002743100000000, -0.0003239800000000 ] - [ -0.0010413600000000, -0.0002365700000000, 0.0002489200000000 ] - [ -0.0002012400000000, -0.0000112200000000, -0.0001279400000000 ] - [ 0.0003964900000000, -0.0000379400000000, -0.0001841400000000 ] - [ 0.0007733900000000, -0.0003113500000000, 0.0004027500000000 ] - [ -0.0008254100000000, 0.0000648200000000, 0.0006070200000000 ] - [ -0.0003582300000000, 0.0003255900000000, 0.0001783200000000 ] - [ 0.0001065700000000, 0.0000956100000000, 0.0001591400000000 ] - [ -0.0024723900000000, 0.0000365300000000, 0.0007000400000000 ] - [ -0.0014552100000000, 0.0001803800000000, 0.0006284900000000 ] - [ -0.0018618200000000, 0.0002886400000000, -0.0006234800000000 ] - [ -0.0023191800000000, 0.0001818000000000, 0.0005407400000000 ] - [ 0.0006843300000000, 0.0038279200000000, -0.0080049800000000 ] - [ 0.0029453700000000, 0.0001995100000000, -0.0005168800000000 ] - [ 0.0025206900000000, 0.0005143600000000, -0.0022685100000000 ] - [ 0.0018536900000000, 0.0003415900000000, -0.0005600400000000 ] - [ -0.0010784600000000, -0.0005576000000000, 0.0004959300000000 ] - [ 0.0016817400000000, 0.0005937200000000, 0.0001372200000000 ] - [ 0.0008265200000000, 0.0005747400000000, -0.0002372300000000 ] - [ 0.0001228000000000, 0.0003530600000000, -0.0000617400000000 ] - [ -0.0047204100000000, -0.0033851400000000, 0.0017269800000000 ] - [ 0.0036141100000000, -0.0024752300000000, 0.0000262500000000 ] - [ 0.0003059200000000, -0.0006549700000000, 0.0003281100000000 ] - [ -0.0003535000000000, -0.0005237400000000, 0.0005300800000000 ] - [ -0.0014725700000000, -0.0016676600000000, 0.0002358000000000 ] - [ 0.0008699300000000, -0.0001025300000000, -0.0000814000000000 ] - [ 0.0009662400000000, 0.0000568500000000, 0.0002626800000000 ] - [ -0.0019278600000000, -0.0005505800000000, 0.0002170700000000 ]- atom: 57 displacement: [ 0.0099996083916704, 0.0000000000000000, -0.0000884986623371 ] forces: - [ -0.0004329900000000, 0.0001670200000000, 0.0006589000000000 ] - [ 0.0005961000000000, -0.0002486800000000, -0.0004106800000000 ] - [ 0.0016477200000000, -0.0004376600000000, 0.0003694500000000 ] - [ -0.0008791800000000, -0.0001383600000000, 0.0003714900000000 ] - [ 0.0018610400000000, 0.0055912300000000, -0.0029801800000000 ] - [ -0.0020887700000000, -0.0005481600000000, 0.0004608300000000 ] - [ -0.0003225700000000, 0.0000594300000000, -0.0001179200000000 ] - [ 0.0002788100000000, 0.0001434500000000, -0.0000226400000000 ] - [ 0.0487147000000000, 0.0037300900000000, -0.0061235200000000 ] - [ -0.0069297000000000, 0.0004703000000000, 0.0022421600000000 ] - [ 0.0000449800000000, 0.0001411300000000, 0.0004782600000000 ] - [ 0.0000758300000000, 0.0000997000000000, 0.0002503100000000 ] - [ -0.0002663000000000, -0.0006131500000000, -0.0000082100000000 ] - [ 0.0000305000000000, -0.0004146400000000, -0.0008157000000000 ] - [ 0.0001463200000000, 0.0000954600000000, 0.0000166400000000 ] - [ -0.0002251300000000, -0.0001049700000000, -0.0001160800000000 ] - [ 0.0032880300000000, 0.0002006700000000, -0.0015336500000000 ] - [ -0.0007472200000000, -0.0011206100000000, -0.0005230000000000 ] - [ 0.0004157500000000, -0.0002604200000000, 0.0000998800000000 ] - [ 0.0016492200000000, 0.0001431200000000, -0.0011641700000000 ] - [ 0.2014500000000000, 0.1134340600000000, 0.0335082100000000 ] - [ -0.0069352800000000, 0.0019441900000000, 0.0001200700000000 ] - [ -0.0020788300000000, 0.0005019400000000, 0.0019832300000000 ] - [ -0.0006122900000000, -0.0000563100000000, 0.0004079400000000 ] - [ 0.0042656300000000, -0.0013983200000000, 0.0003140600000000 ] - [ -0.0021884400000000, 0.0004602600000000, -0.0000611400000000 ] - [ 0.0001248100000000, -0.0000409800000000, 0.0004187500000000 ] - [ 0.0012086400000000, 0.0000409500000000, -0.0000385000000000 ] - [ -0.0017353000000000, 0.0004816600000000, 0.0010693600000000 ] - [ -0.0003480400000000, 0.0002729200000000, -0.0015032500000000 ] - [ 0.0090668600000000, 0.0036293800000000, -0.0010422100000000 ] - [ -0.0031903600000000, 0.0006792800000000, -0.0004233800000000 ] - [ 0.0002926900000000, 0.0013042000000000, 0.0013881900000000 ] - [ -0.0014789100000000, -0.0040136600000000, -0.0022768300000000 ] - [ 0.0019401400000000, 0.0000764400000000, 0.0012435800000000 ] - [ -0.0003775300000000, -0.0005428100000000, -0.0003720300000000 ] - [ 0.0055876200000000, 0.0097083500000000, 0.0006933500000000 ] - [ -0.0044355000000000, -0.0046007100000000, -0.0013246300000000 ] - [ 0.0000359300000000, -0.0012595300000000, 0.0014590800000000 ] - [ -0.0005839700000000, -0.0002985900000000, -0.0001831300000000 ] - [ 0.0045080400000000, -0.0067248700000000, 0.0017965500000000 ] - [ -0.0013009300000000, 0.0017960900000000, -0.0016669000000000 ] - [ 0.0009590400000000, 0.0000218500000000, -0.0003121900000000 ] - [ 0.0012918000000000, -0.0001488300000000, -0.0017395800000000 ] - [ -0.0012393300000000, 0.0002616300000000, 0.0027395900000000 ] - [ -0.0019652700000000, -0.0002526700000000, 0.0002545300000000 ] - [ -0.0049033500000000, -0.0017179100000000, 0.0073603300000000 ] - [ -0.0015379000000000, 0.0002353900000000, -0.0007867900000000 ] - [ -0.0008345100000000, 0.0005665000000000, -0.0001213300000000 ] - [ 0.0006786700000000, 0.0012154600000000, -0.0003869100000000 ] - [ 0.0000818800000000, 0.0005708000000000, -0.0004976600000000 ] - [ -0.0004292200000000, 0.0004080600000000, -0.0002529200000000 ] - [ -0.0075727200000000, 0.0000719500000000, 0.0009154400000000 ] - [ 0.0028069900000000, 0.0003891800000000, -0.0010760900000000 ] - [ 0.0003142400000000, 0.0006575800000000, -0.0010754500000000 ] - [ -0.0001497200000000, 0.0006440400000000, -0.0005481900000000 ] - [ -0.2948410300000000, -0.1323747700000000, -0.0190189400000000 ] - [ 0.0020074000000000, 0.0000144400000000, 0.0001784500000000 ] - [ -0.0001785100000000, -0.0005407300000000, -0.0004202600000000 ] - [ -0.0007135900000000, -0.0005833000000000, 0.0000494100000000 ] - [ -0.0029917800000000, 0.0000912000000000, 0.0010196400000000 ] - [ -0.0015572500000000, -0.0003208800000000, 0.0000478900000000 ] - [ -0.0019533800000000, -0.0002620200000000, -0.0001509800000000 ] - [ -0.0022723200000000, -0.0002613000000000, 0.0006081500000000 ] - [ 0.0105209400000000, 0.0065822800000000, -0.0165796000000000 ] - [ 0.0030084600000000, -0.0002821400000000, 0.0002641400000000 ] - [ 0.0022796400000000, -0.0004821100000000, -0.0013917300000000 ] - [ 0.0020412700000000, -0.0002705800000000, -0.0000311000000000 ] - [ 0.0006122600000000, -0.0005438600000000, -0.0003856000000000 ] - [ -0.0003684100000000, 0.0000733600000000, 0.0002972000000000 ] - [ -0.0014011700000000, 0.0002017200000000, -0.0001791800000000 ] - [ 0.0013422700000000, -0.0009328100000000, -0.0000500200000000 ] - [ 0.0004680300000000, 0.0002596000000000, -0.0003876700000000 ] - [ -0.0006034300000000, -0.0002449900000000, 0.0012981200000000 ] - [ -0.0014336300000000, -0.0010483800000000, -0.0015847600000000 ] - [ 0.0005177200000000, 0.0002280600000000, 0.0000362600000000 ] - [ -0.0003761000000000, 0.0000106900000000, 0.0000767800000000 ] - [ 0.0011561500000000, -0.0005512800000000, 0.0000923400000000 ] - [ 0.0006807600000000, -0.0005022900000000, -0.0001964600000000 ] - [ 0.0002912500000000, -0.0004279000000000, 0.0001315500000000 ] - [ -0.0006569900000000, 0.0021864200000000, -0.0000683600000000 ] - [ 0.0010853200000000, -0.0006015900000000, -0.0002118800000000 ] - [ 0.0002820700000000, 0.0002467900000000, -0.0001714000000000 ] - [ -0.0003313600000000, 0.0004059900000000, -0.0002376000000000 ] - [ -0.0008774500000000, -0.0004688600000000, 0.0002028800000000 ] - [ 0.0009021200000000, 0.0007269200000000, 0.0004242100000000 ] - [ 0.0001429200000000, -0.0000054900000000, 0.0003241200000000 ] - [ -0.0002624300000000, -0.0002125800000000, 0.0002614800000000 ] - [ -0.0004001300000000, -0.0002347200000000, -0.0000109900000000 ] - [ 0.0019234600000000, 0.0014164400000000, 0.0005438200000000 ] - [ -0.0001059200000000, 0.0006428300000000, 0.0004269000000000 ] - [ 0.0001570200000000, 0.0005343200000000, 0.0006652700000000 ] - [ 0.0204212500000000, 0.0021813100000000, 0.0051822300000000 ] - [ 0.0036725300000000, -0.0007871600000000, 0.0001256100000000 ] - [ 0.0002779400000000, 0.0003274000000000, 0.0002771700000000 ] - [ 0.0000153300000000, 0.0004948800000000, 0.0003213300000000 ] - [ 0.0019741100000000, 0.0072261600000000, -0.0030666000000000 ] - [ 0.0027475300000000, -0.0042278200000000, 0.0003905300000000 ] - [ -0.0001726800000000, -0.0005058200000000, -0.0004517200000000 ] - [ 0.0000307100000000, -0.0006200400000000, -0.0002721700000000 ] - [ 0.0007048900000000, -0.0004817600000000, -0.0018502700000000 ] - [ 0.0002416100000000, -0.0005962600000000, 0.0000967000000000 ] - [ -0.0018056400000000, -0.0017808500000000, -0.0004156000000000 ] - [ 0.0011415000000000, -0.0006704900000000, -0.0007356600000000 ] - [ 0.0068527400000000, -0.0129701600000000, -0.0031279700000000 ] - [ 0.0050822700000000, 0.0046276000000000, 0.0009698600000000 ] - [ -0.0000452000000000, 0.0001551000000000, -0.0004428900000000 ] - [ 0.0001461400000000, 0.0002188700000000, -0.0002990000000000 ] - [ -0.0005076000000000, -0.0014345400000000, 0.0009798400000000 ] - [ -0.0002288600000000, 0.0008453500000000, -0.0002850700000000 ] - [ -0.0002688400000000, 0.0001363800000000, -0.0004041200000000 ] - [ -0.0000620000000000, -0.0001271300000000, -0.0000832100000000 ] - [ -0.0003101500000000, 0.0004437000000000, -0.0002846000000000 ] - [ -0.0002012500000000, 0.0004183600000000, 0.0002138600000000 ] - [ -0.0003145800000000, 0.0010779100000000, -0.0017832300000000 ] - [ -0.0002039500000000, 0.0003936300000000, 0.0001243100000000 ] - [ 0.0010379400000000, -0.0011364300000000, -0.0014806000000000 ] - [ 0.0051044700000000, 0.0053110100000000, 0.0101178600000000 ] - [ -0.0003817700000000, -0.0003968000000000, -0.0003040000000000 ] - [ 0.0004571900000000, -0.0000303500000000, -0.0000049500000000 ] - [ 0.0003066000000000, -0.0003500500000000, 0.0002490100000000 ] - [ -0.0008033800000000, 0.0017845000000000, 0.0002406300000000 ] - [ -0.0004167200000000, 0.0002977500000000, 0.0001012000000000 ] - [ 0.0001310500000000, 0.0001479300000000, 0.0003044200000000 ] - [ -0.0022630700000000, 0.0006054600000000, -0.0012666900000000 ] - [ -0.0019575700000000, 0.0002552800000000, 0.0012045300000000 ] - [ -0.0022513400000000, 0.0001320800000000, 0.0000273500000000 ] - [ -0.0013114900000000, 0.0011959500000000, 0.0015488500000000 ] - [ 0.0001285700000000, -0.0011682800000000, -0.0032115200000000 ] - [ 0.0027694900000000, 0.0001255000000000, -0.0000710300000000 ] - [ 0.0021339200000000, 0.0009652600000000, -0.0034359900000000 ] - [ 0.0019790100000000, 0.0003025000000000, 0.0001272200000000 ] - [ -0.0023384500000000, 0.0011035800000000, -0.0007520500000000 ] - [ 0.0018106300000000, 0.0008224200000000, 0.0001676600000000 ] - [ 0.0005981400000000, 0.0004673600000000, -0.0000990700000000 ] - [ 0.0002223800000000, 0.0005097700000000, 0.0005647700000000 ] - [ -0.0023980700000000, 0.0001907700000000, 0.0011602500000000 ] - [ 0.0018927100000000, -0.0009677900000000, 0.0002645800000000 ] - [ 0.0002951700000000, -0.0005024500000000, 0.0003979400000000 ] - [ -0.0003913300000000, -0.0003946500000000, 0.0008377400000000 ] - [ -0.0006285900000000, -0.0013043900000000, -0.0003451200000000 ] - [ 0.0005328500000000, -0.0002597500000000, 0.0003473900000000 ] - [ 0.0008541900000000, 0.0006316800000000, 0.0003312700000000 ] - [ 0.0000327500000000, -0.0004229100000000, 0.0008116400000000 ]- atom: 57 displacement: [ -0.0099996083916704, 0.0000000000000000, 0.0000884986623371 ] forces: - [ 0.0005329900000000, -0.0001371200000000, -0.0002086900000000 ] - [ -0.0005092200000000, 0.0002795900000000, 0.0008586200000000 ] - [ -0.0015556200000000, 0.0004609400000000, 0.0000825000000000 ] - [ 0.0009711100000000, 0.0001691400000000, 0.0000747700000000 ] - [ -0.0019875100000000, -0.0055761300000000, 0.0025253000000000 ] - [ 0.0019897100000000, 0.0005738800000000, -0.0009017900000000 ] - [ 0.0002275600000000, -0.0000291300000000, -0.0003303400000000 ] - [ -0.0003715800000000, -0.0001100900000000, -0.0004139600000000 ] - [ -0.0451211600000000, -0.0031479900000000, 0.0062528000000000 ] - [ 0.0070408100000000, -0.0004841100000000, -0.0018108300000000 ] - [ 0.0000486500000000, -0.0001713500000000, -0.0000279800000000 ] - [ 0.0000172500000000, -0.0001289600000000, 0.0001960300000000 ] - [ 0.0001700400000000, 0.0005839000000000, -0.0004408400000000 ] - [ -0.0001213900000000, 0.0003779800000000, 0.0003696600000000 ] - [ -0.0002395900000000, -0.0001312300000000, -0.0004666600000000 ] - [ 0.0001318100000000, 0.0000741800000000, -0.0003295300000000 ] - [ -0.0010000200000000, -0.0001630100000000, 0.0000645800000000 ] - [ 0.0030207700000000, 0.0011454000000000, -0.0009487300000000 ] - [ 0.0018665900000000, 0.0002913400000000, -0.0015674500000000 ] - [ 0.0006280800000000, -0.0001141900000000, -0.0003038000000000 ] - [ -0.2122624600000000, -0.1206757700000000, -0.0339836800000000 ] - [ 0.0046330500000000, -0.0018965400000000, 0.0013435100000000 ] - [ -0.0002035900000000, -0.0004687100000000, -0.0005168100000000 ] - [ -0.0016665700000000, 0.0000869200000000, 0.0010651800000000 ] - [ -0.0031174500000000, 0.0020409900000000, -0.0002703500000000 ] - [ 0.0033515000000000, 0.0001900300000000, 0.0001042300000000 ] - [ 0.0010326400000000, 0.0006924600000000, -0.0003742500000000 ] - [ -0.0000478900000000, 0.0006112000000000, 0.0000840500000000 ] - [ 0.0005806600000000, 0.0001744600000000, -0.0011091800000000 ] - [ -0.0008164200000000, 0.0003848700000000, 0.0014652700000000 ] - [ -0.0101938100000000, -0.0029896700000000, 0.0010515900000000 ] - [ 0.0020233500000000, -0.0000286100000000, 0.0003716500000000 ] - [ 0.0008437500000000, -0.0019596300000000, -0.0013441800000000 ] - [ 0.0026518200000000, 0.0033576900000000, 0.0023233800000000 ] - [ -0.0007796300000000, -0.0007258800000000, -0.0011977700000000 ] - [ 0.0015367700000000, -0.0001082400000000, 0.0004226000000000 ] - [ -0.0066354700000000, -0.0103485000000000, -0.0007494400000000 ] - [ 0.0032655600000000, 0.0039438100000000, 0.0012782400000000 ] - [ -0.0011948300000000, 0.0006068000000000, -0.0015040600000000 ] - [ -0.0005751000000000, -0.0003537300000000, 0.0001362400000000 ] - [ -0.0021737000000000, 0.0066519200000000, -0.0032426000000000 ] - [ 0.0035831700000000, -0.0018349900000000, 0.0002030900000000 ] - [ 0.0013198700000000, -0.0000527200000000, -0.0011558200000000 ] - [ 0.0009919300000000, 0.0001158100000000, 0.0002630500000000 ] - [ -0.0010258200000000, -0.0002831500000000, -0.0013073400000000 ] - [ -0.0003167600000000, 0.0002212900000000, 0.0012206100000000 ] - [ 0.0026283700000000, 0.0016789100000000, -0.0059197900000000 ] - [ -0.0007334300000000, -0.0002618300000000, 0.0022480600000000 ] - [ 0.0005435200000000, 0.0003858200000000, -0.0005879000000000 ] - [ -0.0009637100000000, -0.0002610200000000, -0.0003203100000000 ] - [ -0.0003714200000000, 0.0003808600000000, -0.0002104300000000 ] - [ 0.0001433000000000, 0.0005459900000000, -0.0004537600000000 ] - [ 0.0075804500000000, 0.0011949900000000, -0.0021326200000000 ] - [ -0.0027645700000000, 0.0007833600000000, -0.0001754000000000 ] - [ -0.0002754500000000, 0.0005191300000000, -0.0001757100000000 ] - [ 0.0001889300000000, 0.0005325000000000, -0.0007030600000000 ] - [ 0.2993291400000000, 0.1381895400000000, 0.0210695000000000 ] - [ -0.0029577700000000, -0.0010001100000000, -0.0002845800000000 ] - [ -0.0007787800000000, -0.0004455400000000, 0.0003110400000000 ] - [ -0.0002438700000000, -0.0004024700000000, -0.0001589800000000 ] - [ -0.0011713700000000, -0.0007640100000000, -0.0002914400000000 ] - [ -0.0026023600000000, -0.0003506000000000, 0.0006812100000000 ] - [ -0.0022072400000000, -0.0004105500000000, 0.0008785000000000 ] - [ -0.0018886800000000, -0.0004106100000000, 0.0001199500000000 ] - [ -0.0064336800000000, -0.0073773500000000, 0.0159744500000000 ] - [ 0.0011531300000000, -0.0003913100000000, -0.0009835500000000 ] - [ 0.0018773300000000, -0.0001925600000000, 0.0006686300000000 ] - [ 0.0021191100000000, -0.0004019100000000, -0.0006987300000000 ] - [ -0.0004021500000000, 0.0001294300000000, -0.0001474600000000 ] - [ 0.0005859000000000, -0.0004910000000000, -0.0008275300000000 ] - [ 0.0016056600000000, -0.0006004900000000, -0.0003566300000000 ] - [ -0.0011289600000000, 0.0005179500000000, -0.0004800600000000 ] - [ -0.0006327500000000, 0.0000389000000000, 0.0004255300000000 ] - [ 0.0004428000000000, 0.0005459600000000, -0.0012604100000000 ] - [ 0.0012508900000000, 0.0013295700000000, 0.0015904500000000 ] - [ -0.0006780700000000, 0.0000747600000000, 0.0000102800000000 ] - [ 0.0013329600000000, -0.0009967800000000, 0.0000323600000000 ] - [ -0.0001997600000000, -0.0004329000000000, 0.0000171100000000 ] - [ 0.0002745400000000, -0.0004816300000000, 0.0003057600000000 ] - [ 0.0006659400000000, -0.0005577500000000, -0.0000225400000000 ] - [ 0.0008224800000000, -0.0018835100000000, 0.0000214000000000 ] - [ -0.0009255300000000, 0.0009014700000000, 0.0001643000000000 ] - [ -0.0001181100000000, 0.0000529100000000, 0.0001291800000000 ] - [ 0.0004948700000000, -0.0001055500000000, 0.0001937400000000 ] - [ 0.0006692200000000, 0.0000614000000000, 0.0003317500000000 ] - [ -0.0011139200000000, -0.0011369200000000, 0.0001083500000000 ] - [ -0.0003542300000000, -0.0004079700000000, 0.0002090200000000 ] - [ 0.0000496900000000, -0.0002037400000000, 0.0002698000000000 ] - [ 0.0003772000000000, 0.0014051900000000, 0.0012582200000000 ] - [ -0.0019495000000000, -0.0002313200000000, 0.0007095300000000 ] - [ 0.0000657000000000, 0.0005335000000000, 0.0008245100000000 ] - [ -0.0001952800000000, 0.0006427300000000, 0.0005850200000000 ] - [ -0.0206682800000000, -0.0013071000000000, -0.0046313500000000 ] - [ -0.0033615700000000, 0.0017291500000000, 0.0005793400000000 ] - [ 0.0000108800000000, 0.0006225600000000, 0.0004314400000000 ] - [ 0.0002715400000000, 0.0004586900000000, 0.0003835200000000 ] - [ -0.0022429200000000, -0.0081083400000000, 0.0023295800000000 ] - [ -0.0030487900000000, 0.0033008500000000, -0.0011005700000000 ] - [ -0.0001138900000000, -0.0004468500000000, -0.0002574600000000 ] - [ -0.0003187400000000, -0.0003318700000000, -0.0004342600000000 ] - [ -0.0006712600000000, -0.0006997200000000, 0.0005954100000000 ] - [ -0.0002011600000000, -0.0005808300000000, -0.0013531600000000 ] - [ 0.0018673000000000, 0.0006189500000000, -0.0008502900000000 ] - [ -0.0010996600000000, -0.0005076900000000, -0.0005140300000000 ] - [ -0.0065782200000000, 0.0132573800000000, 0.0025710500000000 ] - [ -0.0048808200000000, -0.0042208900000000, -0.0014981500000000 ] - [ 0.0002573900000000, 0.0002597000000000, -0.0000896100000000 ] - [ 0.0000658600000000, 0.0001952800000000, -0.0002321100000000 ] - [ 0.0003306300000000, 0.0011298200000000, -0.0009379000000000 ] - [ 0.0000698300000000, -0.0011484900000000, 0.0003301100000000 ] - [ 0.0001050400000000, -0.0004362200000000, 0.0004470900000000 ] - [ -0.0001017700000000, -0.0001724600000000, 0.0001280900000000 ] - [ -0.0006621200000000, 0.0005462200000000, 0.0001801600000000 ] - [ -0.0007532900000000, 0.0005659200000000, -0.0003239600000000 ] - [ -0.0006401000000000, -0.0000963600000000, 0.0016841600000000 ] - [ -0.0007543800000000, 0.0005918500000000, -0.0002321900000000 ] - [ -0.0008710300000000, 0.0008402700000000, 0.0014472100000000 ] - [ -0.0048957600000000, -0.0055864500000000, -0.0100721900000000 ] - [ 0.0005458600000000, 0.0000943700000000, 0.0002604200000000 ] - [ -0.0002936900000000, -0.0002707800000000, -0.0000405500000000 ] - [ -0.0005128400000000, 0.0007592200000000, 0.0002846800000000 ] - [ 0.0005823400000000, -0.0013566400000000, 0.0002889600000000 ] - [ 0.0002050500000000, 0.0001150800000000, 0.0004307000000000 ] - [ -0.0003427900000000, 0.0002653800000000, 0.0002267800000000 ] - [ -0.0019034800000000, 0.0000686200000000, 0.0019883000000000 ] - [ -0.0022013200000000, 0.0004181100000000, -0.0004853300000000 ] - [ -0.0019076400000000, 0.0005396300000000, 0.0006991500000000 ] - [ -0.0028433800000000, -0.0005174100000000, -0.0008113200000000 ] - [ 0.0040035800000000, 0.0018808600000000, 0.0025662200000000 ] - [ 0.0013917900000000, 0.0005461300000000, -0.0006602200000000 ] - [ 0.0020286500000000, -0.0002917600000000, 0.0027158700000000 ] - [ 0.0021794100000000, 0.0003697400000000, -0.0008527900000000 ] - [ 0.0032656500000000, -0.0001499600000000, 0.0008688800000000 ] - [ -0.0008565900000000, 0.0001636100000000, -0.0000599400000000 ] - [ 0.0003597200000000, 0.0005180800000000, 0.0002081700000000 ] - [ 0.0007293100000000, 0.0004739600000000, -0.0004522400000000 ] - [ 0.0023549900000000, -0.0013593500000000, 0.0000948800000000 ] - [ -0.0019355200000000, -0.0002044600000000, 0.0009877700000000 ] - [ -0.0003336600000000, -0.0006746000000000, 0.0008537500000000 ] - [ 0.0003502200000000, -0.0007812100000000, 0.0004148400000000 ] - [ 0.0009237600000000, 0.0003614400000000, 0.0010622600000000 ] - [ -0.0002453900000000, -0.0006924300000000, 0.0003599300000000 ] - [ -0.0005636700000000, -0.0015809000000000, 0.0003764500000000 ] - [ 0.0002505500000000, -0.0005287400000000, -0.0001031500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002945200000000, -0.0000257200000000, 0.0000500000000000 ] - [ -0.0001740900000000, -0.0000028300000000, -0.0003221600000000 ] - [ 0.0006265500000000, -0.0001384000000000, 0.0009194200000000 ] - [ -0.0002487300000000, -0.0000800300000000, 0.0003771200000000 ] - [ 0.0032314000000000, -0.0003113300000000, 0.0003369000000000 ] - [ -0.0014726300000000, -0.0000517500000000, 0.0001479700000000 ] - [ -0.0001285400000000, 0.0000940300000000, -0.0002158700000000 ] - [ 0.0000774600000000, -0.0000002900000000, -0.0005027300000000 ] - [ 0.0023395600000000, 0.0023258900000000, -0.0007614300000000 ] - [ -0.0005829300000000, 0.0008935500000000, 0.0001807900000000 ] - [ 0.0001304600000000, 0.0001191500000000, 0.0001792000000000 ] - [ -0.0000166700000000, 0.0001563100000000, 0.0002650500000000 ] - [ -0.0000579800000000, -0.0005268200000000, 0.0000503500000000 ] - [ -0.0000355900000000, -0.0008479500000000, 0.0003673500000000 ] - [ 0.0000779400000000, -0.0005527700000000, -0.0003278200000000 ] - [ -0.0001117700000000, -0.0001301500000000, -0.0002661500000000 ] - [ 0.0017358000000000, -0.0015030800000000, -0.0016829800000000 ] - [ 0.0004598200000000, -0.0008619600000000, -0.0004374500000000 ] - [ 0.0005049200000000, -0.0006356300000000, -0.0001402900000000 ] - [ 0.0012798300000000, -0.0002591400000000, -0.0010129900000000 ] - [ 0.1254360600000000, 0.1183220800000000, 0.0250357000000000 ] - [ -0.0018295600000000, 0.0016651400000000, 0.0006762800000000 ] - [ -0.0014895900000000, 0.0003146000000000, 0.0007994300000000 ] - [ -0.0010715300000000, 0.0001802500000000, 0.0005405000000000 ] - [ 0.0012372200000000, -0.0032133300000000, 0.0000929100000000 ] - [ 0.0006169800000000, -0.0012392600000000, 0.0000003200000000 ] - [ 0.0005224200000000, -0.0000127900000000, 0.0001557300000000 ] - [ 0.0007561700000000, 0.0000856400000000, -0.0000732000000000 ] - [ -0.0008628200000000, 0.0008791300000000, 0.0003060400000000 ] - [ -0.0002951900000000, 0.0011330600000000, -0.0000757000000000 ] - [ 0.0031515500000000, 0.0049484700000000, -0.0024807100000000 ] - [ -0.0012771600000000, 0.0010461800000000, 0.0001397600000000 ] - [ 0.0015471000000000, 0.0002164500000000, 0.0001536100000000 ] - [ -0.0010327400000000, -0.0023576700000000, -0.0010416900000000 ] - [ 0.0010428900000000, 0.0002910700000000, 0.0017916600000000 ] - [ 0.0003492300000000, -0.0003335300000000, -0.0000901700000000 ] - [ 0.0051394800000000, -0.0025448400000000, -0.0029651900000000 ] - [ -0.0025288100000000, -0.0029952000000000, -0.0008858800000000 ] - [ -0.0002103800000000, -0.0007600400000000, 0.0005139000000000 ] - [ -0.0006383300000000, -0.0004102800000000, -0.0001371600000000 ] - [ -0.0004329800000000, -0.0077536200000000, 0.0010175000000000 ] - [ 0.0008343400000000, -0.0001099000000000, -0.0007898500000000 ] - [ 0.0011609900000000, -0.0000911800000000, -0.0007997500000000 ] - [ 0.0011586500000000, -0.0001699500000000, -0.0012766500000000 ] - [ -0.0003078300000000, 0.0009724600000000, -0.0009164300000000 ] - [ -0.0012194000000000, 0.0001587900000000, 0.0002486100000000 ] - [ -0.0021644200000000, -0.0002989400000000, 0.0038316400000000 ] - [ -0.0011498800000000, 0.0005999200000000, 0.0008456100000000 ] - [ -0.0000769700000000, 0.0012694800000000, -0.0004321200000000 ] - [ 0.0001214400000000, 0.0009137900000000, -0.0004228800000000 ] - [ -0.0000057800000000, 0.0008266500000000, -0.0002705200000000 ] - [ -0.0000741900000000, 0.0007833400000000, -0.0001857000000000 ] - [ -0.0015926400000000, 0.0077010600000000, 0.0018960200000000 ] - [ 0.0011963700000000, 0.0006976700000000, -0.0008330000000000 ] - [ 0.0000710500000000, 0.0006874000000000, -0.0007510500000000 ] - [ 0.0000468000000000, 0.0006017800000000, -0.0005787900000000 ] - [ -0.1334623400000000, -0.1226347700000000, -0.0198875600000000 ] - [ 0.0000307000000000, -0.0007462100000000, -0.0001320800000000 ] - [ -0.0005232400000000, -0.0006212100000000, -0.0001037500000000 ] - [ -0.0005659000000000, -0.0005863100000000, -0.0000332600000000 ] - [ -0.0027006400000000, 0.0009462700000000, 0.0007899600000000 ] - [ -0.0020081600000000, -0.0001001200000000, 0.0000303300000000 ] - [ -0.0020688400000000, -0.0002010200000000, 0.0001176000000000 ] - [ -0.0021851300000000, -0.0002622400000000, 0.0005854600000000 ] - [ 0.0057696900000000, -0.0019765200000000, -0.0081469300000000 ] - [ 0.0021266500000000, -0.0006227300000000, -0.0005399300000000 ] - [ 0.0019220300000000, -0.0005326800000000, -0.0001974200000000 ] - [ 0.0019915000000000, -0.0004180200000000, -0.0001902400000000 ] - [ 0.0002612500000000, -0.0005752400000000, -0.0001820800000000 ] - [ 0.0003113400000000, -0.0007602100000000, 0.0000901900000000 ] - [ 0.0001006500000000, -0.0017975000000000, -0.0000130000000000 ] - [ 0.0006135800000000, -0.0006519900000000, -0.0001813800000000 ] - [ 0.0000723700000000, -0.0000461200000000, -0.0002945800000000 ] - [ -0.0006243200000000, -0.0002055900000000, -0.0003251300000000 ] - [ -0.0000710100000000, 0.0001876200000000, 0.0004669600000000 ] - [ -0.0001082300000000, 0.0000053000000000, -0.0000710500000000 ] - [ -0.0000299600000000, 0.0000552700000000, -0.0000500400000000 ] - [ 0.0005334300000000, -0.0002631300000000, -0.0001116500000000 ] - [ 0.0004844800000000, -0.0002790100000000, -0.0000874300000000 ] - [ 0.0004107100000000, -0.0004133900000000, 0.0001064900000000 ] - [ -0.0001042600000000, 0.0019148800000000, -0.0001364500000000 ] - [ -0.0005390400000000, 0.0006842100000000, -0.0000794900000000 ] - [ 0.0001044800000000, 0.0002602600000000, -0.0001177200000000 ] - [ -0.0000867600000000, 0.0002673300000000, -0.0001064500000000 ] - [ -0.0002664000000000, 0.0009950900000000, 0.0005587500000000 ] - [ 0.0007267400000000, 0.0010367100000000, 0.0005485500000000 ] - [ 0.0000084100000000, -0.0000557200000000, 0.0003149100000000 ] - [ -0.0001147100000000, -0.0000732300000000, 0.0003444300000000 ] - [ -0.0008461100000000, 0.0006132800000000, 0.0009872100000000 ] - [ 0.0012357600000000, 0.0011112900000000, 0.0004813800000000 ] - [ 0.0001792300000000, 0.0005962700000000, 0.0003671600000000 ] - [ 0.0000413200000000, 0.0005860600000000, 0.0006423000000000 ] - [ -0.0097818700000000, -0.0118533000000000, -0.0006921700000000 ] - [ 0.0014760300000000, -0.0007524800000000, 0.0002920400000000 ] - [ 0.0002821700000000, 0.0002582700000000, 0.0003828400000000 ] - [ 0.0001394500000000, 0.0003442300000000, 0.0004492100000000 ] - [ 0.0028196400000000, 0.0040225600000000, -0.0022193000000000 ] - [ 0.0002176700000000, -0.0007657200000000, -0.0002551800000000 ] - [ -0.0001763800000000, -0.0004907700000000, -0.0002913400000000 ] - [ -0.0000058300000000, -0.0005807500000000, -0.0003117200000000 ] - [ 0.0000910300000000, -0.0011123800000000, -0.0010175800000000 ] - [ -0.0000934900000000, -0.0007841300000000, -0.0005003900000000 ] - [ -0.0019768000000000, -0.0020406400000000, 0.0003640400000000 ] - [ 0.0004334800000000, -0.0008307500000000, -0.0006692100000000 ] - [ -0.0038356400000000, 0.0000387800000000, -0.0000625300000000 ] - [ 0.0033261100000000, 0.0018245800000000, 0.0004848700000000 ] - [ 0.0000064700000000, 0.0001596000000000, -0.0003084000000000 ] - [ 0.0001650200000000, 0.0002271200000000, -0.0002069300000000 ] - [ -0.0012314500000000, 0.0010238400000000, -0.0005455600000000 ] - [ -0.0000848000000000, 0.0003448100000000, -0.0002822300000000 ] - [ -0.0001849600000000, 0.0000058900000000, -0.0001286600000000 ] - [ -0.0000923900000000, -0.0000692500000000, 0.0000914500000000 ] - [ -0.0010592500000000, 0.0006066600000000, 0.0003276800000000 ] - [ -0.0003750300000000, 0.0004214600000000, 0.0001464600000000 ] - [ -0.0004281900000000, 0.0006062600000000, -0.0006718100000000 ] - [ -0.0004018600000000, 0.0004215700000000, -0.0000529400000000 ] - [ 0.0000607300000000, -0.0006710500000000, -0.0004118300000000 ] - [ 0.0033950000000000, 0.0016417900000000, 0.0051344200000000 ] - [ -0.0001478400000000, -0.0005439800000000, -0.0004426200000000 ] - [ 0.0001578000000000, -0.0001701500000000, -0.0000127400000000 ] - [ -0.0002995300000000, 0.0003494300000000, 0.0001820400000000 ] - [ -0.0003009800000000, 0.0011770400000000, 0.0002277500000000 ] - [ -0.0002793100000000, 0.0003555600000000, 0.0000697500000000 ] - [ 0.0000042300000000, 0.0001837900000000, 0.0003019800000000 ] - [ -0.0014550800000000, 0.0008744800000000, -0.0016737500000000 ] - [ -0.0020530100000000, 0.0003977400000000, 0.0005305200000000 ] - [ -0.0021903600000000, 0.0003574500000000, 0.0005106200000000 ] - [ -0.0016183200000000, 0.0008444800000000, 0.0009692000000000 ] - [ 0.0014981200000000, 0.0005544400000000, 0.0043616300000000 ] - [ 0.0022612900000000, 0.0001729600000000, 0.0001012300000000 ] - [ 0.0019757200000000, 0.0005486600000000, -0.0017206200000000 ] - [ 0.0020918700000000, 0.0002768300000000, -0.0003469800000000 ] - [ 0.0010745000000000, 0.0065597200000000, -0.0032427800000000 ] - [ 0.0008049800000000, 0.0005884400000000, 0.0000790600000000 ] - [ 0.0004503700000000, 0.0004761600000000, 0.0000794600000000 ] - [ 0.0004948900000000, 0.0005819500000000, 0.0003870600000000 ] - [ -0.0010127500000000, 0.0015720800000000, 0.0012892500000000 ] - [ 0.0002662200000000, -0.0002160800000000, 0.0006568400000000 ] - [ 0.0000427300000000, -0.0004602300000000, 0.0005645600000000 ] - [ -0.0001462600000000, -0.0004363600000000, 0.0007161500000000 ] - [ 0.0004101700000000, -0.0000213000000000, 0.0008237900000000 ] - [ 0.0002473600000000, -0.0004023700000000, 0.0004475600000000 ] - [ 0.0003381100000000, -0.0000472600000000, 0.0003101200000000 ] - [ 0.0000230900000000, -0.0006716100000000, 0.0000985500000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002009400000000, 0.0000538200000000, 0.0003955500000000 ] - [ 0.0002661900000000, 0.0000324300000000, 0.0007738500000000 ] - [ -0.0005342300000000, 0.0001625400000000, -0.0004750000000000 ] - [ 0.0003422500000000, 0.0001091600000000, 0.0000684500000000 ] - [ -0.0033170300000000, 0.0003516600000000, -0.0007741200000000 ] - [ 0.0013813400000000, 0.0000833100000000, -0.0005932400000000 ] - [ 0.0000357700000000, -0.0000643800000000, -0.0002292000000000 ] - [ -0.0001711600000000, 0.0000315900000000, 0.0000627000000000 ] - [ -0.0023323900000000, -0.0024011200000000, 0.0012417000000000 ] - [ 0.0006633900000000, -0.0009276200000000, 0.0002712300000000 ] - [ -0.0000377400000000, -0.0001487800000000, 0.0002659500000000 ] - [ 0.0001097400000000, -0.0001859900000000, 0.0001802800000000 ] - [ -0.0000335100000000, 0.0004971200000000, -0.0004983400000000 ] - [ -0.0000599900000000, 0.0008180200000000, -0.0008157100000000 ] - [ -0.0001704400000000, 0.0005214300000000, -0.0001174100000000 ] - [ 0.0000188000000000, 0.0001003800000000, -0.0001788700000000 ] - [ 0.0005486300000000, 0.0015377800000000, 0.0002024900000000 ] - [ 0.0018213700000000, 0.0008936600000000, -0.0010321100000000 ] - [ 0.0017754200000000, 0.0006668500000000, -0.0013271100000000 ] - [ 0.0010027800000000, 0.0002919500000000, -0.0004553100000000 ] - [ -0.1324584100000000, -0.1202630400000000, -0.0244072200000000 ] - [ -0.0004434600000000, -0.0016376000000000, 0.0007932700000000 ] - [ -0.0007911300000000, -0.0002830300000000, 0.0006691000000000 ] - [ -0.0012090600000000, -0.0001495600000000, 0.0009307600000000 ] - [ -0.0000659700000000, 0.0038839500000000, -0.0000403200000000 ] - [ 0.0005398000000000, 0.0018922600000000, 0.0000469700000000 ] - [ 0.0006368700000000, 0.0006642500000000, -0.0001113500000000 ] - [ 0.0004025300000000, 0.0005663600000000, 0.0001170400000000 ] - [ -0.0002924700000000, -0.0002265300000000, -0.0003520900000000 ] - [ -0.0008630300000000, -0.0004824500000000, 0.0000298800000000 ] - [ -0.0043272900000000, -0.0043016300000000, 0.0024399500000000 ] - [ 0.0001196900000000, -0.0003932500000000, -0.0001825700000000 ] - [ -0.0003888900000000, -0.0008660800000000, -0.0001075600000000 ] - [ 0.0022096000000000, 0.0017215800000000, 0.0011047800000000 ] - [ 0.0001158600000000, -0.0009390700000000, -0.0017457500000000 ] - [ 0.0008098800000000, -0.0003177600000000, 0.0001339700000000 ] - [ -0.0063889200000000, 0.0018254000000000, 0.0029509000000000 ] - [ 0.0013811500000000, 0.0023488500000000, 0.0008432500000000 ] - [ -0.0009489900000000, 0.0001076200000000, -0.0005580000000000 ] - [ -0.0005196400000000, -0.0002429900000000, 0.0000936900000000 ] - [ 0.0026938100000000, 0.0077350500000000, -0.0024869300000000 ] - [ 0.0014466600000000, 0.0000819500000000, -0.0006811100000000 ] - [ 0.0011191600000000, 0.0000597300000000, -0.0006708600000000 ] - [ 0.0011239300000000, 0.0001382200000000, -0.0001945500000000 ] - [ -0.0019718800000000, -0.0010082600000000, 0.0023682000000000 ] - [ -0.0010609400000000, -0.0001927500000000, 0.0012229700000000 ] - [ -0.0001177100000000, 0.0002707300000000, -0.0023719900000000 ] - [ -0.0011275200000000, -0.0006345800000000, 0.0006280800000000 ] - [ -0.0002105800000000, -0.0003201900000000, -0.0002727200000000 ] - [ -0.0004100200000000, 0.0000363300000000, -0.0002852300000000 ] - [ -0.0002825300000000, 0.0001234200000000, -0.0004376600000000 ] - [ -0.0002149000000000, 0.0001656000000000, -0.0005237000000000 ] - [ 0.0016527400000000, -0.0067045600000000, -0.0031849500000000 ] - [ -0.0011637400000000, 0.0004795300000000, -0.0004168200000000 ] - [ -0.0000312000000000, 0.0004887300000000, -0.0005008800000000 ] - [ -0.0000073000000000, 0.0005746100000000, -0.0006736600000000 ] - [ 0.1373780200000000, 0.1236400600000000, 0.0205765000000000 ] - [ -0.0009883500000000, -0.0002404300000000, 0.0000221100000000 ] - [ -0.0004331400000000, -0.0003654000000000, -0.0000055900000000 ] - [ -0.0003912500000000, -0.0004002800000000, -0.0000767300000000 ] - [ -0.0014591100000000, -0.0016196700000000, -0.0000590800000000 ] - [ -0.0021519700000000, -0.0005734800000000, 0.0006974300000000 ] - [ -0.0020915100000000, -0.0004719700000000, 0.0006093400000000 ] - [ -0.0019754700000000, -0.0004107000000000, 0.0001420600000000 ] - [ -0.0016626700000000, 0.0013253500000000, 0.0075052300000000 ] - [ 0.0020320300000000, -0.0000500400000000, -0.0001880800000000 ] - [ 0.0022378700000000, -0.0001399000000000, -0.0005292300000000 ] - [ 0.0021686600000000, -0.0002544900000000, -0.0005381300000000 ] - [ -0.0000511000000000, 0.0001626800000000, -0.0003496800000000 ] - [ -0.0000995000000000, 0.0003489600000000, -0.0006235600000000 ] - [ 0.0001188800000000, 0.0013810400000000, -0.0005192000000000 ] - [ -0.0004028400000000, 0.0002388000000000, -0.0003507100000000 ] - [ -0.0002369900000000, 0.0003454200000000, 0.0003377000000000 ] - [ 0.0004601700000000, 0.0005045200000000, 0.0003702100000000 ] - [ -0.0000917500000000, 0.0001117600000000, -0.0004401200000000 ] - [ -0.0000565100000000, 0.0002943800000000, 0.0001138100000000 ] - [ 0.0009852600000000, -0.0010425300000000, 0.0001617000000000 ] - [ 0.0004238000000000, -0.0007239700000000, 0.0002212600000000 ] - [ 0.0004721100000000, -0.0007076500000000, 0.0001965800000000 ] - [ 0.0005456100000000, -0.0005739500000000, 0.0000032800000000 ] - [ 0.0002648000000000, -0.0016231700000000, 0.0000865000000000 ] - [ 0.0007045000000000, -0.0003827000000000, 0.0000358400000000 ] - [ 0.0000593700000000, 0.0000395400000000, 0.0000741500000000 ] - [ 0.0002510600000000, 0.0000325000000000, 0.0000632700000000 ] - [ 0.0000508200000000, -0.0014158200000000, -0.0000299000000000 ] - [ -0.0009382900000000, -0.0014532400000000, -0.0000170800000000 ] - [ -0.0002204000000000, -0.0003592200000000, 0.0002173000000000 ] - [ -0.0000968600000000, -0.0003426200000000, 0.0001877200000000 ] - [ 0.0008073100000000, 0.0005584900000000, 0.0002671400000000 ] - [ -0.0012731300000000, 0.0000662500000000, 0.0007704400000000 ] - [ -0.0002185200000000, 0.0005792400000000, 0.0008847500000000 ] - [ -0.0000813000000000, 0.0005898900000000, 0.0006097300000000 ] - [ 0.0101206200000000, 0.0129568500000000, 0.0013972700000000 ] - [ -0.0011911100000000, 0.0017037300000000, 0.0004158100000000 ] - [ 0.0000060400000000, 0.0006916500000000, 0.0003251700000000 ] - [ 0.0001490000000000, 0.0006074300000000, 0.0002576300000000 ] - [ -0.0030873200000000, -0.0049694300000000, 0.0015048500000000 ] - [ -0.0005027600000000, -0.0001938400000000, -0.0004517700000000 ] - [ -0.0001105100000000, -0.0004607000000000, -0.0004168400000000 ] - [ -0.0002827200000000, -0.0003699900000000, -0.0003962200000000 ] - [ -0.0000545700000000, -0.0000655600000000, -0.0002300500000000 ] - [ 0.0001336100000000, -0.0003919300000000, -0.0007509100000000 ] - [ 0.0020123900000000, 0.0008664100000000, -0.0016120100000000 ] - [ -0.0003945300000000, -0.0003466400000000, -0.0005828100000000 ] - [ 0.0040603600000000, 0.0004319300000000, -0.0004555900000000 ] - [ -0.0031481700000000, -0.0014148500000000, -0.0010157300000000 ] - [ 0.0002057200000000, 0.0002553700000000, -0.0002237700000000 ] - [ 0.0000467200000000, 0.0001875100000000, -0.0003253200000000 ] - [ 0.0010820300000000, -0.0013216800000000, 0.0005865500000000 ] - [ -0.0000821900000000, -0.0006445400000000, 0.0003264200000000 ] - [ 0.0000210300000000, -0.0003058600000000, 0.0001721100000000 ] - [ -0.0000719600000000, -0.0002304100000000, -0.0000485400000000 ] - [ 0.0001020600000000, 0.0003810500000000, -0.0004373000000000 ] - [ -0.0005830700000000, 0.0005657000000000, -0.0002571700000000 ] - [ -0.0005263500000000, 0.0003806900000000, 0.0005613000000000 ] - [ -0.0005556100000000, 0.0005657200000000, -0.0000570400000000 ] - [ 0.0001034600000000, 0.0003688400000000, 0.0003654700000000 ] - [ -0.0032305400000000, -0.0019554300000000, -0.0051756400000000 ] - [ 0.0003112900000000, 0.0002425500000000, 0.0003985800000000 ] - [ 0.0000058000000000, -0.0001306500000000, -0.0000308700000000 ] - [ 0.0000881100000000, 0.0000623600000000, 0.0003500500000000 ] - [ 0.0000885200000000, -0.0007675100000000, 0.0003025300000000 ] - [ 0.0000677200000000, 0.0000565000000000, 0.0004617900000000 ] - [ -0.0002150400000000, 0.0002289500000000, 0.0002302900000000 ] - [ -0.0026987400000000, -0.0002023100000000, 0.0023941200000000 ] - [ -0.0021076600000000, 0.0002739700000000, 0.0001973300000000 ] - [ -0.0019702200000000, 0.0003142400000000, 0.0002183800000000 ] - [ -0.0025401700000000, -0.0001706800000000, -0.0002396500000000 ] - [ 0.0026621900000000, 0.0001250400000000, -0.0051259800000000 ] - [ 0.0018976500000000, 0.0005010600000000, -0.0008299800000000 ] - [ 0.0021843600000000, 0.0001234300000000, 0.0009982300000000 ] - [ 0.0020681700000000, 0.0003965700000000, -0.0003816600000000 ] - [ -0.0001155900000000, -0.0055244100000000, 0.0033070200000000 ] - [ 0.0001519200000000, 0.0003974000000000, 0.0000305300000000 ] - [ 0.0005064100000000, 0.0005100200000000, 0.0000302400000000 ] - [ 0.0004591800000000, 0.0004030900000000, -0.0002771100000000 ] - [ 0.0009739400000000, -0.0027521300000000, -0.0000426500000000 ] - [ -0.0003045700000000, -0.0009625100000000, 0.0005939800000000 ] - [ -0.0000824000000000, -0.0007162200000000, 0.0006875100000000 ] - [ 0.0001064500000000, -0.0007401500000000, 0.0005358700000000 ] - [ -0.0001201600000000, -0.0009261600000000, -0.0001132000000000 ] - [ 0.0000407900000000, -0.0005479000000000, 0.0002606600000000 ] - [ -0.0000493800000000, -0.0009023200000000, 0.0003986400000000 ] - [ 0.0002658300000000, -0.0002765500000000, 0.0006098400000000 ]- atom: 57 displacement: [ -0.0045611250918810, 0.0000000000000000, 0.0088992211960493 ] forces: - [ 0.0008885400000000, -0.0002554400000000, -0.0000976300000000 ] - [ -0.0009160100000000, -0.0001010700000000, 0.0001677500000000 ] - [ -0.0008409700000000, 0.0014058200000000, -0.0001400400000000 ] - [ 0.0007078500000000, 0.0001952000000000, 0.0001708200000000 ] - [ -0.0017745900000000, -0.0012225500000000, 0.0010277900000000 ] - [ 0.0012054600000000, 0.0002563000000000, -0.0002361400000000 ] - [ 0.0000644800000000, 0.0000305100000000, -0.0006027200000000 ] - [ -0.0001034100000000, -0.0003630500000000, -0.0016580600000000 ] - [ -0.0250717700000000, -0.0017047500000000, 0.0059600600000000 ] - [ 0.0020519100000000, 0.0000478600000000, 0.0003573500000000 ] - [ 0.0001517900000000, -0.0001582000000000, -0.0005982600000000 ] - [ -0.0000667300000000, -0.0000151300000000, -0.0003419400000000 ] - [ 0.0001142900000000, 0.0002988800000000, 0.0002520700000000 ] - [ -0.0002075100000000, -0.0001509000000000, 0.0007035100000000 ] - [ -0.0001561700000000, -0.0005229000000000, -0.0009379100000000 ] - [ 0.0000882600000000, 0.0000674200000000, -0.0006395400000000 ] - [ 0.0001768200000000, -0.0009792600000000, 0.0004658500000000 ] - [ 0.0017387100000000, -0.0000390600000000, -0.0001470300000000 ] - [ 0.0018647900000000, 0.0002146900000000, -0.0018629500000000 ] - [ 0.0006259500000000, -0.0001316100000000, -0.0012922500000000 ] - [ -0.0648308300000000, -0.0309594600000000, 0.0178268800000000 ] - [ 0.0013901100000000, -0.0006993200000000, 0.0018695000000000 ] - [ -0.0001597500000000, -0.0004053500000000, -0.0013561500000000 ] - [ -0.0017297100000000, 0.0003696900000000, -0.0002656900000000 ] - [ -0.0007727800000000, 0.0000639800000000, 0.0014876600000000 ] - [ 0.0022170400000000, -0.0001238300000000, 0.0006922700000000 ] - [ 0.0008523400000000, 0.0006542100000000, -0.0008289200000000 ] - [ -0.0000569000000000, 0.0006259700000000, -0.0006197600000000 ] - [ 0.0008575800000000, 0.0003347900000000, -0.0012746600000000 ] - [ -0.0015855700000000, 0.0004118100000000, -0.0003180000000000 ] - [ -0.0030786700000000, -0.0002706800000000, -0.0043802800000000 ] - [ 0.0006025700000000, 0.0003195300000000, 0.0007480500000000 ] - [ 0.0022432700000000, -0.0015229200000000, -0.0006433900000000 ] - [ -0.0006531300000000, -0.0006689700000000, 0.0008249700000000 ] - [ -0.0000539800000000, -0.0000932200000000, -0.0014646500000000 ] - [ 0.0010312000000000, -0.0000842500000000, -0.0000616200000000 ] - [ -0.0021448400000000, -0.0065554000000000, 0.0017824600000000 ] - [ 0.0002196600000000, 0.0002015200000000, 0.0005211300000000 ] - [ -0.0010479500000000, 0.0006723700000000, -0.0018207100000000 ] - [ -0.0009081700000000, -0.0002194500000000, -0.0006716900000000 ] - [ 0.0007122700000000, 0.0040473400000000, -0.0010589500000000 ] - [ 0.0018236300000000, -0.0006582000000000, -0.0000504000000000 ] - [ 0.0016181000000000, -0.0002953400000000, -0.0015673400000000 ] - [ 0.0008005700000000, -0.0000556700000000, -0.0010439000000000 ] - [ 0.0005873400000000, 0.0004269700000000, -0.0051181100000000 ] - [ -0.0008092100000000, -0.0000544400000000, 0.0006080000000000 ] - [ 0.0025637100000000, 0.0029173900000000, -0.0039996600000000 ] - [ -0.0022953600000000, 0.0002828500000000, 0.0012424000000000 ] - [ 0.0001292300000000, 0.0004215400000000, -0.0006918000000000 ] - [ -0.0006298900000000, 0.0001817600000000, -0.0005040800000000 ] - [ -0.0003281100000000, 0.0005452500000000, -0.0001098900000000 ] - [ 0.0003635400000000, 0.0009136800000000, -0.0001506200000000 ] - [ 0.0020452400000000, 0.0005319000000000, -0.0027633800000000 ] - [ -0.0007208200000000, 0.0007617300000000, -0.0006881800000000 ] - [ -0.0003400500000000, 0.0005919300000000, -0.0000272400000000 ] - [ 0.0002495200000000, 0.0005573500000000, -0.0004519500000000 ] - [ 0.1165647500000000, 0.0432953600000000, -0.0260811300000000 ] - [ -0.0014042700000000, -0.0007925400000000, -0.0004496700000000 ] - [ -0.0009353600000000, -0.0005141600000000, 0.0005482700000000 ] - [ -0.0002774300000000, -0.0004323700000000, 0.0002176300000000 ] - [ -0.0016777700000000, -0.0001516400000000, -0.0011213300000000 ] - [ -0.0023022300000000, -0.0001231200000000, -0.0002925900000000 ] - [ -0.0022368600000000, -0.0004632000000000, 0.0013335300000000 ] - [ -0.0019840100000000, -0.0004486800000000, 0.0010043800000000 ] - [ -0.0169580700000000, -0.0146121600000000, 0.0036569900000000 ] - [ 0.0017470700000000, -0.0005500600000000, -0.0015203600000000 ] - [ 0.0016360400000000, -0.0002558000000000, 0.0015225400000000 ] - [ 0.0022015400000000, -0.0002295600000000, 0.0003174800000000 ] - [ -0.0004144000000000, 0.0000191000000000, -0.0001655600000000 ] - [ 0.0008327100000000, -0.0006992200000000, -0.0000306400000000 ] - [ 0.0013271300000000, -0.0018136500000000, 0.0008746000000000 ] - [ -0.0007654800000000, 0.0002215000000000, -0.0004449700000000 ] - [ -0.0006148600000000, -0.0000629100000000, 0.0002154100000000 ] - [ 0.0004326900000000, 0.0002929300000000, -0.0000332100000000 ] - [ 0.0019908000000000, 0.0024705300000000, 0.0041355000000000 ] - [ -0.0004382400000000, 0.0000929300000000, 0.0000077200000000 ] - [ 0.0008855000000000, -0.0006282800000000, -0.0002974300000000 ] - [ 0.0002013700000000, -0.0003180100000000, -0.0002529200000000 ] - [ 0.0001669700000000, -0.0003627900000000, 0.0004429400000000 ] - [ 0.0006342600000000, -0.0005680800000000, 0.0002547200000000 ] - [ 0.0005933000000000, 0.0002160700000000, -0.0003424200000000 ] - [ -0.0005999300000000, 0.0006346300000000, -0.0002021300000000 ] - [ -0.0000520100000000, 0.0000167200000000, 0.0003280500000000 ] - [ 0.0003872200000000, -0.0002036300000000, 0.0004926800000000 ] - [ 0.0003949600000000, 0.0000283000000000, 0.0001284800000000 ] - [ -0.0007615000000000, -0.0006954700000000, 0.0000894000000000 ] - [ -0.0001538600000000, -0.0002392600000000, 0.0003860000000000 ] - [ 0.0000117400000000, -0.0000006900000000, 0.0004958200000000 ] - [ -0.0010705400000000, 0.0017334800000000, 0.0008814700000000 ] - [ 0.0001332300000000, 0.0007482800000000, 0.0002522400000000 ] - [ -0.0000987900000000, 0.0003876000000000, 0.0009746500000000 ] - [ -0.0000375700000000, 0.0005307400000000, 0.0007678800000000 ] - [ -0.0049773500000000, -0.0001799800000000, -0.0048936300000000 ] - [ -0.0016484100000000, 0.0011426400000000, 0.0000686700000000 ] - [ 0.0001714900000000, 0.0004090200000000, 0.0006478900000000 ] - [ 0.0004243200000000, 0.0000820500000000, 0.0008820300000000 ] - [ -0.0019758800000000, -0.0046394900000000, 0.0003139400000000 ] - [ -0.0009829700000000, 0.0007259000000000, -0.0007467700000000 ] - [ -0.0002859500000000, -0.0003600900000000, 0.0000317200000000 ] - [ 0.0000277700000000, -0.0006454300000000, -0.0001516600000000 ] - [ -0.0011923200000000, -0.0010886800000000, 0.0006331800000000 ] - [ 0.0002867100000000, -0.0005635200000000, -0.0008656700000000 ] - [ -0.0020832100000000, -0.0017424200000000, 0.0009879200000000 ] - [ -0.0002654600000000, -0.0005891600000000, -0.0006142600000000 ] - [ -0.0034423100000000, 0.0063307900000000, -0.0007152900000000 ] - [ -0.0003304800000000, -0.0007238900000000, -0.0009939800000000 ] - [ 0.0002217000000000, 0.0002270900000000, 0.0000805600000000 ] - [ 0.0001766200000000, 0.0002947100000000, 0.0000212200000000 ] - [ -0.0002942800000000, 0.0010317600000000, -0.0013750100000000 ] - [ -0.0000514500000000, -0.0002660600000000, -0.0004333100000000 ] - [ 0.0000492500000000, -0.0004582400000000, 0.0006924500000000 ] - [ -0.0000359500000000, -0.0002171500000000, 0.0005911400000000 ] - [ -0.0020836400000000, 0.0010590100000000, 0.0005141000000000 ] - [ -0.0004459200000000, 0.0005241600000000, -0.0000790200000000 ] - [ -0.0007524700000000, -0.0001168900000000, 0.0012028300000000 ] - [ -0.0003654900000000, 0.0003589200000000, -0.0000398300000000 ] - [ -0.0005756000000000, 0.0001490900000000, -0.0000030800000000 ] - [ 0.0015066700000000, 0.0000935700000000, -0.0016358500000000 ] - [ 0.0003453400000000, -0.0000884300000000, 0.0005276800000000 ] - [ -0.0002303800000000, -0.0002049100000000, 0.0002505700000000 ] - [ -0.0006916000000000, 0.0009042100000000, 0.0000439600000000 ] - [ 0.0001267200000000, 0.0003997900000000, -0.0000892000000000 ] - [ 0.0001437900000000, -0.0000272800000000, 0.0005889100000000 ] - [ -0.0002119300000000, 0.0001337300000000, 0.0003925000000000 ] - [ -0.0023279800000000, 0.0000638600000000, 0.0015177000000000 ] - [ -0.0021229200000000, 0.0003284400000000, 0.0000774200000000 ] - [ -0.0020788300000000, 0.0005942000000000, 0.0008410600000000 ] - [ -0.0020471800000000, 0.0003640600000000, 0.0003400600000000 ] - [ 0.0021846800000000, 0.0057505000000000, 0.0085494500000000 ] - [ 0.0018596700000000, 0.0004099500000000, -0.0004775000000000 ] - [ 0.0017788600000000, -0.0005652900000000, 0.0027784400000000 ] - [ 0.0023361200000000, 0.0001817300000000, -0.0001005900000000 ] - [ 0.0010332400000000, -0.0026893600000000, 0.0007680200000000 ] - [ -0.0000257600000000, 0.0003651100000000, -0.0000633000000000 ] - [ 0.0002906400000000, 0.0005265300000000, 0.0003191300000000 ] - [ 0.0010507000000000, 0.0007796900000000, 0.0003041800000000 ] - [ 0.0012056400000000, -0.0011022500000000, 0.0000230500000000 ] - [ -0.0008699700000000, -0.0003821800000000, 0.0007197100000000 ] - [ -0.0003232200000000, -0.0006054600000000, 0.0009389200000000 ] - [ 0.0002207100000000, -0.0006185000000000, 0.0006830500000000 ] - [ 0.0013372100000000, 0.0011901700000000, 0.0019639600000000 ] - [ -0.0000211900000000, -0.0004245200000000, 0.0004894700000000 ] - [ -0.0006639600000000, -0.0018686900000000, 0.0001212900000000 ] - [ 0.0005651900000000, -0.0008155300000000, 0.0000547100000000 ]- atom: 57 displacement: [ 0.0045611250918810, 0.0000000000000000, -0.0088992211960493 ] forces: - [ -0.0007989200000000, 0.0002862800000000, 0.0005386600000000 ] - [ 0.0010166900000000, 0.0001296800000000, 0.0002685300000000 ] - [ 0.0009340200000000, -0.0013733800000000, 0.0005895200000000 ] - [ -0.0006112000000000, -0.0001658200000000, 0.0002765500000000 ] - [ 0.0016824500000000, 0.0012780300000000, -0.0014934400000000 ] - [ -0.0013053200000000, -0.0002310500000000, -0.0002082200000000 ] - [ -0.0001597200000000, -0.0000025400000000, 0.0001600300000000 ] - [ 0.0000097100000000, 0.0003893300000000, 0.0012058600000000 ] - [ 0.0259300700000000, 0.0018335600000000, -0.0052640300000000 ] - [ -0.0019945000000000, -0.0000693600000000, 0.0001027100000000 ] - [ -0.0000583600000000, 0.0001288400000000, 0.0010387800000000 ] - [ 0.0001624100000000, -0.0000133400000000, 0.0007854300000000 ] - [ -0.0002092800000000, -0.0003263500000000, -0.0006885200000000 ] - [ 0.0001132300000000, 0.0001192700000000, -0.0011427100000000 ] - [ 0.0000620600000000, 0.0004978500000000, 0.0004924700000000 ] - [ -0.0001844500000000, -0.0000961900000000, 0.0001922100000000 ] - [ 0.0021031700000000, 0.0010035900000000, -0.0019301900000000 ] - [ 0.0005368700000000, 0.0000652200000000, -0.0013203500000000 ] - [ 0.0004119800000000, -0.0001855000000000, 0.0003865200000000 ] - [ 0.0016554900000000, 0.0001610500000000, -0.0001881200000000 ] - [ 0.0629189900000000, 0.0310851000000000, -0.0167841200000000 ] - [ -0.0036844000000000, 0.0007394800000000, -0.0003950700000000 ] - [ -0.0021168200000000, 0.0004330900000000, 0.0028288800000000 ] - [ -0.0005518000000000, -0.0003378900000000, 0.0017345900000000 ] - [ 0.0019418500000000, 0.0005667000000000, -0.0014376000000000 ] - [ -0.0010618900000000, 0.0007711900000000, -0.0006462500000000 ] - [ 0.0003076200000000, -0.0000006300000000, 0.0008728100000000 ] - [ 0.0012152000000000, 0.0000271900000000, 0.0006619200000000 ] - [ -0.0020295000000000, 0.0003144900000000, 0.0012304200000000 ] - [ 0.0004276900000000, 0.0002380200000000, 0.0002638600000000 ] - [ 0.0019159100000000, 0.0009942100000000, 0.0044731200000000 ] - [ -0.0017647000000000, 0.0003322900000000, -0.0007862400000000 ] - [ -0.0010741800000000, 0.0008714900000000, 0.0006961400000000 ] - [ 0.0018038900000000, 0.0000117500000000, -0.0007708500000000 ] - [ 0.0012192300000000, -0.0005637300000000, 0.0015098200000000 ] - [ 0.0001222500000000, -0.0005711200000000, 0.0000994000000000 ] - [ 0.0010235900000000, 0.0059180200000000, -0.0018701800000000 ] - [ -0.0014062500000000, -0.0008873300000000, -0.0005775500000000 ] - [ -0.0001167400000000, -0.0013192200000000, 0.0017699700000000 ] - [ -0.0002506000000000, -0.0004326700000000, 0.0006284700000000 ] - [ 0.0015789600000000, -0.0040940300000000, -0.0004106600000000 ] - [ 0.0004424100000000, 0.0006364400000000, -0.0014293500000000 ] - [ 0.0006622700000000, 0.0002639700000000, 0.0000941400000000 ] - [ 0.0014784800000000, 0.0000253500000000, -0.0004313400000000 ] - [ -0.0028680700000000, -0.0004618900000000, 0.0065935700000000 ] - [ -0.0014745700000000, 0.0000241600000000, 0.0008574400000000 ] - [ -0.0048252000000000, -0.0029227900000000, 0.0054410000000000 ] - [ 0.0000120900000000, -0.0003096400000000, 0.0002358600000000 ] - [ -0.0004204400000000, 0.0005313700000000, -0.0000189800000000 ] - [ 0.0003391000000000, 0.0007707800000000, -0.0002057800000000 ] - [ 0.0000396400000000, 0.0004079100000000, -0.0005963400000000 ] - [ -0.0006557000000000, 0.0000388400000000, -0.0005544300000000 ] - [ -0.0020411000000000, 0.0006873400000000, 0.0015324900000000 ] - [ 0.0007778200000000, 0.0004166300000000, -0.0005674300000000 ] - [ 0.0003811900000000, 0.0005836000000000, -0.0012232500000000 ] - [ -0.0002090300000000, 0.0006197000000000, -0.0008001000000000 ] - [ -0.1182609100000000, -0.0442167100000000, 0.0259243100000000 ] - [ 0.0004529400000000, -0.0001915800000000, 0.0003389900000000 ] - [ -0.0000252700000000, -0.0004691200000000, -0.0006572800000000 ] - [ -0.0006845300000000, -0.0005520300000000, -0.0003258500000000 ] - [ -0.0024870700000000, -0.0005158400000000, 0.0018473400000000 ] - [ -0.0018593000000000, -0.0005458900000000, 0.0010194000000000 ] - [ -0.0019252500000000, -0.0002077500000000, -0.0005993200000000 ] - [ -0.0021790300000000, -0.0002222600000000, -0.0002677300000000 ] - [ 0.0207020200000000, 0.0136206000000000, -0.0042190000000000 ] - [ 0.0024167300000000, -0.0001216700000000, 0.0007838900000000 ] - [ 0.0025279400000000, -0.0004134600000000, -0.0022565400000000 ] - [ 0.0019603000000000, -0.0004400600000000, -0.0010440500000000 ] - [ 0.0006305200000000, -0.0004310400000000, -0.0003649900000000 ] - [ -0.0006249700000000, 0.0002919300000000, -0.0004979600000000 ] - [ -0.0011091700000000, 0.0013814400000000, -0.0014058000000000 ] - [ 0.0009739400000000, -0.0006290000000000, -0.0000893200000000 ] - [ 0.0004565800000000, 0.0003638700000000, -0.0001716600000000 ] - [ -0.0005974700000000, 0.0000052400000000, 0.0000830000000000 ] - [ -0.0021329100000000, -0.0021533200000000, -0.0040552500000000 ] - [ 0.0002764800000000, 0.0002048700000000, 0.0000314500000000 ] - [ 0.0000750300000000, -0.0003547100000000, 0.0004037300000000 ] - [ 0.0007605200000000, -0.0006652500000000, 0.0003603900000000 ] - [ 0.0007947200000000, -0.0006220900000000, -0.0003325300000000 ] - [ 0.0003250400000000, -0.0004155300000000, -0.0001428400000000 ] - [ -0.0004334400000000, 0.0000965400000000, 0.0003047100000000 ] - [ 0.0007621600000000, -0.0003380400000000, 0.0001633500000000 ] - [ 0.0002134900000000, 0.0002798200000000, -0.0003690200000000 ] - [ -0.0002241200000000, 0.0004998000000000, -0.0005328800000000 ] - [ -0.0006082900000000, -0.0004351400000000, 0.0004056300000000 ] - [ 0.0005516900000000, 0.0002889600000000, 0.0004446300000000 ] - [ -0.0000582900000000, -0.0001714500000000, 0.0001465800000000 ] - [ -0.0002240700000000, -0.0004086500000000, 0.0000378200000000 ] - [ 0.0010196200000000, -0.0005524200000000, 0.0003648000000000 ] - [ -0.0001701600000000, 0.0004305800000000, 0.0009968800000000 ] - [ 0.0000562300000000, 0.0007904600000000, 0.0002782800000000 ] - [ -0.0000030700000000, 0.0006463100000000, 0.0004861200000000 ] - [ 0.0053056200000000, 0.0011181400000000, 0.0055540800000000 ] - [ 0.0019478800000000, -0.0001965300000000, 0.0006397500000000 ] - [ 0.0001173700000000, 0.0005450300000000, 0.0000593000000000 ] - [ -0.0001332700000000, 0.0008683900000000, -0.0001717300000000 ] - [ 0.0016983500000000, 0.0037137900000000, -0.0010244300000000 ] - [ 0.0007090500000000, -0.0016971600000000, 0.0000438200000000 ] - [ -0.0000057400000000, -0.0005910300000000, -0.0007377000000000 ] - [ -0.0003172400000000, -0.0003072600000000, -0.0005555000000000 ] - [ 0.0012407500000000, -0.0000852800000000, -0.0018922500000000 ] - [ -0.0002458800000000, -0.0006137700000000, -0.0003815800000000 ] - [ 0.0020825500000000, 0.0005416500000000, -0.0022161400000000 ] - [ 0.0003074400000000, -0.0005879000000000, -0.0006392100000000 ] - [ 0.0036591300000000, -0.0059497900000000, 0.0002053000000000 ] - [ 0.0005844200000000, 0.0011647000000000, 0.0004665500000000 ] - [ -0.0000081300000000, 0.0001837400000000, -0.0006113300000000 ] - [ 0.0000345500000000, 0.0001156000000000, -0.0005541700000000 ] - [ 0.0001243600000000, -0.0013286900000000, 0.0014196600000000 ] - [ -0.0001112800000000, -0.0000242000000000, 0.0004683800000000 ] - [ -0.0002102200000000, 0.0001593600000000, -0.0006478300000000 ] - [ -0.0001264800000000, -0.0000802500000000, -0.0005505700000000 ] - [ 0.0011380700000000, -0.0000818100000000, -0.0006249400000000 ] - [ -0.0005141900000000, 0.0004590100000000, -0.0000269600000000 ] - [ -0.0002030000000000, 0.0010948900000000, -0.0013058700000000 ] - [ -0.0005951800000000, 0.0006245600000000, -0.0000704700000000 ] - [ 0.0007387900000000, -0.0004504700000000, -0.0000490400000000 ] - [ -0.0013447700000000, -0.0003932400000000, 0.0015961600000000 ] - [ -0.0001856800000000, -0.0002085100000000, -0.0005675600000000 ] - [ 0.0003952100000000, -0.0000907100000000, -0.0002884700000000 ] - [ 0.0004780500000000, -0.0004934600000000, 0.0004860700000000 ] - [ -0.0003399600000000, 0.0000137800000000, 0.0006185300000000 ] - [ -0.0003571700000000, 0.0004372400000000, -0.0000561900000000 ] - [ 0.0000013400000000, 0.0002755000000000, 0.0001414600000000 ] - [ -0.0018361500000000, 0.0006080800000000, -0.0007836300000000 ] - [ -0.0020388000000000, 0.0003423100000000, 0.0006632200000000 ] - [ -0.0020843300000000, 0.0000760100000000, -0.0001116500000000 ] - [ -0.0021130800000000, 0.0003082600000000, 0.0003928300000000 ] - [ 0.0019761400000000, -0.0051717400000000, -0.0093780700000000 ] - [ 0.0023057200000000, 0.0002585400000000, -0.0002475700000000 ] - [ 0.0023827500000000, 0.0012287400000000, -0.0034903000000000 ] - [ 0.0018265700000000, 0.0004886500000000, -0.0006327900000000 ] - [ -0.0000902800000000, 0.0036832700000000, -0.0006551800000000 ] - [ 0.0009928900000000, 0.0006211400000000, 0.0001749200000000 ] - [ 0.0006705700000000, 0.0004583900000000, -0.0002097900000000 ] - [ -0.0000875300000000, 0.0002062200000000, -0.0001928900000000 ] - [ -0.0012547600000000, -0.0000668000000000, 0.0012345100000000 ] - [ 0.0008346000000000, -0.0007946100000000, 0.0005326300000000 ] - [ 0.0002812500000000, -0.0005719500000000, 0.0003137300000000 ] - [ -0.0002623200000000, -0.0005582600000000, 0.0005698500000000 ] - [ -0.0010590900000000, -0.0021584800000000, -0.0012692800000000 ] - [ 0.0003143000000000, -0.0005260000000000, 0.0002206600000000 ] - [ 0.0009497000000000, 0.0009080400000000, 0.0005816500000000 ] - [ -0.0002750900000000, -0.0001399000000000, 0.0006506400000000 ]- atom: 61 displacement: [ 0.0099996083916704, 0.0000000000000000, -0.0000884986623371 ] forces: - [ -0.0001484000000000, -0.0001550800000000, 0.0003566900000000 ] - [ 0.0005132200000000, 0.0005757300000000, -0.0017500800000000 ] - [ 0.0006220700000000, -0.0004840200000000, 0.0005066000000000 ] - [ -0.0004326700000000, 0.0000088800000000, 0.0004084600000000 ] - [ 0.0011467700000000, -0.0017558500000000, -0.0019386600000000 ] - [ -0.0012561500000000, 0.0003971800000000, -0.0000020700000000 ] - [ -0.0003403400000000, 0.0000433300000000, 0.0000573500000000 ] - [ 0.0002606300000000, 0.0000915000000000, -0.0002849500000000 ] - [ -0.0000118700000000, 0.0011039500000000, 0.0003237800000000 ] - [ -0.0001317600000000, -0.0000359200000000, -0.0000822200000000 ] - [ 0.0000524100000000, -0.0000483400000000, 0.0003464300000000 ] - [ 0.0000463100000000, 0.0001628500000000, 0.0004179700000000 ] - [ -0.0040354800000000, 0.0004399000000000, -0.0004199600000000 ] - [ -0.0020837900000000, -0.0022351600000000, -0.0025013500000000 ] - [ 0.0003786600000000, -0.0004194400000000, -0.0001158600000000 ] - [ -0.0003024900000000, -0.0001086700000000, -0.0002047300000000 ] - [ 0.0417042200000000, -0.0065022000000000, -0.0439622100000000 ] - [ -0.0010402100000000, -0.0007379100000000, -0.0008167900000000 ] - [ -0.0002435600000000, -0.0007920500000000, 0.0008441700000000 ] - [ 0.0012728600000000, -0.0004979500000000, -0.0014981300000000 ] - [ 0.0003764700000000, 0.0006398900000000, 0.0005955700000000 ] - [ -0.0023245200000000, 0.0007251600000000, 0.0007300400000000 ] - [ -0.0014786300000000, 0.0001685800000000, 0.0011136400000000 ] - [ -0.0008944400000000, 0.0000212700000000, 0.0006023100000000 ] - [ 0.0120720100000000, -0.0039479700000000, -0.0059024500000000 ] - [ -0.0017564700000000, -0.0007580100000000, 0.0000612500000000 ] - [ 0.0003268500000000, 0.0000289300000000, 0.0005847500000000 ] - [ 0.0008026900000000, 0.0003478300000000, -0.0002390800000000 ] - [ -0.0010629200000000, 0.0008309100000000, 0.0002737000000000 ] - [ -0.0001146500000000, 0.0008543400000000, -0.0001713300000000 ] - [ 0.0016456000000000, 0.0005312200000000, -0.0003173600000000 ] - [ -0.0022860100000000, 0.0002058600000000, -0.0000077100000000 ] - [ -0.0014997300000000, -0.0007669800000000, 0.0010369200000000 ] - [ -0.0012571100000000, 0.0029247000000000, -0.0000375900000000 ] - [ 0.0024440700000000, 0.0014214400000000, 0.0021854400000000 ] - [ 0.0000879500000000, -0.0004026600000000, -0.0002620600000000 ] - [ 0.0014599600000000, -0.0032789700000000, 0.0009901500000000 ] - [ -0.0037102400000000, 0.0013578700000000, -0.0003596000000000 ] - [ -0.0004246300000000, -0.0004892900000000, 0.0004801300000000 ] - [ -0.0005752200000000, -0.0003700900000000, -0.0000601200000000 ] - [ 0.0050974000000000, 0.0016990200000000, 0.0012485100000000 ] - [ -0.0010748100000000, 0.0000462600000000, -0.0010547300000000 ] - [ 0.0009806500000000, 0.0000613800000000, 0.0000930200000000 ] - [ 0.0012562600000000, -0.0001542500000000, -0.0013987700000000 ] - [ -0.0006207200000000, 0.0003621300000000, 0.0008023700000000 ] - [ -0.0016615000000000, 0.0002206500000000, 0.0004322000000000 ] - [ -0.0012038600000000, 0.0012804900000000, 0.0013723100000000 ] - [ -0.0012278500000000, 0.0000340700000000, 0.0005493600000000 ] - [ -0.0053052900000000, 0.0017080500000000, 0.0074708500000000 ] - [ 0.0007620400000000, 0.0009413500000000, -0.0004289300000000 ] - [ 0.0001205900000000, 0.0008072800000000, -0.0004086900000000 ] - [ -0.0002417100000000, 0.0009163400000000, 0.0001281100000000 ] - [ -0.0021740700000000, 0.0007869100000000, -0.0003236300000000 ] - [ 0.0012684100000000, 0.0002009600000000, -0.0009500600000000 ] - [ 0.0001259200000000, 0.0005767300000000, -0.0007501400000000 ] - [ -0.0000386200000000, 0.0006130700000000, -0.0005724700000000 ] - [ -0.0013991200000000, -0.0011196300000000, -0.0000538400000000 ] - [ 0.0000456300000000, -0.0004183700000000, -0.0000275300000000 ] - [ -0.0003491200000000, -0.0004792000000000, -0.0001744700000000 ] - [ -0.0006756900000000, -0.0006011000000000, -0.0000527800000000 ] - [ -0.0605409500000000, 0.0163432800000000, 0.0582685500000000 ] - [ -0.0015113800000000, -0.0003901100000000, 0.0003447500000000 ] - [ -0.0019990500000000, -0.0001714000000000, -0.0005247700000000 ] - [ -0.0022086000000000, -0.0002604300000000, 0.0007201100000000 ] - [ 0.0017349300000000, -0.0005430600000000, -0.0001635700000000 ] - [ 0.0023197600000000, -0.0003804900000000, -0.0003859900000000 ] - [ 0.0021098400000000, -0.0004171000000000, -0.0006087400000000 ] - [ 0.0019729600000000, -0.0004122900000000, -0.0002021100000000 ] - [ 0.0003848600000000, -0.0004542000000000, -0.0002142800000000 ] - [ 0.0000163700000000, -0.0006263600000000, -0.0000265400000000 ] - [ -0.0002818100000000, -0.0000645000000000, -0.0003104200000000 ] - [ 0.0005599700000000, -0.0004942200000000, -0.0002257100000000 ] - [ 0.0002049300000000, -0.0000313600000000, -0.0001822800000000 ] - [ -0.0006742400000000, -0.0000533400000000, -0.0000339800000000 ] - [ -0.0008722400000000, 0.0000154000000000, -0.0000505800000000 ] - [ 0.0007019900000000, 0.0004523000000000, 0.0000136800000000 ] - [ 0.0088836200000000, -0.0041835300000000, -0.0166466900000000 ] - [ 0.0014048100000000, -0.0005414800000000, 0.0001646800000000 ] - [ 0.0006894100000000, -0.0003340900000000, -0.0003614900000000 ] - [ 0.0004389800000000, -0.0004028000000000, 0.0001614400000000 ] - [ 0.0014547100000000, -0.0028835100000000, 0.0067784500000000 ] - [ 0.0003613800000000, 0.0003780100000000, -0.0002748300000000 ] - [ 0.0001755600000000, 0.0002059300000000, -0.0002013100000000 ] - [ -0.0000707600000000, 0.0002729800000000, 0.0001918900000000 ] - [ 0.0007480000000000, -0.0006516300000000, 0.0030329000000000 ] - [ 0.0016695800000000, 0.0008255300000000, 0.0005559800000000 ] - [ 0.0000875600000000, -0.0000687000000000, 0.0002357400000000 ] - [ -0.0002684600000000, -0.0002766200000000, 0.0003136200000000 ] - [ 0.0025549200000000, 0.0026645700000000, -0.0042094500000000 ] - [ 0.0016119700000000, 0.0005841800000000, 0.0003381700000000 ] - [ 0.0000960000000000, 0.0002611800000000, 0.0000109900000000 ] - [ 0.0000984400000000, 0.0006368200000000, 0.0006370800000000 ] - [ -0.0002901900000000, 0.0006779400000000, 0.0005395200000000 ] - [ 0.0008358200000000, -0.0002069500000000, 0.0003560100000000 ] - [ 0.0002703400000000, 0.0003791100000000, 0.0002489000000000 ] - [ 0.0000320500000000, 0.0004957200000000, 0.0003580100000000 ] - [ 0.0003295000000000, -0.0024357800000000, 0.0001385200000000 ] - [ 0.0003960400000000, -0.0004656200000000, -0.0001045200000000 ] - [ -0.0003367700000000, -0.0003041800000000, -0.0005430800000000 ] - [ -0.0000106400000000, -0.0005760800000000, -0.0003512500000000 ] - [ 0.0002005300000000, -0.0008646100000000, -0.0007920200000000 ] - [ -0.0001849400000000, -0.0007660900000000, -0.0004630100000000 ] - [ -0.0007959100000000, -0.0004752200000000, -0.0006037900000000 ] - [ 0.0009797800000000, -0.0007849100000000, -0.0008341900000000 ] - [ -0.0000834100000000, 0.0005706400000000, -0.0002626900000000 ] - [ 0.0002504200000000, -0.0003198100000000, -0.0003293400000000 ] - [ 0.0000638300000000, 0.0002060900000000, -0.0003188200000000 ] - [ 0.0001195100000000, 0.0001749400000000, -0.0002839500000000 ] - [ 0.0010396800000000, 0.0024889800000000, -0.0014439900000000 ] - [ 0.0019651400000000, -0.0009999500000000, 0.0003003500000000 ] - [ -0.0001385400000000, -0.0000744600000000, -0.0000970500000000 ] - [ -0.0001008200000000, -0.0000799700000000, -0.0000371300000000 ] - [ -0.0006497200000000, 0.0006050700000000, -0.0001448900000000 ] - [ 0.0002773400000000, 0.0000383700000000, 0.0003704400000000 ] - [ -0.0006445200000000, -0.0001493700000000, -0.0004294900000000 ] - [ -0.0003691700000000, 0.0004679500000000, -0.0000411500000000 ] - [ 0.0008276100000000, 0.0004752200000000, 0.0002488100000000 ] - [ -0.0003549100000000, -0.0011033100000000, -0.0003667800000000 ] - [ -0.0003629800000000, -0.0007010400000000, -0.0007290600000000 ] - [ 0.0002375000000000, -0.0001177900000000, 0.0000062300000000 ] - [ 0.0008004500000000, 0.0005127800000000, 0.0002295200000000 ] - [ 0.0048141200000000, -0.0038243900000000, 0.0055640400000000 ] - [ -0.0005933700000000, 0.0004439700000000, -0.0000005600000000 ] - [ 0.0001658900000000, 0.0000761300000000, 0.0003078500000000 ] - [ -0.0026414000000000, -0.0015818800000000, -0.0058746900000000 ] - [ -0.0016631500000000, 0.0005405200000000, 0.0007879100000000 ] - [ -0.0025759500000000, 0.0004750000000000, -0.0002220000000000 ] - [ -0.0016582700000000, 0.0005561600000000, 0.0010949200000000 ] - [ 0.0016928600000000, 0.0004021500000000, -0.0004030100000000 ] - [ 0.0024227300000000, 0.0000528400000000, -0.0001046200000000 ] - [ 0.0021903700000000, 0.0002873300000000, -0.0009523400000000 ] - [ 0.0020581300000000, 0.0003318200000000, -0.0003051800000000 ] - [ -0.0014435300000000, -0.0001445800000000, -0.0009188000000000 ] - [ 0.0011686300000000, 0.0006711100000000, 0.0001575900000000 ] - [ 0.0005665200000000, 0.0004054500000000, -0.0002804700000000 ] - [ 0.0003768800000000, 0.0005054400000000, 0.0002868100000000 ] - [ -0.0048501700000000, 0.0031567600000000, -0.0003582200000000 ] - [ 0.0012707900000000, -0.0005976500000000, 0.0003169000000000 ] - [ 0.0002890000000000, -0.0006388300000000, 0.0002678800000000 ] - [ -0.0001863400000000, -0.0004623300000000, 0.0007950200000000 ] - [ -0.0003075800000000, -0.0006313300000000, 0.0005169300000000 ] - [ 0.0005427300000000, -0.0002625600000000, 0.0003946500000000 ] - [ 0.0006916500000000, -0.0016234600000000, -0.0001258900000000 ] - [ 0.0000274200000000, -0.0003811900000000, 0.0004081000000000 ]- atom: 61 displacement: [ -0.0099996083916704, 0.0000000000000000, 0.0000884986623371 ] forces: - [ 0.0002412600000000, 0.0001834600000000, 0.0000892800000000 ] - [ -0.0004183100000000, -0.0005486500000000, 0.0022007200000000 ] - [ -0.0005339200000000, 0.0005622600000000, -0.0000476900000000 ] - [ 0.0005263500000000, 0.0000193500000000, 0.0000322900000000 ] - [ -0.0012299100000000, 0.0017861100000000, 0.0014901600000000 ] - [ 0.0011554800000000, -0.0003668300000000, -0.0004394300000000 ] - [ 0.0002373000000000, -0.0000163000000000, -0.0004993500000000 ] - [ -0.0003459800000000, -0.0000678100000000, -0.0001543500000000 ] - [ 0.0001035800000000, -0.0011262500000000, 0.0001189200000000 ] - [ 0.0002257700000000, 0.0000061100000000, 0.0005201000000000 ] - [ 0.0000416500000000, 0.0000159100000000, 0.0001012600000000 ] - [ 0.0000472800000000, -0.0001895700000000, 0.0000284000000000 ] - [ 0.0039193900000000, -0.0004597300000000, -0.0000241000000000 ] - [ 0.0020129900000000, 0.0021791400000000, 0.0020169500000000 ] - [ -0.0004720700000000, 0.0003883100000000, -0.0003210400000000 ] - [ 0.0002085200000000, 0.0000797900000000, -0.0002337800000000 ] - [ -0.0390146700000000, 0.0064806700000000, 0.0422642300000000 ] - [ 0.0033089000000000, 0.0007597000000000, -0.0006616800000000 ] - [ 0.0025128500000000, 0.0008138700000000, -0.0022981500000000 ] - [ 0.0010111900000000, 0.0005271000000000, 0.0000341900000000 ] - [ -0.0026519900000000, -0.0006113000000000, 0.0008670700000000 ] - [ 0.0000410100000000, -0.0006961800000000, 0.0007392600000000 ] - [ -0.0008042000000000, -0.0001402000000000, 0.0003654100000000 ] - [ -0.0013823000000000, 0.0000086500000000, 0.0008782400000000 ] - [ -0.0109259900000000, 0.0047333900000000, 0.0058230100000000 ] - [ 0.0029073700000000, 0.0014095000000000, -0.0000179800000000 ] - [ 0.0008269700000000, 0.0006223700000000, -0.0005339000000000 ] - [ 0.0003703600000000, 0.0003026100000000, 0.0003008700000000 ] - [ -0.0001006900000000, -0.0001755100000000, -0.0003111500000000 ] - [ -0.0010389100000000, -0.0001973600000000, 0.0001333500000000 ] - [ -0.0028026200000000, 0.0001153300000000, 0.0002598200000000 ] - [ 0.0011167700000000, 0.0004458600000000, -0.0000413600000000 ] - [ 0.0026414200000000, 0.0000887800000000, -0.0010023400000000 ] - [ 0.0024252400000000, -0.0035683800000000, 0.0000974800000000 ] - [ -0.0012774400000000, -0.0020622200000000, -0.0021191100000000 ] - [ 0.0010735100000000, -0.0002489200000000, 0.0003101800000000 ] - [ -0.0026108000000000, 0.0026059000000000, -0.0010333300000000 ] - [ 0.0025545200000000, -0.0020090200000000, 0.0003082400000000 ] - [ -0.0007410900000000, -0.0001581900000000, -0.0005189100000000 ] - [ -0.0005812800000000, -0.0002816300000000, 0.0000204200000000 ] - [ -0.0029139900000000, -0.0017417700000000, -0.0026945100000000 ] - [ 0.0033564700000000, -0.0000725300000000, -0.0004202600000000 ] - [ 0.0012948600000000, -0.0000927400000000, -0.0015065600000000 ] - [ 0.0010281000000000, 0.0001207700000000, -0.0000787400000000 ] - [ -0.0016605900000000, -0.0003915400000000, 0.0006762300000000 ] - [ -0.0006168900000000, -0.0002482400000000, 0.0010442100000000 ] - [ -0.0010822300000000, -0.0013053300000000, 0.0000973400000000 ] - [ -0.0010368700000000, -0.0000461400000000, 0.0009261100000000 ] - [ 0.0049517500000000, -0.0007635000000000, -0.0081899900000000 ] - [ -0.0010483300000000, 0.0000134600000000, -0.0002778600000000 ] - [ -0.0004102800000000, 0.0001449100000000, -0.0003016200000000 ] - [ -0.0000517400000000, 0.0000322000000000, -0.0008404200000000 ] - [ 0.0022157700000000, 0.0003913200000000, -0.0009166500000000 ] - [ -0.0012266500000000, 0.0009766500000000, -0.0003012900000000 ] - [ -0.0000824000000000, 0.0005985500000000, -0.0005055300000000 ] - [ 0.0000779800000000, 0.0005627200000000, -0.0006823900000000 ] - [ 0.0004342700000000, 0.0001310400000000, -0.0000526300000000 ] - [ -0.0010044600000000, -0.0005666200000000, -0.0000806100000000 ] - [ -0.0006089400000000, -0.0005047800000000, 0.0000621600000000 ] - [ -0.0002867900000000, -0.0003860000000000, -0.0000594500000000 ] - [ 0.0562040200000000, -0.0172471600000000, -0.0574208400000000 ] - [ -0.0026488500000000, -0.0002816400000000, 0.0003905800000000 ] - [ -0.0021603600000000, -0.0004987500000000, 0.0012403800000000 ] - [ -0.0019563100000000, -0.0004082400000000, 0.0000041400000000 ] - [ 0.0024261400000000, -0.0001276400000000, -0.0005589700000000 ] - [ 0.0018426700000000, -0.0002900800000000, -0.0003402200000000 ] - [ 0.0020529000000000, -0.0002546500000000, -0.0001290800000000 ] - [ 0.0021880900000000, -0.0002599400000000, -0.0005355600000000 ] - [ -0.0001722800000000, 0.0000428600000000, -0.0003185700000000 ] - [ 0.0001945000000000, 0.0002163600000000, -0.0005068300000000 ] - [ 0.0004931800000000, -0.0003491800000000, -0.0002196400000000 ] - [ -0.0003453100000000, 0.0000814400000000, -0.0003051200000000 ] - [ -0.0003657900000000, 0.0003283200000000, 0.0002208800000000 ] - [ 0.0005063800000000, 0.0003477100000000, 0.0000697700000000 ] - [ 0.0007014400000000, 0.0002931100000000, 0.0000961400000000 ] - [ -0.0008617200000000, -0.0001523600000000, 0.0000308700000000 ] - [ -0.0080629500000000, 0.0033898800000000, 0.0170613400000000 ] - [ -0.0004429600000000, -0.0004423600000000, -0.0000525700000000 ] - [ 0.0002744900000000, -0.0006514000000000, 0.0004658300000000 ] - [ 0.0005193900000000, -0.0005818500000000, -0.0000546400000000 ] - [ -0.0013239200000000, 0.0032101400000000, -0.0068555000000000 ] - [ -0.0001964900000000, -0.0000801600000000, 0.0002311700000000 ] - [ -0.0000111400000000, 0.0000906300000000, 0.0001590700000000 ] - [ 0.0002330000000000, 0.0000219300000000, -0.0002502100000000 ] - [ -0.0009762300000000, 0.0002555000000000, -0.0025270200000000 ] - [ -0.0018751300000000, -0.0012341200000000, -0.0000231500000000 ] - [ -0.0002964600000000, -0.0003423700000000, 0.0002964600000000 ] - [ 0.0000512600000000, -0.0001374500000000, 0.0002111300000000 ] - [ -0.0026129500000000, -0.0015320100000000, 0.0055224100000000 ] - [ -0.0016404900000000, 0.0005920600000000, 0.0009123600000000 ] - [ -0.0001328800000000, 0.0009150200000000, 0.0012350200000000 ] - [ -0.0001407700000000, 0.0005404700000000, 0.0006142000000000 ] - [ 0.0005786900000000, 0.0002720500000000, 0.0001717300000000 ] - [ -0.0005422900000000, 0.0011559500000000, 0.0003521300000000 ] - [ 0.0000212900000000, 0.0005733500000000, 0.0004571100000000 ] - [ 0.0002550800000000, 0.0004587900000000, 0.0003477800000000 ] - [ -0.0006092900000000, 0.0014850400000000, -0.0008418800000000 ] - [ -0.0006872500000000, -0.0004872500000000, -0.0006019000000000 ] - [ 0.0000406300000000, -0.0006383800000000, -0.0001695600000000 ] - [ -0.0002792400000000, -0.0003744600000000, -0.0003569900000000 ] - [ -0.0001567400000000, -0.0003134200000000, -0.0004636900000000 ] - [ 0.0002235000000000, -0.0004117200000000, -0.0007905500000000 ] - [ 0.0008363700000000, -0.0007028500000000, -0.0006454000000000 ] - [ -0.0009361600000000, -0.0003985800000000, -0.0004184500000000 ] - [ 0.0002966300000000, -0.0001516100000000, -0.0002681100000000 ] - [ -0.0000392100000000, 0.0007325500000000, -0.0002011000000000 ] - [ 0.0001482600000000, 0.0002037100000000, -0.0002154900000000 ] - [ 0.0000918100000000, 0.0002352300000000, -0.0002503000000000 ] - [ -0.0011865700000000, -0.0027561300000000, 0.0014791200000000 ] - [ -0.0021272300000000, 0.0006963200000000, -0.0002494400000000 ] - [ -0.0000228700000000, -0.0002244300000000, 0.0001354300000000 ] - [ -0.0000619200000000, -0.0002165400000000, 0.0000752000000000 ] - [ -0.0003092400000000, 0.0003808200000000, 0.0000333600000000 ] - [ -0.0012398200000000, 0.0009478000000000, -0.0004812400000000 ] - [ -0.0003060400000000, 0.0011286100000000, 0.0003200600000000 ] - [ -0.0005968700000000, 0.0005179300000000, -0.0000687300000000 ] - [ -0.0006611500000000, -0.0007681300000000, -0.0002834600000000 ] - [ 0.0005102900000000, 0.0007990500000000, 0.0003205700000000 ] - [ 0.0005232400000000, 0.0003986600000000, 0.0006798200000000 ] - [ -0.0000744600000000, -0.0001806300000000, -0.0000520500000000 ] - [ -0.0010042300000000, -0.0000989500000000, 0.0003032400000000 ] - [ -0.0049484200000000, 0.0041983700000000, -0.0049543200000000 ] - [ 0.0003788200000000, -0.0000323100000000, 0.0005285800000000 ] - [ -0.0003770200000000, 0.0003346600000000, 0.0002220300000000 ] - [ -0.0015133200000000, 0.0022433000000000, 0.0065338300000000 ] - [ -0.0025000200000000, 0.0001293200000000, -0.0000589500000000 ] - [ -0.0015478300000000, 0.0002081900000000, 0.0008810200000000 ] - [ -0.0025004200000000, 0.0001176600000000, -0.0003541200000000 ] - [ 0.0024684900000000, 0.0002704700000000, -0.0003292700000000 ] - [ 0.0017397000000000, 0.0006178100000000, -0.0006272000000000 ] - [ 0.0019741100000000, 0.0003823100000000, 0.0002190000000000 ] - [ 0.0021034300000000, 0.0003376700000000, -0.0004310000000000 ] - [ 0.0023963500000000, 0.0011024100000000, 0.0009937500000000 ] - [ -0.0002073700000000, 0.0003142900000000, -0.0000484300000000 ] - [ 0.0004112600000000, 0.0005886500000000, 0.0003810500000000 ] - [ 0.0005803800000000, 0.0004807100000000, -0.0001758900000000 ] - [ 0.0047921900000000, -0.0043088400000000, 0.0015945200000000 ] - [ -0.0013087100000000, -0.0005796700000000, 0.0009346900000000 ] - [ -0.0003222900000000, -0.0005437900000000, 0.0009802800000000 ] - [ 0.0001366600000000, -0.0007123800000000, 0.0004548900000000 ] - [ 0.0005986500000000, -0.0003189400000000, 0.0001880800000000 ] - [ -0.0002528300000000, -0.0006900800000000, 0.0003120300000000 ] - [ -0.0003994100000000, 0.0006737000000000, 0.0008355500000000 ] - [ 0.0002413700000000, -0.0005929100000000, 0.0002990800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000751500000000, 0.0000977000000000, 0.0004531400000000 ] - [ -0.0001632600000000, -0.0006698800000000, 0.0026827500000000 ] - [ 0.0000345100000000, -0.0018495000000000, -0.0002723700000000 ] - [ 0.0001269600000000, -0.0000640100000000, -0.0000001800000000 ] - [ -0.0022230300000000, 0.0002446500000000, -0.0024592400000000 ] - [ 0.0004413800000000, -0.0000430600000000, -0.0003475800000000 ] - [ -0.0004175500000000, -0.0000400000000000, -0.0000466400000000 ] - [ 0.0002398800000000, -0.0000140600000000, 0.0002648400000000 ] - [ 0.0005466900000000, -0.0012278900000000, -0.0002762100000000 ] - [ -0.0001209200000000, -0.0005967600000000, -0.0004699500000000 ] - [ 0.0000870600000000, -0.0002931200000000, 0.0005582200000000 ] - [ -0.0000029900000000, -0.0001320100000000, 0.0003082500000000 ] - [ 0.0015137800000000, 0.0006120500000000, -0.0006173200000000 ] - [ -0.0017008500000000, 0.0006996300000000, -0.0009656900000000 ] - [ -0.0003631200000000, 0.0002984600000000, 0.0002620500000000 ] - [ 0.0001567500000000, 0.0001206800000000, 0.0000150600000000 ] - [ -0.0038093900000000, 0.0315682700000000, 0.0060353900000000 ] - [ 0.0013420400000000, 0.0008384800000000, -0.0012032900000000 ] - [ 0.0016226600000000, 0.0005312300000000, -0.0007689200000000 ] - [ 0.0014054600000000, 0.0007221000000000, 0.0000309200000000 ] - [ -0.0010595800000000, -0.0032774100000000, 0.0000262300000000 ] - [ -0.0008674900000000, -0.0008947300000000, 0.0003029600000000 ] - [ -0.0011200700000000, -0.0002572500000000, 0.0010240200000000 ] - [ -0.0010533000000000, -0.0002446900000000, 0.0011618700000000 ] - [ -0.0026656200000000, 0.0112399600000000, 0.0069430900000000 ] - [ 0.0005746100000000, 0.0014444100000000, -0.0000758600000000 ] - [ 0.0003115400000000, 0.0006579600000000, 0.0001258300000000 ] - [ 0.0007100300000000, 0.0009336600000000, -0.0000487400000000 ] - [ -0.0003904500000000, 0.0000053600000000, 0.0001839000000000 ] - [ -0.0006902700000000, -0.0002404200000000, 0.0002136700000000 ] - [ -0.0006149300000000, -0.0021826800000000, 0.0005101100000000 ] - [ -0.0012187000000000, -0.0007321700000000, -0.0003928500000000 ] - [ -0.0023912500000000, 0.0003779200000000, -0.0005450800000000 ] - [ 0.0024098000000000, -0.0017695700000000, 0.0006733500000000 ] - [ -0.0001647200000000, -0.0009078900000000, -0.0011014100000000 ] - [ 0.0009260500000000, -0.0003185800000000, 0.0003483700000000 ] - [ -0.0028382000000000, -0.0018469000000000, 0.0013161300000000 ] - [ 0.0025908300000000, -0.0024775600000000, 0.0001361300000000 ] - [ -0.0003555100000000, -0.0002169500000000, -0.0001011000000000 ] - [ -0.0007331100000000, -0.0002900900000000, 0.0000985600000000 ] - [ 0.0022259900000000, 0.0042964000000000, -0.0039115900000000 ] - [ 0.0018917500000000, 0.0007889000000000, -0.0010073400000000 ] - [ 0.0014385700000000, 0.0001815400000000, 0.0011837300000000 ] - [ 0.0008932000000000, 0.0002391100000000, -0.0002163900000000 ] - [ -0.0017843200000000, -0.0006859700000000, 0.0012577700000000 ] - [ -0.0007072300000000, -0.0003723100000000, 0.0011660500000000 ] - [ -0.0012774600000000, -0.0014810900000000, 0.0003282600000000 ] - [ -0.0013959800000000, -0.0008373400000000, 0.0003290300000000 ] - [ -0.0023179400000000, -0.0019316300000000, 0.0139830100000000 ] - [ -0.0003253500000000, 0.0000876400000000, -0.0001581300000000 ] - [ -0.0003548500000000, 0.0001241100000000, -0.0005091400000000 ] - [ -0.0002857400000000, -0.0001765400000000, -0.0009925600000000 ] - [ 0.0011546100000000, 0.0025277500000000, -0.0011364000000000 ] - [ -0.0010822300000000, 0.0011826300000000, -0.0001834800000000 ] - [ -0.0000811100000000, 0.0005589900000000, -0.0006383400000000 ] - [ 0.0000400100000000, 0.0005820400000000, -0.0007237800000000 ] - [ -0.0000453800000000, 0.0007897500000000, 0.0003727300000000 ] - [ -0.0004585500000000, -0.0002544900000000, 0.0001938100000000 ] - [ -0.0004013300000000, -0.0003553400000000, -0.0001607000000000 ] - [ -0.0004020600000000, -0.0004176600000000, -0.0001439400000000 ] - [ 0.0145773600000000, -0.0403001000000000, -0.0243473400000000 ] - [ -0.0021290200000000, -0.0006018000000000, 0.0009081800000000 ] - [ -0.0019164200000000, -0.0004737500000000, 0.0000675100000000 ] - [ -0.0020106500000000, -0.0004208900000000, -0.0001334500000000 ] - [ 0.0022909900000000, 0.0004059500000000, 0.0001834600000000 ] - [ 0.0021294100000000, -0.0000065100000000, 0.0001949100000000 ] - [ 0.0021579700000000, -0.0002827900000000, -0.0007002800000000 ] - [ 0.0021517500000000, -0.0002736500000000, -0.0007899700000000 ] - [ -0.0000781500000000, 0.0000316100000000, -0.0003915100000000 ] - [ 0.0000213100000000, 0.0004243800000000, -0.0005914400000000 ] - [ -0.0001160800000000, 0.0006779100000000, -0.0005108400000000 ] - [ -0.0000049000000000, 0.0002415800000000, -0.0003289000000000 ] - [ -0.0001675700000000, 0.0002544500000000, 0.0000377900000000 ] - [ 0.0002993500000000, 0.0003415800000000, 0.0002114500000000 ] - [ -0.0000831500000000, 0.0007430400000000, 0.0000047700000000 ] - [ 0.0006855600000000, 0.0005668900000000, 0.0002166500000000 ] - [ -0.0064433300000000, -0.0021472600000000, 0.0124354800000000 ] - [ 0.0004217300000000, -0.0007775800000000, 0.0002682500000000 ] - [ 0.0006212100000000, -0.0006875500000000, 0.0000370100000000 ] - [ 0.0004082300000000, -0.0005733500000000, -0.0001003100000000 ] - [ -0.0020990300000000, 0.0038237600000000, -0.0086023800000000 ] - [ 0.0004070200000000, -0.0000952400000000, -0.0000465600000000 ] - [ 0.0002073300000000, 0.0000202100000000, 0.0000586000000000 ] - [ 0.0000975500000000, 0.0001701600000000, 0.0006493800000000 ] - [ 0.0002568100000000, -0.0050090900000000, -0.0001118000000000 ] - [ -0.0006725100000000, -0.0008663400000000, 0.0000871500000000 ] - [ -0.0000576500000000, -0.0003740600000000, 0.0002039600000000 ] - [ -0.0004747300000000, -0.0007543100000000, -0.0000206900000000 ] - [ 0.0043777400000000, 0.0019630600000000, -0.0036728900000000 ] - [ -0.0008054100000000, 0.0005008100000000, 0.0008652200000000 ] - [ -0.0000765700000000, 0.0006963600000000, 0.0008005200000000 ] - [ -0.0001980100000000, 0.0005338600000000, 0.0005594200000000 ] - [ 0.0002500000000000, 0.0016630400000000, 0.0006378900000000 ] - [ -0.0000093200000000, 0.0009437000000000, 0.0004421900000000 ] - [ 0.0001122300000000, 0.0007213900000000, 0.0002344100000000 ] - [ -0.0000316300000000, 0.0007601900000000, 0.0001563300000000 ] - [ -0.0004218900000000, -0.0009396200000000, -0.0003056800000000 ] - [ -0.0001003400000000, -0.0009405800000000, -0.0000399600000000 ] - [ -0.0005066500000000, -0.0001206400000000, -0.0005883400000000 ] - [ -0.0001272700000000, -0.0004553600000000, -0.0004500400000000 ] - [ 0.0000455600000000, -0.0002915000000000, -0.0006628500000000 ] - [ 0.0001310900000000, -0.0003730000000000, -0.0007378600000000 ] - [ 0.0001883600000000, 0.0001948100000000, -0.0008689000000000 ] - [ 0.0002122000000000, -0.0001312200000000, -0.0006955400000000 ] - [ 0.0007273600000000, 0.0012241300000000, -0.0000151500000000 ] - [ 0.0000760500000000, 0.0011405900000000, 0.0000619300000000 ] - [ 0.0000547700000000, 0.0002178200000000, -0.0003259500000000 ] - [ 0.0001347500000000, 0.0002391800000000, -0.0003255200000000 ] - [ 0.0011979700000000, 0.0002645500000000, -0.0003690800000000 ] - [ -0.0029623300000000, 0.0005736400000000, 0.0005226100000000 ] - [ -0.0001597700000000, -0.0002455000000000, -0.0000516300000000 ] - [ 0.0000227300000000, -0.0002056400000000, -0.0001007800000000 ] - [ -0.0002724500000000, 0.0005129600000000, -0.0002416100000000 ] - [ -0.0013388300000000, 0.0010001400000000, -0.0005274900000000 ] - [ -0.0007390800000000, 0.0010249000000000, 0.0001148100000000 ] - [ -0.0003952600000000, 0.0005533400000000, -0.0000037000000000 ] - [ 0.0010417200000000, 0.0007234500000000, 0.0007196300000000 ] - [ -0.0003453700000000, 0.0003815800000000, -0.0000036100000000 ] - [ 0.0003371300000000, 0.0001246400000000, 0.0002120500000000 ] - [ -0.0000088700000000, -0.0001532400000000, -0.0002476100000000 ] - [ 0.0004155200000000, -0.0015050000000000, 0.0008847700000000 ] - [ -0.0029277400000000, 0.0003145200000000, -0.0018775800000000 ] - [ 0.0001490500000000, -0.0000386900000000, 0.0003138200000000 ] - [ -0.0002849600000000, 0.0002983800000000, 0.0001197100000000 ] - [ -0.0021924600000000, 0.0004192700000000, 0.0026135300000000 ] - [ -0.0023004300000000, 0.0001331000000000, 0.0002177400000000 ] - [ -0.0001800500000000, 0.0004284100000000, -0.0028880200000000 ] - [ -0.0022889400000000, 0.0001338500000000, -0.0000893900000000 ] - [ 0.0021429200000000, 0.0007455800000000, -0.0007509300000000 ] - [ 0.0017941400000000, 0.0006620200000000, -0.0006161500000000 ] - [ 0.0020345300000000, 0.0005043700000000, -0.0001882900000000 ] - [ 0.0020769900000000, 0.0004101100000000, -0.0003162300000000 ] - [ -0.0010094900000000, 0.0006974100000000, 0.0054118100000000 ] - [ 0.0002644800000000, 0.0003270600000000, 0.0000304200000000 ] - [ 0.0011040700000000, 0.0007069100000000, -0.0006384100000000 ] - [ 0.0004392700000000, 0.0004315900000000, -0.0001373600000000 ] - [ 0.0020495200000000, -0.0025609000000000, -0.0022013300000000 ] - [ -0.0003314500000000, -0.0008591800000000, 0.0006144800000000 ] - [ 0.0002065000000000, -0.0009428400000000, 0.0005340800000000 ] - [ 0.0000949400000000, -0.0007552500000000, 0.0006742200000000 ] - [ 0.0005363700000000, -0.0001854600000000, -0.0000669000000000 ] - [ -0.0001924800000000, -0.0006627600000000, 0.0002074000000000 ] - [ 0.0000091200000000, 0.0002527800000000, 0.0007015700000000 ] - [ 0.0006240900000000, 0.0002338400000000, 0.0004501500000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000186200000000, -0.0000670300000000, 0.0000016500000000 ] - [ 0.0002551800000000, 0.0006986400000000, -0.0022133700000000 ] - [ 0.0000588500000000, 0.0019136400000000, 0.0007382900000000 ] - [ -0.0000348700000000, 0.0000944000000000, 0.0004511300000000 ] - [ 0.0021312400000000, -0.0002099300000000, 0.0020143600000000 ] - [ -0.0005396000000000, 0.0000746800000000, -0.0001042400000000 ] - [ 0.0003185400000000, 0.0000690800000000, -0.0004049900000000 ] - [ -0.0003286700000000, 0.0000405600000000, -0.0007143400000000 ] - [ -0.0004580600000000, 0.0012028100000000, 0.0007253100000000 ] - [ 0.0002167200000000, 0.0005639800000000, 0.0009178100000000 ] - [ 0.0000070800000000, 0.0002601700000000, -0.0001021100000000 ] - [ 0.0000961600000000, 0.0001019600000000, 0.0001469300000000 ] - [ -0.0016428900000000, -0.0006389400000000, 0.0001561900000000 ] - [ 0.0016390300000000, -0.0007295300000000, 0.0005054300000000 ] - [ 0.0002699700000000, -0.0003296500000000, -0.0007106000000000 ] - [ -0.0002497200000000, -0.0001511000000000, -0.0004631100000000 ] - [ 0.0062707800000000, -0.0317761700000000, -0.0083718400000000 ] - [ 0.0009453500000000, -0.0007899400000000, -0.0002630500000000 ] - [ 0.0006561600000000, -0.0004856700000000, -0.0006765900000000 ] - [ 0.0008845000000000, -0.0006702600000000, -0.0014821700000000 ] - [ -0.0012204200000000, 0.0033212700000000, 0.0014257000000000 ] - [ -0.0014189900000000, 0.0009418200000000, 0.0011520900000000 ] - [ -0.0011680900000000, 0.0003055100000000, 0.0004426300000000 ] - [ -0.0012310900000000, 0.0002928700000000, 0.0003059200000000 ] - [ 0.0036451400000000, -0.0104483700000000, -0.0069962500000000 ] - [ 0.0005745800000000, -0.0007932400000000, 0.0001159100000000 ] - [ 0.0008347500000000, -0.0000060100000000, -0.0000745000000000 ] - [ 0.0004478200000000, -0.0002820300000000, 0.0001053900000000 ] - [ -0.0007607400000000, 0.0006481900000000, -0.0002228900000000 ] - [ -0.0004562900000000, 0.0008921000000000, -0.0002531200000000 ] - [ -0.0005355900000000, 0.0028384300000000, -0.0005813500000000 ] - [ 0.0000697300000000, 0.0013835200000000, 0.0003420600000000 ] - [ 0.0035045700000000, -0.0010563800000000, 0.0005990200000000 ] - [ -0.0012608300000000, 0.0011028300000000, -0.0006379000000000 ] - [ 0.0013194200000000, 0.0002615600000000, 0.0011548100000000 ] - [ 0.0002260400000000, -0.0003332800000000, -0.0002983800000000 ] - [ 0.0016707000000000, 0.0011965800000000, -0.0013603800000000 ] - [ -0.0037223300000000, 0.0018188600000000, -0.0001859200000000 ] - [ -0.0007972500000000, -0.0004322200000000, 0.0000617100000000 ] - [ -0.0004157100000000, -0.0003615000000000, -0.0001393400000000 ] - [ 0.0000265200000000, -0.0042697400000000, 0.0025748600000000 ] - [ 0.0004012200000000, -0.0008358100000000, -0.0004548400000000 ] - [ 0.0008422300000000, -0.0002310600000000, -0.0025957400000000 ] - [ 0.0013950100000000, -0.0002893700000000, -0.0012417700000000 ] - [ -0.0005056800000000, 0.0006351500000000, 0.0002086300000000 ] - [ -0.0015764500000000, 0.0003232400000000, 0.0002992700000000 ] - [ -0.0010128600000000, 0.0014438700000000, 0.0011289200000000 ] - [ -0.0008808100000000, 0.0007997700000000, 0.0011327000000000 ] - [ 0.0020785200000000, 0.0028780300000000, -0.0145317200000000 ] - [ 0.0000411000000000, 0.0008645200000000, -0.0005460400000000 ] - [ 0.0000691100000000, 0.0008264700000000, -0.0001987300000000 ] - [ -0.0000019500000000, 0.0011229700000000, 0.0002817500000000 ] - [ -0.0011096500000000, -0.0013387400000000, -0.0001137400000000 ] - [ 0.0011130000000000, -0.0000058900000000, -0.0010605100000000 ] - [ 0.0001191200000000, 0.0006137600000000, -0.0006111800000000 ] - [ -0.0000041400000000, 0.0005913800000000, -0.0005261000000000 ] - [ -0.0009101600000000, -0.0017783300000000, -0.0004804100000000 ] - [ -0.0004943100000000, -0.0007303200000000, -0.0003005500000000 ] - [ -0.0005495600000000, -0.0006282600000000, 0.0000496100000000 ] - [ -0.0005512000000000, -0.0005679200000000, 0.0000330600000000 ] - [ -0.0185683800000000, 0.0396411100000000, 0.0258140000000000 ] - [ -0.0020286800000000, -0.0000743900000000, -0.0001862800000000 ] - [ -0.0022373000000000, -0.0002016500000000, 0.0006358100000000 ] - [ -0.0021482700000000, -0.0002527300000000, 0.0008416000000000 ] - [ 0.0018647600000000, -0.0010808500000000, -0.0008881200000000 ] - [ 0.0020279500000000, -0.0006674900000000, -0.0009032000000000 ] - [ 0.0020002100000000, -0.0003928400000000, -0.0000212700000000 ] - [ 0.0020056000000000, -0.0004017400000000, 0.0000679000000000 ] - [ 0.0002887900000000, -0.0004464800000000, -0.0001412700000000 ] - [ 0.0001889500000000, -0.0008354800000000, 0.0000565400000000 ] - [ 0.0003276300000000, -0.0010956300000000, -0.0000179400000000 ] - [ 0.0002165900000000, -0.0006576600000000, -0.0002018800000000 ] - [ 0.0000046000000000, 0.0000460000000000, 0.0000037300000000 ] - [ -0.0004640500000000, -0.0000408700000000, -0.0001695400000000 ] - [ -0.0000833500000000, -0.0004299300000000, 0.0000452200000000 ] - [ -0.0008518100000000, -0.0002655000000000, -0.0001703900000000 ] - [ 0.0072995000000000, 0.0011526300000000, -0.0122425800000000 ] - [ 0.0005286300000000, -0.0002071700000000, -0.0001571400000000 ] - [ 0.0003337200000000, -0.0002969300000000, 0.0000677400000000 ] - [ 0.0005437800000000, -0.0004124500000000, 0.0002069500000000 ] - [ 0.0022291000000000, -0.0034647400000000, 0.0084631900000000 ] - [ -0.0002419400000000, 0.0003957000000000, 0.0000023600000000 ] - [ -0.0000416700000000, 0.0002800100000000, -0.0001040900000000 ] - [ 0.0000659300000000, 0.0001290700000000, -0.0007029300000000 ] - [ -0.0004744800000000, 0.0045458400000000, 0.0006311000000000 ] - [ 0.0004666000000000, 0.0004529700000000, 0.0004465300000000 ] - [ -0.0001522900000000, -0.0000428200000000, 0.0003275000000000 ] - [ 0.0002592600000000, 0.0003352800000000, 0.0005482700000000 ] - [ -0.0044427900000000, -0.0007901500000000, 0.0049563500000000 ] - [ 0.0007660800000000, 0.0006741900000000, 0.0003844400000000 ] - [ 0.0000418400000000, 0.0004770100000000, 0.0004426700000000 ] - [ 0.0001608400000000, 0.0006406800000000, 0.0006861500000000 ] - [ 0.0000329100000000, -0.0007128000000000, 0.0000690200000000 ] - [ 0.0002978800000000, 0.0000058200000000, 0.0002653200000000 ] - [ 0.0001733700000000, 0.0002316300000000, 0.0004701300000000 ] - [ 0.0003146700000000, 0.0001942700000000, 0.0005478900000000 ] - [ 0.0001404300000000, -0.0000184500000000, -0.0004020900000000 ] - [ -0.0001881500000000, -0.0000124800000000, -0.0006646600000000 ] - [ 0.0002170500000000, -0.0008242500000000, -0.0001218100000000 ] - [ -0.0001580800000000, -0.0004953700000000, -0.0002570100000000 ] - [ -0.0000080600000000, -0.0008828600000000, -0.0005865200000000 ] - [ -0.0000956600000000, -0.0008006700000000, -0.0005106700000000 ] - [ -0.0001538300000000, -0.0013696300000000, -0.0003746600000000 ] - [ -0.0001797500000000, -0.0010449900000000, -0.0005499800000000 ] - [ -0.0005110500000000, -0.0008061100000000, -0.0005150200000000 ] - [ 0.0001325700000000, -0.0007218100000000, -0.0005914500000000 ] - [ 0.0001566100000000, 0.0001970700000000, -0.0002079300000000 ] - [ 0.0000764500000000, 0.0001762700000000, -0.0002081000000000 ] - [ -0.0013577900000000, -0.0005681600000000, 0.0004221400000000 ] - [ 0.0027792700000000, -0.0008753600000000, -0.0004613600000000 ] - [ -0.0000037500000000, -0.0000558200000000, 0.0000927200000000 ] - [ -0.0001864500000000, -0.0000947600000000, 0.0001422000000000 ] - [ -0.0006788800000000, 0.0004721800000000, 0.0001315700000000 ] - [ 0.0003811800000000, -0.0000131300000000, 0.0004160000000000 ] - [ -0.0002072000000000, -0.0000496500000000, -0.0002248700000000 ] - [ -0.0005609100000000, 0.0004315000000000, -0.0001049000000000 ] - [ -0.0008795200000000, -0.0010248100000000, -0.0007594000000000 ] - [ 0.0005162900000000, -0.0006821800000000, -0.0000299800000000 ] - [ -0.0001735900000000, -0.0004275400000000, -0.0002602900000000 ] - [ 0.0001731500000000, -0.0001484900000000, 0.0001992300000000 ] - [ -0.0006241900000000, 0.0019297600000000, -0.0003537500000000 ] - [ 0.0027125700000000, 0.0001355300000000, 0.0024082700000000 ] - [ -0.0003612900000000, 0.0004537100000000, 0.0002160400000000 ] - [ 0.0000742200000000, 0.0001170700000000, 0.0004104500000000 ] - [ -0.0019646000000000, 0.0002486900000000, -0.0019424300000000 ] - [ -0.0018582800000000, 0.0005409700000000, 0.0004949500000000 ] - [ -0.0039473800000000, 0.0002576200000000, 0.0035476800000000 ] - [ -0.0018686600000000, 0.0005417000000000, 0.0008060800000000 ] - [ 0.0020166100000000, -0.0000702800000000, 0.0000323300000000 ] - [ 0.0023624400000000, 0.0000140600000000, -0.0001013300000000 ] - [ 0.0021251100000000, 0.0001688700000000, -0.0005301100000000 ] - [ 0.0020806700000000, 0.0002637700000000, -0.0004032900000000 ] - [ 0.0019458600000000, 0.0002701500000000, -0.0053447300000000 ] - [ 0.0006873700000000, 0.0006570600000000, 0.0000776400000000 ] - [ -0.0001392000000000, 0.0002834900000000, 0.0007409400000000 ] - [ 0.0005116600000000, 0.0005532700000000, 0.0002452600000000 ] - [ -0.0020744600000000, 0.0013912700000000, 0.0034554400000000 ] - [ 0.0002951500000000, -0.0003152300000000, 0.0006328600000000 ] - [ -0.0002376700000000, -0.0002347800000000, 0.0007094100000000 ] - [ -0.0001355500000000, -0.0004182600000000, 0.0005709800000000 ] - [ -0.0002480200000000, -0.0007656800000000, 0.0007705600000000 ] - [ 0.0004760900000000, -0.0002907300000000, 0.0004975300000000 ] - [ 0.0002815700000000, -0.0012089400000000, 0.0000047000000000 ] - [ -0.0003533300000000, -0.0012013800000000, 0.0002541900000000 ]- atom: 61 displacement: [ -0.0045611250918810, 0.0000000000000000, 0.0088992211960493 ] forces: - [ 0.0003489400000000, 0.0001719800000000, -0.0004127000000000 ] - [ -0.0004346500000000, 0.0007312300000000, -0.0021822700000000 ] - [ -0.0002543500000000, -0.0060767900000000, -0.0021877200000000 ] - [ 0.0006679300000000, 0.0001912900000000, 0.0003927700000000 ] - [ -0.0040628700000000, -0.0033039800000000, -0.0002900900000000 ] - [ 0.0023294300000000, -0.0008043300000000, -0.0000884000000000 ] - [ 0.0012450000000000, 0.0002102500000000, -0.0012288100000000 ] - [ -0.0012912600000000, 0.0007086300000000, -0.0015765800000000 ] - [ 0.0002557800000000, -0.0017487500000000, 0.0026330700000000 ] - [ -0.0000217900000000, 0.0004325900000000, 0.0023640800000000 ] - [ 0.0000373200000000, 0.0005893500000000, -0.0012815400000000 ] - [ 0.0000673000000000, -0.0002894800000000, -0.0013206700000000 ] - [ 0.0089218600000000, -0.0017675200000000, 0.0022871500000000 ] - [ -0.0050616600000000, 0.0006462800000000, 0.0044042300000000 ] - [ -0.0003517600000000, 0.0007746300000000, -0.0025081200000000 ] - [ 0.0001179000000000, 0.0001090800000000, -0.0014562800000000 ] - [ -0.0532107900000000, 0.0179961300000000, 0.2323352200000000 ] - [ 0.0024244900000000, -0.0001001000000000, 0.0014114000000000 ] - [ 0.0046470000000000, 0.0017874600000000, -0.0062676300000000 ] - [ -0.0003319900000000, -0.0004633900000000, -0.0034140700000000 ] - [ -0.0026706100000000, 0.0004748300000000, 0.0041928800000000 ] - [ -0.0001782500000000, 0.0000432000000000, 0.0027730600000000 ] - [ -0.0002015100000000, -0.0001749700000000, -0.0015320100000000 ] - [ -0.0016390200000000, -0.0000139200000000, -0.0014034000000000 ] - [ -0.0166657100000000, 0.0146048400000000, -0.0060921100000000 ] - [ 0.0033206300000000, 0.0020849800000000, 0.0023033200000000 ] - [ 0.0016279000000000, 0.0007722900000000, -0.0024504900000000 ] - [ -0.0015918700000000, 0.0004452200000000, -0.0033819900000000 ] - [ 0.0003767400000000, -0.0009288500000000, -0.0019168900000000 ] - [ -0.0025014200000000, -0.0011063700000000, -0.0016587500000000 ] - [ -0.0015624600000000, 0.0033208900000000, 0.0029050900000000 ] - [ 0.0012612900000000, 0.0017582300000000, 0.0014190500000000 ] - [ 0.0072957700000000, 0.0027871800000000, -0.0007326100000000 ] - [ -0.0010670200000000, 0.0019496600000000, 0.0004654600000000 ] - [ -0.0023554400000000, -0.0044529800000000, -0.0065155600000000 ] - [ 0.0004495900000000, -0.0006015400000000, -0.0011978700000000 ] - [ 0.0011206800000000, 0.0037771600000000, 0.0011426700000000 ] - [ -0.0023554000000000, 0.0010425600000000, 0.0011624000000000 ] - [ -0.0000880500000000, -0.0007515200000000, -0.0021026200000000 ] - [ -0.0012504200000000, -0.0002756800000000, -0.0014069300000000 ] - [ 0.0062663800000000, -0.0091553500000000, -0.0078487800000000 ] - [ -0.0005140700000000, -0.0011147800000000, 0.0005346300000000 ] - [ 0.0024538000000000, 0.0000366200000000, -0.0102787800000000 ] - [ 0.0005277400000000, 0.0005979000000000, -0.0021040300000000 ] - [ -0.0004520600000000, 0.0005288500000000, -0.0005100200000000 ] - [ -0.0013847200000000, -0.0000783500000000, 0.0001044600000000 ] - [ 0.0000553000000000, -0.0021568200000000, 0.0006939300000000 ] - [ -0.0030460300000000, -0.0013622100000000, 0.0006075000000000 ] - [ 0.0099921800000000, 0.0109405200000000, -0.0012454600000000 ] - [ -0.0012785700000000, 0.0001657300000000, -0.0008278500000000 ] - [ -0.0004330900000000, 0.0001329700000000, 0.0002009300000000 ] - [ 0.0007363200000000, 0.0011901000000000, 0.0007674900000000 ] - [ -0.0002525300000000, -0.0007692500000000, -0.0021932400000000 ] - [ 0.0002930800000000, 0.0000144600000000, -0.0013194900000000 ] - [ -0.0004365100000000, 0.0009061700000000, 0.0000929700000000 ] - [ 0.0003253100000000, 0.0007863100000000, -0.0001482700000000 ] - [ 0.0005142200000000, 0.0001711300000000, -0.0012353600000000 ] - [ -0.0009986200000000, -0.0008207700000000, -0.0008648200000000 ] - [ -0.0009818700000000, -0.0007149700000000, 0.0007324000000000 ] - [ -0.0001629100000000, -0.0002462200000000, 0.0006927400000000 ] - [ 0.0750635900000000, -0.0309327800000000, -0.2610940900000000 ] - [ -0.0023806800000000, 0.0001672300000000, -0.0021872900000000 ] - [ -0.0028639100000000, -0.0006660900000000, 0.0045276000000000 ] - [ -0.0016832300000000, -0.0008071400000000, 0.0026150100000000 ] - [ 0.0023856000000000, -0.0007204000000000, -0.0035197200000000 ] - [ 0.0019308000000000, -0.0008069100000000, -0.0025357500000000 ] - [ 0.0018698800000000, -0.0000036900000000, 0.0016418500000000 ] - [ 0.0022913000000000, 0.0000732400000000, 0.0014155500000000 ] - [ -0.0002044200000000, 0.0001408400000000, -0.0001315000000000 ] - [ 0.0003664700000000, -0.0002954100000000, 0.0000493400000000 ] - [ 0.0005713000000000, -0.0005529700000000, -0.0003473300000000 ] - [ -0.0003061500000000, -0.0002691200000000, -0.0003450300000000 ] - [ -0.0005714000000000, 0.0006481900000000, 0.0008599800000000 ] - [ 0.0012620300000000, 0.0013273400000000, 0.0014459100000000 ] - [ 0.0007011500000000, -0.0019111300000000, -0.0004048300000000 ] - [ -0.0012609500000000, -0.0004682800000000, -0.0002861400000000 ] - [ -0.0179791200000000, 0.0082629800000000, 0.0042820700000000 ] - [ 0.0005946600000000, -0.0003139600000000, -0.0008642600000000 ] - [ -0.0005201900000000, -0.0007078800000000, 0.0016558500000000 ] - [ 0.0007948300000000, -0.0006859900000000, 0.0008372100000000 ] - [ 0.0030073200000000, -0.0040933100000000, 0.0054836400000000 ] - [ -0.0002854700000000, -0.0001474800000000, -0.0001117500000000 ] - [ -0.0002505800000000, 0.0001405400000000, 0.0005779900000000 ] - [ 0.0003653100000000, 0.0003180800000000, 0.0024320900000000 ] - [ 0.0050914600000000, 0.0004095600000000, 0.0020946400000000 ] - [ -0.0037972400000000, -0.0023531900000000, -0.0006755900000000 ] - [ -0.0004784200000000, -0.0001930200000000, 0.0006254500000000 ] - [ 0.0008563900000000, 0.0004404500000000, 0.0018203500000000 ] - [ -0.0066656600000000, -0.0050525100000000, 0.0038000400000000 ] - [ 0.0007078500000000, 0.0004624400000000, -0.0001116800000000 ] - [ -0.0008856900000000, 0.0009600100000000, 0.0025350900000000 ] - [ 0.0001942700000000, 0.0005655400000000, 0.0011041400000000 ] - [ 0.0005700000000000, 0.0010829900000000, -0.0007699600000000 ] - [ -0.0012342100000000, 0.0016808500000000, -0.0003256200000000 ] - [ 0.0000076900000000, 0.0002044400000000, 0.0010549800000000 ] - [ 0.0008446000000000, -0.0002840100000000, 0.0010381200000000 ] - [ -0.0030916700000000, 0.0064313200000000, -0.0024253000000000 ] - [ 0.0002392300000000, 0.0003876900000000, -0.0011739500000000 ] - [ 0.0010281000000000, -0.0021838500000000, 0.0009780200000000 ] - [ 0.0000711600000000, -0.0009910200000000, 0.0002521400000000 ] - [ -0.0007564300000000, -0.0001987700000000, 0.0000763500000000 ] - [ 0.0006828500000000, -0.0003329000000000, -0.0005772700000000 ] - [ 0.0006087100000000, -0.0012005100000000, -0.0008560800000000 ] - [ -0.0000961300000000, -0.0005372500000000, -0.0006249100000000 ] - [ -0.0005784100000000, -0.0010688700000000, -0.0011745500000000 ] - [ 0.0002077000000000, -0.0004541700000000, -0.0010217100000000 ] - [ 0.0002274300000000, 0.0005808400000000, 0.0003095600000000 ] - [ 0.0002502100000000, 0.0005285400000000, 0.0002569400000000 ] - [ -0.0009820100000000, -0.0016814700000000, -0.0018105000000000 ] - [ 0.0017675900000000, 0.0000218500000000, -0.0029380100000000 ] - [ -0.0001953400000000, -0.0001366200000000, 0.0011050700000000 ] - [ -0.0000656100000000, -0.0004451900000000, 0.0011055800000000 ] - [ -0.0006922000000000, 0.0003119700000000, 0.0003121400000000 ] - [ 0.0002383400000000, 0.0001588400000000, 0.0002689200000000 ] - [ -0.0018341100000000, 0.0025879900000000, 0.0005272800000000 ] - [ 0.0002256200000000, 0.0003554600000000, 0.0000332500000000 ] - [ -0.0020384400000000, -0.0021932700000000, -0.0020278100000000 ] - [ 0.0001713100000000, -0.0006448700000000, -0.0018891500000000 ] - [ 0.0009224900000000, 0.0012025400000000, 0.0024203600000000 ] - [ 0.0000142500000000, 0.0000266900000000, 0.0010456100000000 ] - [ -0.0025010100000000, -0.0003275500000000, -0.0002955300000000 ] - [ 0.0031623500000000, -0.0023400200000000, -0.0005896900000000 ] - [ 0.0007329800000000, -0.0000671600000000, 0.0014488500000000 ] - [ -0.0002870100000000, 0.0001630900000000, 0.0007865800000000 ] - [ -0.0022180500000000, 0.0040426800000000, 0.0143543300000000 ] - [ -0.0016199300000000, 0.0006450000000000, 0.0008390500000000 ] - [ -0.0072649300000000, -0.0017456200000000, 0.0119048900000000 ] - [ -0.0018919600000000, 0.0003618100000000, 0.0006929100000000 ] - [ 0.0022215400000000, -0.0000365700000000, -0.0003052100000000 ] - [ 0.0021560200000000, 0.0002403900000000, -0.0005054900000000 ] - [ 0.0015210600000000, 0.0005155300000000, 0.0010861600000000 ] - [ 0.0021551000000000, 0.0003820100000000, 0.0007628800000000 ] - [ -0.0011553200000000, 0.0049191200000000, 0.0080668700000000 ] - [ 0.0004238700000000, 0.0008227100000000, 0.0000259200000000 ] - [ -0.0022787800000000, -0.0006766200000000, 0.0019340500000000 ] - [ 0.0009581500000000, 0.0005004900000000, 0.0004352100000000 ] - [ 0.0023725200000000, -0.0080670800000000, 0.0085975400000000 ] - [ -0.0010891900000000, -0.0008006100000000, 0.0006645400000000 ] - [ -0.0015092800000000, 0.0002793300000000, 0.0019877700000000 ] - [ 0.0010927000000000, -0.0007316600000000, 0.0012717100000000 ] - [ -0.0000237200000000, -0.0010331900000000, 0.0012481500000000 ] - [ 0.0002169600000000, -0.0002835000000000, 0.0007236500000000 ] - [ -0.0012525700000000, 0.0011095200000000, 0.0006329600000000 ] - [ 0.0030540600000000, 0.0023816400000000, 0.0004368900000000 ]- atom: 61 displacement: [ 0.0045611250918810, 0.0000000000000000, -0.0088992211960493 ] forces: - [ -0.0002575800000000, -0.0001445300000000, 0.0008630500000000 ] - [ 0.0005357300000000, -0.0006919100000000, 0.0025970100000000 ] - [ 0.0003502500000000, 0.0060927000000000, 0.0026340300000000 ] - [ -0.0005729800000000, -0.0001610900000000, 0.0000630400000000 ] - [ 0.0039806400000000, 0.0033096400000000, -0.0002089300000000 ] - [ -0.0024364500000000, 0.0008427400000000, -0.0003666300000000 ] - [ -0.0013379000000000, -0.0001780900000000, 0.0007823200000000 ] - [ 0.0011933300000000, -0.0006711000000000, 0.0011260500000000 ] - [ -0.0001561800000000, 0.0017250100000000, -0.0021951100000000 ] - [ 0.0001104900000000, -0.0004625700000000, -0.0019107300000000 ] - [ 0.0000555300000000, -0.0006184100000000, 0.0017330800000000 ] - [ 0.0000266700000000, 0.0002596200000000, 0.0017788700000000 ] - [ -0.0089779300000000, 0.0017468400000000, -0.0027271700000000 ] - [ 0.0049873300000000, -0.0006488100000000, -0.0048290000000000 ] - [ 0.0002682000000000, -0.0008154000000000, 0.0020595200000000 ] - [ -0.0002162200000000, -0.0001423800000000, 0.0010023500000000 ] - [ 0.0529063100000000, -0.0167245600000000, -0.2193221200000000 ] - [ -0.0001289000000000, 0.0001552200000000, -0.0028715500000000 ] - [ -0.0023921400000000, -0.0017597100000000, 0.0048408600000000 ] - [ 0.0026215400000000, 0.0005014200000000, 0.0019430900000000 ] - [ 0.0003843600000000, -0.0004151000000000, -0.0027285900000000 ] - [ -0.0021122400000000, 0.0000083600000000, -0.0013146700000000 ] - [ -0.0020843000000000, 0.0002215100000000, 0.0029951300000000 ] - [ -0.0006450800000000, 0.0000590000000000, 0.0028644500000000 ] - [ 0.0179140700000000, -0.0140316300000000, 0.0059348500000000 ] - [ -0.0021863900000000, -0.0014577200000000, -0.0022671200000000 ] - [ -0.0004701200000000, -0.0001237100000000, 0.0025036300000000 ] - [ 0.0027344600000000, 0.0002006400000000, 0.0034241700000000 ] - [ -0.0015362000000000, 0.0015899800000000, 0.0018728600000000 ] - [ 0.0013583000000000, 0.0017703600000000, 0.0016102100000000 ] - [ 0.0004016700000000, -0.0026840600000000, -0.0029324100000000 ] - [ -0.0024074600000000, -0.0011110700000000, -0.0014623900000000 ] - [ -0.0061298600000000, -0.0034319600000000, 0.0007629800000000 ] - [ 0.0022407000000000, -0.0026264600000000, -0.0004188700000000 ] - [ 0.0035439100000000, 0.0038410000000000, 0.0066127800000000 ] - [ 0.0006932200000000, -0.0000499000000000, 0.0012369900000000 ] - [ -0.0022458100000000, -0.0044444600000000, -0.0012219500000000 ] - [ 0.0011582700000000, -0.0016804000000000, -0.0012069800000000 ] - [ -0.0010637300000000, 0.0000954200000000, 0.0020573100000000 ] - [ 0.0001019500000000, -0.0003784700000000, 0.0013642400000000 ] - [ -0.0038171900000000, 0.0091939000000000, 0.0063188400000000 ] - [ 0.0027792600000000, 0.0010722400000000, -0.0020004400000000 ] - [ -0.0001646200000000, -0.0000789900000000, 0.0088468800000000 ] - [ 0.0017586800000000, -0.0006443300000000, 0.0006533300000000 ] - [ -0.0018245200000000, -0.0005716300000000, 0.0019637600000000 ] - [ -0.0009103500000000, 0.0000361300000000, 0.0013525200000000 ] - [ -0.0023449900000000, 0.0020893500000000, 0.0007704600000000 ] - [ 0.0007588400000000, 0.0013068400000000, 0.0008568100000000 ] - [ -0.0101460700000000, -0.0098837000000000, 0.0004194900000000 ] - [ 0.0009876700000000, 0.0007805200000000, 0.0001189900000000 ] - [ 0.0001526100000000, 0.0008261100000000, -0.0009063700000000 ] - [ -0.0010254500000000, -0.0002315700000000, -0.0014659300000000 ] - [ 0.0002600000000000, 0.0019286200000000, 0.0009572000000000 ] - [ -0.0002426300000000, 0.0011579300000000, 0.0000653700000000 ] - [ 0.0004762100000000, 0.0002691800000000, -0.0013428900000000 ] - [ -0.0002867400000000, 0.0003891100000000, -0.0011015900000000 ] - [ -0.0014704400000000, -0.0011551300000000, 0.0011307300000000 ] - [ 0.0000480500000000, -0.0001656800000000, 0.0007562500000000 ] - [ 0.0000284800000000, -0.0002703600000000, -0.0008419700000000 ] - [ -0.0007936200000000, -0.0007401600000000, -0.0008023100000000 ] - [ -0.0766908700000000, 0.0288696900000000, 0.2480314800000000 ] - [ -0.0017754300000000, -0.0008433500000000, 0.0029072100000000 ] - [ -0.0012939700000000, -0.0000054200000000, -0.0038279700000000 ] - [ -0.0024746900000000, 0.0001328900000000, -0.0018953900000000 ] - [ 0.0017742500000000, 0.0000465800000000, 0.0027959000000000 ] - [ 0.0022275200000000, 0.0001323400000000, 0.0018182900000000 ] - [ 0.0022872100000000, -0.0006720000000000, -0.0023595100000000 ] - [ 0.0018649600000000, -0.0007488700000000, -0.0021308200000000 ] - [ 0.0004198700000000, -0.0005599400000000, -0.0003984600000000 ] - [ -0.0001558700000000, -0.0001279100000000, -0.0005754600000000 ] - [ -0.0003613700000000, 0.0001458500000000, -0.0001886200000000 ] - [ 0.0005139500000000, -0.0001401400000000, -0.0001893100000000 ] - [ 0.0004104600000000, -0.0003507300000000, -0.0008178500000000 ] - [ -0.0014400000000000, -0.0010315800000000, -0.0014039100000000 ] - [ -0.0008590300000000, 0.0022104900000000, 0.0004403200000000 ] - [ 0.0010983300000000, 0.0007698100000000, 0.0003272600000000 ] - [ 0.0186602800000000, -0.0090596100000000, -0.0041156300000000 ] - [ 0.0003558900000000, -0.0006743500000000, 0.0009732800000000 ] - [ 0.0014773200000000, -0.0002725800000000, -0.0015570400000000 ] - [ 0.0001599300000000, -0.0002997100000000, -0.0007263800000000 ] - [ -0.0028077500000000, 0.0043386500000000, -0.0053948900000000 ] - [ 0.0004492400000000, 0.0004521900000000, 0.0000693200000000 ] - [ 0.0004135400000000, 0.0001611100000000, -0.0006243500000000 ] - [ -0.0001993800000000, -0.0000184000000000, -0.0024765100000000 ] - [ -0.0053377600000000, -0.0008093400000000, -0.0015308200000000 ] - [ 0.0036253800000000, 0.0019581500000000, 0.0012173700000000 ] - [ 0.0002645500000000, -0.0002245600000000, -0.0000958700000000 ] - [ -0.0010640700000000, -0.0008522700000000, -0.0012793100000000 ] - [ 0.0065970100000000, 0.0062010300000000, -0.0025149900000000 ] - [ -0.0007622900000000, 0.0007118600000000, 0.0013663500000000 ] - [ 0.0008544600000000, 0.0002060500000000, -0.0013024000000000 ] - [ -0.0002301200000000, 0.0006095400000000, 0.0001453700000000 ] - [ -0.0002820700000000, -0.0001305000000000, 0.0014795400000000 ] - [ 0.0015243200000000, -0.0007361200000000, 0.0010344200000000 ] - [ 0.0002783900000000, 0.0007462600000000, -0.0003506900000000 ] - [ -0.0005579700000000, 0.0012352500000000, -0.0003328200000000 ] - [ 0.0028207000000000, -0.0074776900000000, 0.0017720100000000 ] - [ -0.0005147100000000, -0.0013398600000000, 0.0004702600000000 ] - [ -0.0013109000000000, 0.0012269400000000, -0.0016818400000000 ] - [ -0.0003594500000000, 0.0000426200000000, -0.0009625100000000 ] - [ 0.0007980000000000, -0.0009816700000000, -0.0013262500000000 ] - [ -0.0006474900000000, -0.0008455200000000, -0.0006694500000000 ] - [ -0.0005637300000000, 0.0000314500000000, -0.0003980400000000 ] - [ 0.0001321300000000, -0.0006313900000000, -0.0006251300000000 ] - [ 0.0007838500000000, 0.0014831300000000, 0.0006465800000000 ] - [ 0.0000100500000000, 0.0008673800000000, 0.0004884000000000 ] - [ -0.0000151300000000, -0.0001641000000000, -0.0008414000000000 ] - [ -0.0000393200000000, -0.0001134800000000, -0.0007899300000000 ] - [ 0.0008109900000000, 0.0013855200000000, 0.0018660000000000 ] - [ -0.0019049600000000, -0.0003242400000000, 0.0029562300000000 ] - [ 0.0000309600000000, -0.0001615700000000, -0.0010620400000000 ] - [ -0.0001017300000000, 0.0001471900000000, -0.0010646700000000 ] - [ -0.0002658700000000, 0.0006766600000000, -0.0004192900000000 ] - [ -0.0011770800000000, 0.0008181700000000, -0.0003700300000000 ] - [ 0.0008798900000000, -0.0015949600000000, -0.0006350600000000 ] - [ -0.0011769700000000, 0.0006311700000000, -0.0001429400000000 ] - [ 0.0022002900000000, 0.0018911700000000, 0.0019834800000000 ] - [ -0.0000087600000000, 0.0003523300000000, 0.0018526200000000 ] - [ -0.0007686500000000, -0.0015171400000000, -0.0024817800000000 ] - [ 0.0001532100000000, -0.0003271900000000, -0.0010875900000000 ] - [ 0.0022886000000000, 0.0007287600000000, 0.0008278800000000 ] - [ -0.0034255500000000, 0.0027863800000000, 0.0010724900000000 ] - [ -0.0009568700000000, 0.0004861500000000, -0.0009242800000000 ] - [ 0.0000823300000000, 0.0002475000000000, -0.0002524300000000 ] - [ -0.0019551300000000, -0.0034098600000000, -0.0138743500000000 ] - [ -0.0025336100000000, 0.0000320100000000, -0.0001151100000000 ] - [ 0.0030583200000000, 0.0024029000000000, -0.0111630000000000 ] - [ -0.0022699000000000, 0.0003092900000000, 0.0000132200000000 ] - [ 0.0019319600000000, 0.0007089800000000, -0.0004013600000000 ] - [ 0.0020052100000000, 0.0004315000000000, -0.0002090000000000 ] - [ 0.0026363000000000, 0.0001615700000000, -0.0018049900000000 ] - [ 0.0020023500000000, 0.0002947400000000, -0.0014822500000000 ] - [ 0.0020836000000000, -0.0040520500000000, -0.0080946300000000 ] - [ 0.0005369000000000, 0.0001636000000000, 0.0000842700000000 ] - [ 0.0032195800000000, 0.0016517600000000, -0.0018266300000000 ] - [ -0.0000035100000000, 0.0004840800000000, -0.0003297000000000 ] - [ -0.0024240700000000, 0.0070650100000000, -0.0075575800000000 ] - [ 0.0010660000000000, -0.0003704700000000, 0.0005826700000000 ] - [ 0.0014690300000000, -0.0014527000000000, -0.0007387500000000 ] - [ -0.0011279500000000, -0.0004443000000000, -0.0000237600000000 ] - [ 0.0003040000000000, 0.0000846800000000, -0.0005378400000000 ] - [ 0.0000766000000000, -0.0006630500000000, -0.0000147500000000 ] - [ 0.0015312500000000, -0.0020454600000000, 0.0000769500000000 ] - [ -0.0027576100000000, -0.0033207200000000, 0.0002704600000000 ]- atom: 69 displacement: [ 0.0099996083916704, 0.0000000000000000, -0.0000884986623371 ] forces: - [ 0.0086663200000000, 0.0071912000000000, 0.0002917900000000 ] - [ -0.0037368200000000, 0.0003199400000000, 0.0007423800000000 ] - [ 0.0001136000000000, 0.0000122200000000, 0.0003536300000000 ] - [ -0.0000228200000000, 0.0000226900000000, -0.0001385400000000 ] - [ -0.0006964200000000, 0.0000213700000000, -0.0002783100000000 ] - [ 0.0006348500000000, 0.0005768300000000, 0.0016022100000000 ] - [ -0.0000200300000000, 0.0004331400000000, -0.0008448900000000 ] - [ -0.0001014300000000, -0.0002271600000000, 0.0000127200000000 ] - [ 0.0004192300000000, 0.0000079700000000, 0.0014857000000000 ] - [ -0.0004619600000000, -0.0006131600000000, -0.0003420400000000 ] - [ 0.0010122400000000, -0.0001821500000000, 0.0013453100000000 ] - [ -0.0010801500000000, -0.0000792300000000, -0.0004857100000000 ] - [ -0.0000964200000000, 0.0001009200000000, -0.0007658800000000 ] - [ 0.0000104100000000, -0.0000108000000000, -0.0000494800000000 ] - [ -0.0004418500000000, -0.0000835100000000, -0.0007002100000000 ] - [ 0.0005466000000000, 0.0022526100000000, 0.0011065000000000 ] - [ 0.0009690100000000, 0.0000312800000000, -0.0006002100000000 ] - [ 0.0013564700000000, 0.0001549900000000, -0.0010258900000000 ] - [ 0.0037717400000000, 0.0019507000000000, -0.0008769900000000 ] - [ -0.0009642600000000, 0.0003614800000000, -0.0004250700000000 ] - [ -0.0029641500000000, 0.0002174900000000, 0.0015350800000000 ] - [ 0.0016310400000000, -0.0016168300000000, -0.0023749400000000 ] - [ 0.0013284700000000, -0.0002144700000000, -0.0035393300000000 ] - [ -0.0019788400000000, 0.0001129600000000, 0.0030729400000000 ] - [ -0.0011703900000000, 0.0011492300000000, 0.0000780300000000 ] - [ 0.0019053000000000, 0.0012555600000000, -0.0004793200000000 ] - [ 0.0008893900000000, 0.0003983600000000, -0.0004488200000000 ] - [ 0.0001610400000000, 0.0005034400000000, 0.0003245900000000 ] - [ 0.0787650800000000, -0.0748182500000000, 0.0360958500000000 ] - [ -0.0054697500000000, -0.0008107800000000, 0.0007613100000000 ] - [ -0.0005017200000000, 0.0003985700000000, 0.0002492500000000 ] - [ -0.0008511100000000, -0.0000289000000000, -0.0007626800000000 ] - [ 0.0004026100000000, -0.0003685500000000, -0.0001897900000000 ] - [ 0.0007146100000000, -0.0003672400000000, 0.0000488600000000 ] - [ -0.0038684000000000, 0.0023473600000000, -0.0012430400000000 ] - [ 0.0013668200000000, -0.0037052300000000, -0.0022352400000000 ] - [ 0.0001857100000000, -0.0016030000000000, 0.0020631500000000 ] - [ -0.0025150000000000, 0.0022689900000000, -0.0044904300000000 ] - [ 0.0008669300000000, -0.0000466500000000, 0.0007626800000000 ] - [ -0.0017980500000000, -0.0005468500000000, -0.0004059000000000 ] - [ 0.0006112000000000, 0.0011442600000000, 0.0005386800000000 ] - [ 0.0012680600000000, 0.0003208600000000, -0.0011404600000000 ] - [ 0.0018191200000000, -0.0001709800000000, -0.0008104100000000 ] - [ 0.0005136200000000, 0.0002640900000000, -0.0010546600000000 ] - [ -0.0103989000000000, -0.0038629900000000, 0.0008768300000000 ] - [ -0.0136218300000000, 0.0020573600000000, -0.0020390700000000 ] - [ -0.0013158000000000, -0.0001996600000000, 0.0001864400000000 ] - [ -0.0008940900000000, 0.0001333600000000, 0.0006323000000000 ] - [ -0.0001028800000000, 0.0004948300000000, -0.0004126900000000 ] - [ -0.0001988800000000, 0.0004033000000000, -0.0001927700000000 ] - [ -0.0017994900000000, -0.0008414300000000, -0.0005239000000000 ] - [ 0.0010721500000000, 0.0004371900000000, -0.0005398200000000 ] - [ 0.0002844700000000, 0.0006313500000000, -0.0009296200000000 ] - [ -0.0004100800000000, 0.0004563300000000, 0.0000206900000000 ] - [ -0.0012773200000000, 0.0010883600000000, -0.0005634600000000 ] - [ 0.0008744200000000, 0.0002699400000000, -0.0008786600000000 ] - [ 0.0000292200000000, -0.0003359500000000, -0.0003834100000000 ] - [ -0.0009576200000000, -0.0002888000000000, 0.0005183000000000 ] - [ -0.0019747500000000, -0.0004994600000000, 0.0005443000000000 ] - [ 0.0007582400000000, 0.0000184200000000, -0.0004016400000000 ] - [ -0.0018026800000000, -0.0005195600000000, 0.0001511800000000 ] - [ -0.0021700000000000, -0.0004168800000000, 0.0006057800000000 ] - [ -0.0024646000000000, -0.0005564500000000, 0.0006922200000000 ] - [ -0.0016293900000000, -0.0004468500000000, 0.0001316400000000 ] - [ 0.0022694300000000, -0.0003839100000000, -0.0006847600000000 ] - [ 0.0019274400000000, 0.0000300900000000, 0.0006247700000000 ] - [ 0.0029670500000000, -0.0006967500000000, 0.0059155000000000 ] - [ 0.0038289300000000, 0.0002349800000000, -0.0036503100000000 ] - [ -0.0998916400000000, 0.0787115200000000, -0.0353431600000000 ] - [ 0.0020067000000000, -0.0006251100000000, -0.0001295600000000 ] - [ 0.0000601000000000, -0.0001843700000000, -0.0003573800000000 ] - [ 0.0001849500000000, -0.0002188200000000, -0.0000571600000000 ] - [ -0.0069049000000000, 0.0016975200000000, -0.0052742300000000 ] - [ 0.0018474700000000, 0.0012086800000000, 0.0003937900000000 ] - [ -0.0000932000000000, 0.0001380400000000, -0.0001110600000000 ] - [ -0.0000156900000000, 0.0002424400000000, 0.0004192000000000 ] - [ 0.0007267200000000, -0.0006060900000000, 0.0001275700000000 ] - [ 0.0003216100000000, -0.0004820700000000, 0.0001045500000000 ] - [ -0.0002928800000000, -0.0003311900000000, 0.0002248200000000 ] - [ 0.0014827000000000, -0.0013247900000000, -0.0001677600000000 ] - [ 0.0014985100000000, -0.0005345300000000, 0.0006759000000000 ] - [ -0.0009893300000000, -0.0003741200000000, 0.0005289700000000 ] - [ 0.0001110600000000, 0.0002093700000000, 0.0001760700000000 ] - [ 0.0001193200000000, 0.0000541400000000, -0.0001057400000000 ] - [ 0.0001902800000000, -0.0003537200000000, 0.0002254700000000 ] - [ -0.0007032100000000, -0.0010646100000000, -0.0000331900000000 ] - [ -0.0001358700000000, -0.0002765000000000, 0.0003866200000000 ] - [ -0.0000714000000000, -0.0002309300000000, 0.0002127900000000 ] - [ 0.0000883700000000, 0.0006005500000000, 0.0006202500000000 ] - [ -0.0001595700000000, 0.0005676000000000, 0.0006575500000000 ] - [ 0.0013002600000000, -0.0012614300000000, 0.0005329700000000 ] - [ 0.0004076200000000, 0.0010366100000000, 0.0008065600000000 ] - [ 0.0006646500000000, 0.0003286800000000, 0.0004270400000000 ] - [ -0.0009368400000000, 0.0015833300000000, -0.0002263300000000 ] - [ 0.0005444100000000, -0.0002670800000000, 0.0011876100000000 ] - [ -0.0000188900000000, 0.0008213100000000, -0.0000064900000000 ] - [ -0.0001960600000000, -0.0010238700000000, -0.0010614800000000 ] - [ -0.0000705100000000, -0.0003880400000000, -0.0002412100000000 ] - [ -0.0004460600000000, -0.0002086800000000, -0.0005942200000000 ] - [ 0.0002562000000000, -0.0008063900000000, -0.0000721500000000 ] - [ 0.0139050000000000, -0.0114141300000000, 0.0023458800000000 ] - [ 0.0040054100000000, 0.0026782300000000, -0.0013296400000000 ] - [ 0.0000014200000000, -0.0006216200000000, -0.0006642100000000 ] - [ 0.0000155300000000, -0.0005222900000000, -0.0004412000000000 ] - [ -0.0003298500000000, 0.0002991800000000, -0.0007492900000000 ] - [ 0.0008794000000000, 0.0005002400000000, 0.0003942400000000 ] - [ -0.0003373300000000, -0.0002084800000000, -0.0011102400000000 ] - [ 0.0008777000000000, 0.0007850400000000, 0.0002847800000000 ] - [ -0.0005495500000000, 0.0002128600000000, -0.0005029000000000 ] - [ 0.0006490900000000, -0.0010849600000000, 0.0014563700000000 ] - [ -0.0003599400000000, -0.0002015600000000, -0.0007442300000000 ] - [ 0.0001583400000000, -0.0002516400000000, 0.0004419600000000 ] - [ 0.0062504900000000, 0.0044092100000000, -0.0005830700000000 ] - [ 0.0045568300000000, -0.0027817800000000, 0.0020227000000000 ] - [ -0.0006271100000000, 0.0005912100000000, -0.0000049300000000 ] - [ -0.0004356200000000, 0.0004331200000000, 0.0000434000000000 ] - [ 0.0001887500000000, -0.0000435200000000, 0.0001956000000000 ] - [ 0.0000073900000000, -0.0001545000000000, -0.0001692000000000 ] - [ 0.0014958400000000, 0.0002033600000000, 0.0006416600000000 ] - [ 0.0000810800000000, 0.0048228700000000, -0.0015314800000000 ] - [ -0.0000695700000000, 0.0001237900000000, 0.0003633600000000 ] - [ -0.0001198900000000, 0.0002240500000000, 0.0002023100000000 ] - [ 0.0012382000000000, -0.0015510500000000, 0.0012028700000000 ] - [ -0.0009945000000000, 0.0008984900000000, 0.0004067300000000 ] - [ -0.0022754200000000, -0.0002814500000000, -0.0004987700000000 ] - [ -0.0019344100000000, 0.0003663100000000, 0.0005548700000000 ] - [ -0.0021211100000000, 0.0003868000000000, 0.0004719900000000 ] - [ -0.0020642700000000, 0.0003066100000000, 0.0005262700000000 ] - [ 0.0029674600000000, 0.0008509100000000, -0.0025966400000000 ] - [ 0.0069923200000000, -0.0024831500000000, 0.0059025700000000 ] - [ 0.0016017400000000, 0.0005912200000000, 0.0003329200000000 ] - [ 0.0023514100000000, 0.0001576800000000, -0.0004374100000000 ] - [ 0.0008855100000000, 0.0002998900000000, -0.0003924200000000 ] - [ -0.0002210000000000, 0.0002951500000000, -0.0000366200000000 ] - [ 0.0001683400000000, 0.0003195900000000, 0.0001751700000000 ] - [ 0.0007145400000000, 0.0006016900000000, 0.0000542700000000 ] - [ 0.0009627200000000, -0.0009171600000000, 0.0001414800000000 ] - [ -0.0007141500000000, -0.0010096100000000, 0.0010819700000000 ] - [ -0.0002998200000000, -0.0005732800000000, 0.0007634600000000 ] - [ 0.0002633800000000, -0.0006671400000000, 0.0005304700000000 ] - [ 0.0026831100000000, 0.0015812600000000, 0.0005546300000000 ] - [ 0.0041226500000000, -0.0085058600000000, -0.0005632500000000 ] - [ 0.0002748400000000, -0.0002700200000000, 0.0005934000000000 ] - [ 0.0000872500000000, -0.0005645600000000, 0.0002813500000000 ]- atom: 69 displacement: [ -0.0099996083916704, 0.0000000000000000, 0.0000884986623371 ] forces: - [ -0.0083955500000000, -0.0071388000000000, 0.0001852200000000 ] - [ 0.0037930800000000, -0.0002875200000000, -0.0002888500000000 ] - [ -0.0000198100000000, 0.0000177900000000, 0.0000959400000000 ] - [ 0.0001152700000000, 0.0000075400000000, 0.0005859700000000 ] - [ 0.0006016500000000, 0.0000076400000000, -0.0001717500000000 ] - [ -0.0007267600000000, -0.0005323600000000, -0.0020238000000000 ] - [ -0.0000744500000000, -0.0004024900000000, 0.0003943700000000 ] - [ 0.0000083800000000, 0.0002539100000000, -0.0004593800000000 ] - [ -0.0003322200000000, -0.0000359600000000, -0.0010324500000000 ] - [ 0.0005560600000000, 0.0005789700000000, 0.0007864800000000 ] - [ -0.0009091400000000, 0.0001521100000000, -0.0009000100000000 ] - [ 0.0011665200000000, 0.0000482600000000, 0.0009328900000000 ] - [ 0.0000036900000000, -0.0001297700000000, 0.0003128500000000 ] - [ -0.0001050100000000, -0.0000193200000000, -0.0003979700000000 ] - [ 0.0003431100000000, 0.0000549400000000, 0.0002515600000000 ] - [ -0.0006317000000000, -0.0022724400000000, -0.0015487400000000 ] - [ 0.0013131500000000, 0.0000068000000000, -0.0008672800000000 ] - [ 0.0009279400000000, -0.0001154700000000, -0.0004389300000000 ] - [ -0.0014901400000000, -0.0019068300000000, -0.0005961600000000 ] - [ 0.0032450200000000, -0.0003120600000000, -0.0010368300000000 ] - [ 0.0006712500000000, -0.0001778700000000, -0.0000693700000000 ] - [ -0.0038831100000000, 0.0016291200000000, 0.0038473900000000 ] - [ -0.0036359300000000, 0.0002407100000000, 0.0049877400000000 ] - [ -0.0003052200000000, -0.0000770700000000, -0.0015833800000000 ] - [ 0.0023156000000000, -0.0004874800000000, -0.0000348900000000 ] - [ -0.0007349000000000, -0.0006033100000000, 0.0005287400000000 ] - [ 0.0002637000000000, 0.0002554200000000, 0.0004895800000000 ] - [ 0.0009967600000000, 0.0001506900000000, -0.0002764400000000 ] - [ -0.0806487300000000, 0.0782593900000000, -0.0373325000000000 ] - [ 0.0042873900000000, 0.0014490600000000, -0.0008003400000000 ] - [ -0.0006555000000000, 0.0002532400000000, -0.0002942200000000 ] - [ -0.0003061600000000, 0.0006801400000000, 0.0007170900000000 ] - [ 0.0007542600000000, -0.0002842500000000, 0.0002335500000000 ] - [ 0.0004416500000000, -0.0002847100000000, -0.0000017100000000 ] - [ 0.0050103600000000, -0.0030320600000000, 0.0013251400000000 ] - [ -0.0001704800000000, 0.0030463000000000, 0.0022786200000000 ] - [ -0.0013514800000000, 0.0009426700000000, -0.0021017800000000 ] - [ 0.0013513100000000, -0.0029013600000000, 0.0044005100000000 ] - [ -0.0020106500000000, -0.0006058100000000, -0.0008105300000000 ] - [ 0.0006331400000000, -0.0001041100000000, 0.0003610600000000 ] - [ 0.0016620300000000, -0.0011794900000000, -0.0019994200000000 ] - [ 0.0010241100000000, -0.0003557900000000, -0.0003263700000000 ] - [ 0.0004678900000000, 0.0001332700000000, -0.0006593700000000 ] - [ 0.0017659400000000, -0.0003011000000000, -0.0004109100000000 ] - [ 0.0080841900000000, 0.0038406300000000, 0.0005823800000000 ] - [ 0.0113951700000000, -0.0020335500000000, 0.0033925300000000 ] - [ -0.0009675500000000, 0.0001610400000000, 0.0012759200000000 ] - [ -0.0013901300000000, -0.0001712100000000, 0.0008380000000000 ] - [ -0.0001838000000000, 0.0004561000000000, -0.0002946700000000 ] - [ -0.0000896600000000, 0.0005460200000000, -0.0005136400000000 ] - [ 0.0015072000000000, 0.0017982700000000, -0.0001806800000000 ] - [ -0.0013548400000000, 0.0005049100000000, -0.0001705100000000 ] - [ -0.0002439600000000, 0.0005433100000000, -0.0003204000000000 ] - [ 0.0004340500000000, 0.0007215400000000, -0.0012623500000000 ] - [ 0.0013073800000000, 0.0000911400000000, -0.0006757900000000 ] - [ -0.0008328800000000, 0.0009020600000000, -0.0003739100000000 ] - [ -0.0009800000000000, -0.0006485900000000, 0.0002750300000000 ] - [ -0.0000019600000000, -0.0006951000000000, -0.0006255200000000 ] - [ 0.0010245600000000, -0.0004782700000000, -0.0006337100000000 ] - [ -0.0017015300000000, -0.0009980200000000, 0.0002881700000000 ] - [ -0.0023539400000000, -0.0001560500000000, 0.0005732700000000 ] - [ -0.0019907000000000, -0.0002564200000000, 0.0001172700000000 ] - [ -0.0016950300000000, -0.0001183900000000, 0.0000375200000000 ] - [ -0.0025287000000000, -0.0002280500000000, 0.0005906400000000 ] - [ 0.0018898000000000, -0.0002897000000000, -0.0000379700000000 ] - [ 0.0022298500000000, -0.0007007900000000, -0.0013474900000000 ] - [ 0.0011796700000000, 0.0000405300000000, -0.0066853100000000 ] - [ 0.0003462400000000, -0.0009022400000000, 0.0028859600000000 ] - [ 0.1007271400000000, -0.0821043200000000, 0.0359637500000000 ] - [ -0.0017851800000000, 0.0002126300000000, -0.0004024500000000 ] - [ 0.0001508200000000, -0.0002301200000000, -0.0001750200000000 ] - [ 0.0000261400000000, -0.0001958100000000, -0.0004742700000000 ] - [ 0.0067433700000000, -0.0013863100000000, 0.0053735200000000 ] - [ -0.0020008800000000, -0.0008977500000000, -0.0003452400000000 ] - [ -0.0000706200000000, 0.0001643800000000, 0.0001552500000000 ] - [ -0.0001482700000000, 0.0000599700000000, -0.0003738900000000 ] - [ 0.0002277200000000, -0.0003800500000000, -0.0000175900000000 ] - [ 0.0006312500000000, -0.0005034800000000, 0.0000037600000000 ] - [ 0.0012483100000000, -0.0006558900000000, -0.0001144900000000 ] - [ -0.0005280900000000, 0.0003328600000000, 0.0002744600000000 ] - [ -0.0013233300000000, 0.0008283000000000, -0.0007085100000000 ] - [ 0.0011450700000000, 0.0006833600000000, -0.0005826100000000 ] - [ 0.0000544500000000, 0.0000910200000000, -0.0002184200000000 ] - [ 0.0000428000000000, 0.0002466900000000, 0.0000617100000000 ] - [ -0.0004027300000000, -0.0000653200000000, 0.0003065500000000 ] - [ 0.0004894100000000, 0.0006443000000000, 0.0005621500000000 ] - [ -0.0000751200000000, -0.0001398500000000, 0.0001468800000000 ] - [ -0.0001412700000000, -0.0001865800000000, 0.0003194700000000 ] - [ -0.0001253400000000, 0.0005747200000000, 0.0006296700000000 ] - [ 0.0001229000000000, 0.0006076000000000, 0.0005911400000000 ] - [ -0.0013120000000000, 0.0024432900000000, 0.0006934300000000 ] - [ -0.0004538000000000, 0.0001384600000000, 0.0004448900000000 ] - [ -0.0003756700000000, 0.0006214800000000, 0.0002814600000000 ] - [ 0.0012166700000000, -0.0006225500000000, 0.0009157600000000 ] - [ -0.0002542000000000, 0.0012174600000000, -0.0004787000000000 ] - [ 0.0002995900000000, 0.0001363500000000, 0.0007109100000000 ] - [ -0.0000849700000000, 0.0000706800000000, 0.0003530300000000 ] - [ -0.0002196100000000, -0.0005605200000000, -0.0004647800000000 ] - [ 0.0001567700000000, -0.0007416900000000, -0.0001119500000000 ] - [ -0.0005408600000000, -0.0001451800000000, -0.0006341600000000 ] - [ -0.0141191100000000, 0.0105179500000000, -0.0035992400000000 ] - [ -0.0039458900000000, -0.0038129400000000, 0.0000818300000000 ] - [ 0.0000343900000000, -0.0005537700000000, -0.0005845500000000 ] - [ 0.0000211700000000, -0.0006524900000000, -0.0008079300000000 ] - [ 0.0005438000000000, 0.0001209400000000, 0.0002140200000000 ] - [ -0.0006633100000000, -0.0000807900000000, -0.0009208300000000 ] - [ 0.0005427200000000, 0.0006225100000000, 0.0005753500000000 ] - [ -0.0006630700000000, -0.0003673800000000, -0.0008165200000000 ] - [ 0.0003852600000000, -0.0005132700000000, 0.0005448500000000 ] - [ -0.0008082900000000, 0.0007753100000000, -0.0013984300000000 ] - [ 0.0001926500000000, -0.0000994400000000, 0.0007856900000000 ] - [ -0.0003193200000000, -0.0000513800000000, -0.0003963500000000 ] - [ -0.0072204600000000, -0.0034880700000000, 0.0004828500000000 ] - [ -0.0054202800000000, 0.0036812000000000, -0.0020776500000000 ] - [ -0.0003270600000000, 0.0003941900000000, -0.0001029100000000 ] - [ -0.0005166400000000, 0.0005516700000000, -0.0001523900000000 ] - [ -0.0000253300000000, -0.0002581600000000, -0.0002388400000000 ] - [ 0.0001569100000000, -0.0001478100000000, 0.0001240600000000 ] - [ -0.0013239800000000, -0.0005020200000000, -0.0006859300000000 ] - [ 0.0000810300000000, -0.0051016900000000, 0.0014621800000000 ] - [ -0.0001422800000000, 0.0002906700000000, 0.0001693200000000 ] - [ -0.0000911300000000, 0.0001908400000000, 0.0003296200000000 ] - [ -0.0014456400000000, 0.0019713000000000, -0.0006780800000000 ] - [ 0.0007732500000000, -0.0004840000000000, 0.0001284500000000 ] - [ -0.0018790000000000, 0.0009537300000000, 0.0012170900000000 ] - [ -0.0022273600000000, 0.0003049700000000, 0.0001682500000000 ] - [ -0.0020383800000000, 0.0002870200000000, 0.0002538400000000 ] - [ -0.0020939600000000, 0.0003669700000000, 0.0001966600000000 ] - [ 0.0012008200000000, -0.0001767500000000, 0.0018685900000000 ] - [ -0.0027880700000000, 0.0031206400000000, -0.0065321000000000 ] - [ 0.0025563200000000, 0.0000830000000000, -0.0010536600000000 ] - [ 0.0018097600000000, 0.0005151800000000, -0.0002905500000000 ] - [ 0.0000721500000000, 0.0006877800000000, 0.0005014900000000 ] - [ 0.0011642900000000, 0.0006856400000000, 0.0001427900000000 ] - [ 0.0007833700000000, 0.0006646600000000, -0.0000651900000000 ] - [ 0.0002398600000000, 0.0003846300000000, 0.0000541900000000 ] - [ -0.0009920100000000, -0.0002612200000000, 0.0011062000000000 ] - [ 0.0006698300000000, -0.0001680700000000, 0.0001695300000000 ] - [ 0.0002629500000000, -0.0006015800000000, 0.0004868700000000 ] - [ -0.0002998400000000, -0.0005088300000000, 0.0007180400000000 ] - [ -0.0023888800000000, -0.0025325900000000, 0.0001526600000000 ] - [ -0.0038193500000000, 0.0074501500000000, 0.0012539100000000 ] - [ 0.0000125200000000, -0.0006796400000000, 0.0001157500000000 ] - [ 0.0001994000000000, -0.0003869300000000, 0.0004253200000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0050997600000000, 0.0228835400000000, 0.0014621400000000 ] - [ 0.0019954600000000, -0.0003717800000000, -0.0001025400000000 ] - [ 0.0000415500000000, -0.0000153800000000, 0.0002669200000000 ] - [ 0.0000591700000000, 0.0000050100000000, 0.0005347600000000 ] - [ 0.0003036100000000, 0.0001144100000000, -0.0004371200000000 ] - [ -0.0004763700000000, -0.0018292300000000, -0.0071901000000000 ] - [ 0.0000379800000000, -0.0000700600000000, 0.0004755100000000 ] - [ -0.0001492200000000, 0.0001268400000000, 0.0000680100000000 ] - [ 0.0000123400000000, 0.0007816700000000, -0.0009568100000000 ] - [ 0.0002923700000000, 0.0007702700000000, 0.0004456100000000 ] - [ -0.0003761100000000, 0.0013462300000000, 0.0013040900000000 ] - [ 0.0005239100000000, 0.0003449100000000, 0.0009872600000000 ] - [ 0.0000349400000000, -0.0001990300000000, 0.0001800500000000 ] - [ -0.0001386600000000, -0.0001841800000000, 0.0000037500000000 ] - [ -0.0000961600000000, -0.0012234000000000, -0.0002606000000000 ] - [ -0.0001270000000000, -0.0044619400000000, -0.0018077300000000 ] - [ 0.0011398000000000, -0.0001632000000000, -0.0008111200000000 ] - [ 0.0009992700000000, -0.0001993500000000, -0.0003428800000000 ] - [ -0.0016254500000000, -0.0072049600000000, -0.0003110100000000 ] - [ 0.0018152600000000, -0.0021195800000000, -0.0007545200000000 ] - [ -0.0006306600000000, 0.0007299400000000, 0.0007076300000000 ] - [ -0.0029092600000000, 0.0036501200000000, 0.0035586200000000 ] - [ -0.0015312200000000, 0.0018566500000000, 0.0010077800000000 ] - [ -0.0008082600000000, 0.0006326700000000, -0.0005455700000000 ] - [ 0.0014216400000000, -0.0008833300000000, -0.0000639600000000 ] - [ 0.0016365000000000, -0.0042050100000000, 0.0019230500000000 ] - [ 0.0002431700000000, -0.0004516300000000, 0.0004061800000000 ] - [ 0.0011962500000000, -0.0004071400000000, 0.0001278800000000 ] - [ -0.0864488100000000, 0.1815746900000000, -0.0667861000000000 ] - [ 0.0018711700000000, 0.0024322600000000, -0.0009069200000000 ] - [ -0.0004790600000000, 0.0005666500000000, 0.0000591200000000 ] - [ -0.0003646900000000, 0.0007180700000000, 0.0004940800000000 ] - [ 0.0007823000000000, -0.0001642500000000, 0.0003150900000000 ] - [ 0.0004934100000000, -0.0002528000000000, 0.0000674400000000 ] - [ 0.0069207300000000, -0.0009813900000000, -0.0010642600000000 ] - [ -0.0082231400000000, -0.0036885900000000, 0.0005082600000000 ] - [ -0.0025148800000000, -0.0002337200000000, 0.0010529200000000 ] - [ 0.0013452300000000, -0.0025100900000000, 0.0032388300000000 ] - [ -0.0003956000000000, -0.0006355300000000, -0.0014471400000000 ] - [ 0.0000036600000000, -0.0003930000000000, 0.0002377000000000 ] - [ 0.0022787200000000, -0.0019665500000000, -0.0024038600000000 ] - [ 0.0007256400000000, -0.0015205200000000, -0.0017307000000000 ] - [ 0.0011408900000000, -0.0007507500000000, 0.0000006500000000 ] - [ 0.0014677900000000, -0.0003790300000000, -0.0001121800000000 ] - [ -0.0035901400000000, 0.0117687000000000, 0.0001311200000000 ] - [ 0.0192500600000000, 0.0058632700000000, 0.0024812400000000 ] - [ -0.0010762300000000, 0.0001132100000000, 0.0010248000000000 ] - [ -0.0012568000000000, -0.0000070900000000, 0.0010356000000000 ] - [ -0.0000882500000000, 0.0006043500000000, -0.0003668800000000 ] - [ -0.0001416200000000, 0.0005637900000000, -0.0004787500000000 ] - [ 0.0017502400000000, 0.0060252700000000, 0.0007418600000000 ] - [ -0.0005098300000000, 0.0015540800000000, -0.0001266200000000 ] - [ 0.0005295300000000, 0.0004270300000000, -0.0008680400000000 ] - [ 0.0001108200000000, 0.0006785300000000, -0.0011412000000000 ] - [ 0.0005406700000000, 0.0006700200000000, 0.0007590800000000 ] - [ -0.0003022400000000, 0.0007301600000000, -0.0005008300000000 ] - [ -0.0008132500000000, -0.0008600300000000, 0.0000278400000000 ] - [ -0.0002001000000000, -0.0010455500000000, -0.0004678200000000 ] - [ -0.0000852600000000, -0.0020796100000000, -0.0016414400000000 ] - [ -0.0012018100000000, -0.0009365200000000, 0.0000533600000000 ] - [ -0.0023255300000000, -0.0000977300000000, 0.0006270200000000 ] - [ -0.0025016800000000, 0.0002911400000000, 0.0000498200000000 ] - [ -0.0019398800000000, 0.0005498600000000, 0.0000312300000000 ] - [ -0.0023680100000000, 0.0001130100000000, 0.0001352400000000 ] - [ 0.0019410200000000, -0.0005021600000000, -0.0004449200000000 ] - [ 0.0021418700000000, -0.0008809700000000, -0.0010519800000000 ] - [ 0.0025443800000000, -0.0051192600000000, -0.0007935800000000 ] - [ 0.0010639900000000, -0.0009970500000000, 0.0015480600000000 ] - [ 0.0842064100000000, -0.2349623800000000, 0.0664767900000000 ] - [ -0.0003132900000000, -0.0009474100000000, -0.0000011500000000 ] - [ 0.0001272100000000, -0.0002970500000000, -0.0002585900000000 ] - [ 0.0000921200000000, -0.0002612800000000, -0.0003809500000000 ] - [ 0.0002020400000000, 0.0147922700000000, 0.0029768300000000 ] - [ -0.0016237100000000, -0.0009015700000000, -0.0001802600000000 ] - [ -0.0001136700000000, 0.0000601600000000, -0.0000815400000000 ] - [ -0.0001730800000000, 0.0000189200000000, -0.0002885100000000 ] - [ 0.0002749100000000, -0.0003393200000000, -0.0000113400000000 ] - [ 0.0004788400000000, -0.0003569000000000, -0.0001728800000000 ] - [ 0.0007360500000000, 0.0007160200000000, -0.0000731800000000 ] - [ -0.0004534100000000, 0.0007534600000000, 0.0001294400000000 ] - [ -0.0008438300000000, 0.0008194900000000, -0.0005436200000000 ] - [ -0.0001881500000000, 0.0047816100000000, -0.0051364200000000 ] - [ 0.0000383900000000, 0.0002561500000000, -0.0002638300000000 ] - [ -0.0002132300000000, 0.0003980100000000, -0.0001106900000000 ] - [ 0.0000421700000000, 0.0003432800000000, 0.0005118500000000 ] - [ 0.0007579400000000, 0.0028930400000000, 0.0012940600000000 ] - [ -0.0000376400000000, 0.0000538000000000, 0.0001748700000000 ] - [ -0.0000828200000000, 0.0000650000000000, 0.0002522500000000 ] - [ -0.0000677000000000, 0.0005544800000000, 0.0006126800000000 ] - [ 0.0001225300000000, 0.0006417500000000, 0.0006228100000000 ] - [ -0.0048248300000000, 0.0039997700000000, 0.0016172300000000 ] - [ 0.0024537100000000, 0.0014860400000000, -0.0002875300000000 ] - [ 0.0000113700000000, 0.0001108700000000, 0.0004289800000000 ] - [ 0.0009242900000000, -0.0017515400000000, 0.0018954500000000 ] - [ -0.0000056400000000, -0.0000409300000000, 0.0002553200000000 ] - [ 0.0005436900000000, -0.0001755000000000, 0.0002626000000000 ] - [ -0.0007492300000000, 0.0003151900000000, 0.0008150500000000 ] - [ 0.0002553500000000, -0.0006956400000000, -0.0001822800000000 ] - [ -0.0001461200000000, -0.0001379700000000, -0.0008275200000000 ] - [ -0.0003983200000000, -0.0002424100000000, -0.0007044900000000 ] - [ -0.0105568400000000, -0.0076649800000000, 0.0040742500000000 ] - [ -0.0023708400000000, -0.0036287500000000, 0.0000426400000000 ] - [ -0.0000028500000000, -0.0006702000000000, -0.0006616700000000 ] - [ 0.0000329100000000, -0.0006805400000000, -0.0007717300000000 ] - [ 0.0005197100000000, -0.0001344400000000, -0.0004783400000000 ] - [ -0.0004746000000000, -0.0000271900000000, -0.0007887500000000 ] - [ 0.0000207100000000, -0.0001342200000000, 0.0003601300000000 ] - [ -0.0001845300000000, -0.0000247400000000, -0.0004601000000000 ] - [ 0.0002473800000000, 0.0000955800000000, -0.0004162800000000 ] - [ -0.0006693600000000, 0.0006901900000000, -0.0010447400000000 ] - [ -0.0001873400000000, 0.0003410500000000, 0.0007737500000000 ] - [ -0.0002043800000000, 0.0000882900000000, -0.0002335300000000 ] - [ 0.0126251900000000, 0.0003029500000000, -0.0002321800000000 ] - [ -0.0049114100000000, 0.0021123400000000, -0.0012690200000000 ] - [ -0.0004255900000000, 0.0004446000000000, -0.0000505900000000 ] - [ -0.0004895600000000, 0.0005117600000000, -0.0001605100000000 ] - [ -0.0000138200000000, -0.0003058500000000, -0.0001817400000000 ] - [ 0.0000814900000000, -0.0002311800000000, 0.0001006500000000 ] - [ -0.0012714300000000, -0.0011822900000000, -0.0007619100000000 ] - [ 0.0041347200000000, 0.0019755200000000, -0.0022378600000000 ] - [ -0.0001882200000000, 0.0002985900000000, 0.0001916300000000 ] - [ -0.0000876100000000, 0.0002632200000000, 0.0003012900000000 ] - [ -0.0018716700000000, 0.0019408700000000, -0.0002028300000000 ] - [ 0.0005844800000000, 0.0022213400000000, -0.0004749700000000 ] - [ -0.0024317000000000, 0.0013514200000000, 0.0016099100000000 ] - [ -0.0015432300000000, 0.0012679100000000, 0.0013735900000000 ] - [ -0.0020842500000000, 0.0003474100000000, -0.0000614900000000 ] - [ -0.0020522000000000, 0.0003686400000000, 0.0000128000000000 ] - [ 0.0023784100000000, -0.0013804400000000, -0.0007946200000000 ] - [ -0.0019613000000000, 0.0004375000000000, -0.0053068400000000 ] - [ 0.0023139300000000, 0.0000921800000000, -0.0005437300000000 ] - [ 0.0019485400000000, 0.0004282100000000, -0.0004712500000000 ] - [ -0.0000748800000000, 0.0006355800000000, 0.0005566900000000 ] - [ 0.0020593100000000, 0.0014623200000000, 0.0010809700000000 ] - [ 0.0005655300000000, 0.0006399100000000, -0.0001618700000000 ] - [ 0.0004168300000000, 0.0004692300000000, -0.0000565100000000 ] - [ -0.0005531700000000, 0.0001602800000000, 0.0009282600000000 ] - [ -0.0005409600000000, 0.0006897200000000, 0.0005078100000000 ] - [ 0.0001190900000000, -0.0002723100000000, 0.0005590100000000 ] - [ -0.0002280600000000, -0.0004105300000000, 0.0006380700000000 ] - [ 0.0011202400000000, -0.0016713900000000, 0.0009896400000000 ] - [ -0.0131099300000000, 0.0094086300000000, 0.0022890700000000 ] - [ 0.0000837600000000, -0.0005761200000000, 0.0001749800000000 ] - [ 0.0001452400000000, -0.0004944300000000, 0.0002740200000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0055683500000000, -0.0254212300000000, -0.0008906600000000 ] - [ -0.0018972500000000, 0.0004008800000000, 0.0005524600000000 ] - [ 0.0000520200000000, 0.0000447500000000, 0.0001806200000000 ] - [ 0.0000328700000000, 0.0000237700000000, -0.0000873000000000 ] - [ -0.0003967600000000, -0.0000838700000000, -0.0000095300000000 ] - [ 0.0003764200000000, 0.0018864200000000, 0.0067057400000000 ] - [ -0.0001307900000000, 0.0001051700000000, -0.0009254300000000 ] - [ 0.0000560700000000, -0.0000967000000000, -0.0005163100000000 ] - [ 0.0000744800000000, -0.0008097300000000, 0.0014055600000000 ] - [ -0.0001981800000000, -0.0008006500000000, 0.0000013900000000 ] - [ 0.0004800400000000, -0.0013687300000000, -0.0008633900000000 ] - [ -0.0004353100000000, -0.0003735200000000, -0.0005393100000000 ] - [ -0.0001287700000000, 0.0001685300000000, -0.0006308800000000 ] - [ 0.0000458600000000, 0.0001539100000000, -0.0004553500000000 ] - [ 0.0000068200000000, 0.0011960100000000, -0.0001864700000000 ] - [ 0.0000260400000000, 0.0044309900000000, 0.0013649300000000 ] - [ 0.0011438000000000, 0.0002076500000000, -0.0006574000000000 ] - [ 0.0012851600000000, 0.0002451200000000, -0.0011299000000000 ] - [ 0.0039348600000000, 0.0072517700000000, -0.0011326900000000 ] - [ 0.0004639000000000, 0.0021620800000000, -0.0007087800000000 ] - [ -0.0016520200000000, -0.0006870200000000, 0.0007556100000000 ] - [ 0.0006402700000000, -0.0036327200000000, -0.0020829400000000 ] - [ -0.0007586900000000, -0.0018204100000000, 0.0004271000000000 ] - [ -0.0014736500000000, -0.0005893700000000, 0.0020062900000000 ] - [ -0.0002689000000000, 0.0015348300000000, 0.0001060100000000 ] - [ -0.0004996300000000, 0.0048665100000000, -0.0018911800000000 ] - [ 0.0009116300000000, 0.0010982300000000, -0.0003577000000000 ] - [ -0.0000450500000000, 0.0010575900000000, -0.0000840000000000 ] - [ 0.0798227400000000, -0.1737099600000000, 0.0631798300000000 ] - [ -0.0030182100000000, -0.0017785000000000, 0.0008639300000000 ] - [ -0.0006729800000000, 0.0000850500000000, -0.0001043700000000 ] - [ -0.0007872300000000, -0.0000646300000000, -0.0005377500000000 ] - [ 0.0003695700000000, -0.0004862200000000, -0.0002745800000000 ] - [ 0.0006582000000000, -0.0003977900000000, -0.0000267000000000 ] - [ -0.0057600100000000, 0.0003203900000000, 0.0011225600000000 ] - [ 0.0093467700000000, 0.0030624900000000, -0.0004348400000000 ] - [ 0.0013717200000000, -0.0004268300000000, -0.0010990400000000 ] - [ -0.0025031900000000, 0.0018621300000000, -0.0032863300000000 ] - [ -0.0007545200000000, -0.0000261600000000, 0.0014040400000000 ] - [ -0.0011576100000000, -0.0002644700000000, -0.0002810700000000 ] - [ 0.0000149000000000, 0.0019199400000000, 0.0009375500000000 ] - [ 0.0015493500000000, 0.0014807800000000, 0.0002661900000000 ] - [ 0.0011400600000000, 0.0007105000000000, -0.0014645800000000 ] - [ 0.0008144800000000, 0.0003367100000000, -0.0013557200000000 ] - [ 0.0012845500000000, -0.0117929600000000, 0.0013467800000000 ] - [ -0.0216475300000000, -0.0059451400000000, -0.0009747000000000 ] - [ -0.0012066400000000, -0.0001584900000000, 0.0004333600000000 ] - [ -0.0010281400000000, -0.0000395300000000, 0.0004283400000000 ] - [ -0.0002018900000000, 0.0003453400000000, -0.0003397100000000 ] - [ -0.0001475700000000, 0.0003865800000000, -0.0002273800000000 ] - [ -0.0020435100000000, -0.0051000100000000, -0.0014584400000000 ] - [ 0.0002192500000000, -0.0006057600000000, -0.0005811000000000 ] - [ -0.0004894900000000, 0.0007487600000000, -0.0003808600000000 ] - [ -0.0000694000000000, 0.0004997500000000, -0.0001079300000000 ] - [ -0.0005023000000000, 0.0005122300000000, -0.0020107700000000 ] - [ 0.0003446700000000, 0.0004457300000000, -0.0007501700000000 ] - [ -0.0001470200000000, -0.0001260300000000, -0.0001364000000000 ] - [ -0.0007625400000000, 0.0000603500000000, 0.0003580200000000 ] - [ -0.0008649800000000, 0.0010951600000000, 0.0015493700000000 ] - [ 0.0002409200000000, -0.0000500000000000, -0.0001624700000000 ] - [ -0.0018351400000000, -0.0005748600000000, 0.0000978000000000 ] - [ -0.0016554400000000, -0.0009677600000000, 0.0006798000000000 ] - [ -0.0022208700000000, -0.0012226400000000, 0.0006795100000000 ] - [ -0.0017906200000000, -0.0007853300000000, 0.0005840200000000 ] - [ 0.0022181500000000, -0.0001698000000000, -0.0002741500000000 ] - [ 0.0020168900000000, 0.0002097800000000, 0.0003291000000000 ] - [ 0.0016473100000000, 0.0044360000000000, 0.0001090900000000 ] - [ 0.0030915000000000, 0.0003233500000000, -0.0022637900000000 ] - [ -0.0778224800000000, 0.2297929400000000, -0.0636658800000000 ] - [ 0.0005217700000000, 0.0005371500000000, -0.0005320200000000 ] - [ 0.0000834800000000, -0.0001143500000000, -0.0002729400000000 ] - [ 0.0001189600000000, -0.0001504200000000, -0.0001501400000000 ] - [ -0.0004491000000000, -0.0140810000000000, -0.0029313400000000 ] - [ 0.0014604500000000, 0.0011988400000000, 0.0002197600000000 ] - [ -0.0000503400000000, 0.0002372500000000, 0.0001243700000000 ] - [ 0.0000088600000000, 0.0002778800000000, 0.0003314800000000 ] - [ 0.0006843900000000, -0.0006466100000000, 0.0001219500000000 ] - [ 0.0004798300000000, -0.0006298600000000, 0.0002856500000000 ] - [ 0.0002134500000000, -0.0016982100000000, 0.0001794300000000 ] - [ 0.0014147400000000, -0.0017395100000000, -0.0000197200000000 ] - [ 0.0010060000000000, -0.0005213900000000, 0.0005001800000000 ] - [ 0.0003492400000000, -0.0045084800000000, 0.0051294400000000 ] - [ 0.0001245500000000, 0.0000434700000000, 0.0002209000000000 ] - [ 0.0003766100000000, -0.0001006800000000, 0.0000694200000000 ] - [ -0.0002530400000000, -0.0007556000000000, 0.0000206700000000 ] - [ -0.0009710800000000, -0.0033077400000000, -0.0007561000000000 ] - [ -0.0001745900000000, -0.0004670600000000, 0.0003571300000000 ] - [ -0.0001286500000000, -0.0004780600000000, 0.0002800900000000 ] - [ 0.0000254200000000, 0.0006197500000000, 0.0006385800000000 ] - [ -0.0001648300000000, 0.0005313000000000, 0.0006282400000000 ] - [ 0.0047643000000000, -0.0028118900000000, -0.0003892200000000 ] - [ -0.0024895600000000, -0.0003120000000000, 0.0015305800000000 ] - [ 0.0002784500000000, 0.0008387600000000, 0.0002781800000000 ] - [ -0.0006363700000000, 0.0027024100000000, -0.0012022800000000 ] - [ 0.0003016500000000, 0.0009815100000000, 0.0004569000000000 ] - [ -0.0002538700000000, 0.0011240200000000, 0.0004451900000000 ] - [ 0.0004545300000000, -0.0012666200000000, -0.0015176600000000 ] - [ -0.0005420400000000, -0.0002574700000000, -0.0005250400000000 ] - [ -0.0001434400000000, -0.0008151300000000, 0.0001215200000000 ] - [ 0.0001106300000000, -0.0007104400000000, -0.0000016700000000 ] - [ 0.0105271000000000, 0.0064145900000000, -0.0052643500000000 ] - [ 0.0024081500000000, 0.0024460000000000, -0.0012929800000000 ] - [ 0.0000439200000000, -0.0005051400000000, -0.0005873300000000 ] - [ 0.0000092500000000, -0.0004945100000000, -0.0004780700000000 ] - [ -0.0003062700000000, 0.0005530100000000, -0.0000533900000000 ] - [ 0.0006887500000000, 0.0004412700000000, 0.0002589800000000 ] - [ 0.0001894000000000, 0.0005532500000000, -0.0008885600000000 ] - [ 0.0004012800000000, 0.0004433400000000, -0.0000695800000000 ] - [ -0.0004163700000000, -0.0003904000000000, 0.0004603200000000 ] - [ 0.0005062500000000, -0.0009877400000000, 0.0010882700000000 ] - [ 0.0000221500000000, -0.0006345000000000, -0.0007373200000000 ] - [ 0.0000389500000000, -0.0003835500000000, 0.0002729600000000 ] - [ -0.0136057600000000, 0.0006988600000000, 0.0001239000000000 ] - [ 0.0039524500000000, -0.0011244600000000, 0.0011522900000000 ] - [ -0.0005360400000000, 0.0005424800000000, -0.0000579200000000 ] - [ -0.0004703100000000, 0.0004747800000000, 0.0000512100000000 ] - [ 0.0001766200000000, 0.0000075900000000, 0.0001409100000000 ] - [ 0.0000823300000000, -0.0000670100000000, -0.0001414900000000 ] - [ 0.0014340000000000, 0.0008830400000000, 0.0007170100000000 ] - [ -0.0039700400000000, -0.0022897500000000, 0.0021613300000000 ] - [ -0.0000218800000000, 0.0001113100000000, 0.0003418200000000 ] - [ -0.0001232400000000, 0.0001472400000000, 0.0002320400000000 ] - [ 0.0016571900000000, -0.0015277500000000, 0.0007327700000000 ] - [ -0.0007868400000000, -0.0018171700000000, 0.0010023100000000 ] - [ -0.0017337500000000, -0.0006811600000000, -0.0008916100000000 ] - [ -0.0026155400000000, -0.0005969600000000, -0.0006540600000000 ] - [ -0.0020762100000000, 0.0003243800000000, 0.0007856100000000 ] - [ -0.0021082700000000, 0.0003034000000000, 0.0007122000000000 ] - [ 0.0017766500000000, 0.0020520400000000, 0.0000759100000000 ] - [ 0.0061506400000000, 0.0002565400000000, 0.0046053800000000 ] - [ 0.0018429600000000, 0.0005822800000000, -0.0001707900000000 ] - [ 0.0022110200000000, 0.0002445700000000, -0.0002489700000000 ] - [ 0.0010311700000000, 0.0003501200000000, -0.0004476100000000 ] - [ -0.0010939700000000, -0.0004797600000000, -0.0009692700000000 ] - [ 0.0003929700000000, 0.0003435000000000, 0.0002712300000000 ] - [ 0.0005425900000000, 0.0005166700000000, 0.0001669800000000 ] - [ 0.0005097600000000, -0.0013345800000000, 0.0003224000000000 ] - [ 0.0005074000000000, -0.0018669400000000, 0.0007411500000000 ] - [ -0.0001606600000000, -0.0009014400000000, 0.0006911300000000 ] - [ 0.0001864000000000, -0.0007637600000000, 0.0006123200000000 ] - [ -0.0008380900000000, 0.0007132200000000, -0.0002834900000000 ] - [ 0.0135621600000000, -0.0105437100000000, -0.0016209200000000 ] - [ 0.0002075100000000, -0.0003710400000000, 0.0005340400000000 ] - [ 0.0001452700000000, -0.0004533200000000, 0.0004346200000000 ]- atom: 69 displacement: [ -0.0045611250918810, 0.0000000000000000, 0.0088992211960493 ] forces: - [ -0.0028725900000000, -0.0008999100000000, 0.0045042300000000 ] - [ 0.0012775500000000, -0.0000353300000000, 0.0003198900000000 ] - [ 0.0001646800000000, 0.0000332100000000, -0.0001357900000000 ] - [ -0.0000862900000000, 0.0000580900000000, -0.0001160300000000 ] - [ 0.0001503400000000, 0.0000329800000000, -0.0000065900000000 ] - [ -0.0004914100000000, -0.0009032700000000, -0.0001242000000000 ] - [ -0.0001786800000000, 0.0001802900000000, -0.0006238100000000 ] - [ 0.0001024900000000, 0.0000750400000000, -0.0005624400000000 ] - [ 0.0008454200000000, -0.0004860300000000, -0.0006798200000000 ] - [ -0.0002520600000000, -0.0001561100000000, 0.0002804200000000 ] - [ 0.0005071900000000, 0.0002998200000000, -0.0011976600000000 ] - [ -0.0001361000000000, 0.0000378200000000, 0.0003100300000000 ] - [ -0.0001111700000000, -0.0000285700000000, -0.0004636800000000 ] - [ 0.0000096900000000, 0.0000565900000000, -0.0006269600000000 ] - [ 0.0000725200000000, 0.0004035200000000, 0.0002317900000000 ] - [ -0.0001142800000000, -0.0003824700000000, -0.0002170000000000 ] - [ 0.0013431000000000, 0.0000625200000000, -0.0011460000000000 ] - [ 0.0010256600000000, -0.0000332000000000, -0.0012353600000000 ] - [ 0.0007689500000000, 0.0007690800000000, 0.0001347500000000 ] - [ 0.0018863700000000, 0.0005038800000000, -0.0005813700000000 ] - [ -0.0004383600000000, -0.0003213400000000, 0.0002966600000000 ] - [ -0.0041801900000000, 0.0015243600000000, -0.0028563800000000 ] - [ -0.0026019000000000, -0.0004166300000000, -0.0012484000000000 ] - [ -0.0004254700000000, -0.0001498300000000, 0.0000463800000000 ] - [ 0.0010537000000000, 0.0004729000000000, -0.0000483700000000 ] - [ -0.0008825300000000, 0.0017951900000000, -0.0006963600000000 ] - [ 0.0001208400000000, 0.0000827300000000, -0.0000632100000000 ] - [ 0.0009669300000000, 0.0001707400000000, -0.0001688900000000 ] - [ 0.0030179600000000, -0.0297010900000000, 0.0400318700000000 ] - [ 0.0009914700000000, 0.0002741400000000, 0.0001515800000000 ] - [ -0.0004457200000000, 0.0002164400000000, -0.0005110100000000 ] - [ -0.0010691000000000, -0.0000171500000000, -0.0008868400000000 ] - [ 0.0003936800000000, -0.0005029000000000, -0.0004205500000000 ] - [ 0.0006085100000000, -0.0005496100000000, -0.0005153900000000 ] - [ 0.0001761800000000, -0.0024143100000000, 0.0031071700000000 ] - [ 0.0016673200000000, 0.0028124800000000, 0.0036787800000000 ] - [ 0.0007759900000000, 0.0008994200000000, -0.0010455400000000 ] - [ -0.0012729300000000, -0.0002958400000000, 0.0007239000000000 ] - [ -0.0002992900000000, -0.0010208900000000, -0.0011332800000000 ] - [ -0.0005730100000000, -0.0004086500000000, -0.0002260900000000 ] - [ 0.0016749500000000, -0.0004371000000000, -0.0006204700000000 ] - [ 0.0006544700000000, 0.0001461800000000, -0.0000253900000000 ] - [ 0.0010135400000000, 0.0003386200000000, -0.0012787800000000 ] - [ 0.0011838400000000, -0.0000182500000000, -0.0011040000000000 ] - [ 0.0034224500000000, -0.0004012100000000, 0.0020801000000000 ] - [ -0.0019414200000000, 0.0006011600000000, 0.0063137000000000 ] - [ -0.0011028200000000, 0.0000238200000000, -0.0000548200000000 ] - [ -0.0009065700000000, 0.0000699500000000, -0.0001232200000000 ] - [ -0.0001965600000000, 0.0004920200000000, -0.0001962800000000 ] - [ -0.0000105000000000, 0.0005924400000000, -0.0002087100000000 ] - [ 0.0002096600000000, 0.0002142800000000, -0.0007837200000000 ] - [ -0.0006824500000000, 0.0000308700000000, -0.0004393400000000 ] - [ -0.0005809400000000, 0.0006363500000000, -0.0003447100000000 ] - [ 0.0008829700000000, 0.0001281400000000, -0.0008404600000000 ] - [ 0.0000839300000000, 0.0011512500000000, 0.0002138400000000 ] - [ -0.0001477900000000, 0.0007049600000000, -0.0005615100000000 ] - [ -0.0008189500000000, -0.0004889700000000, 0.0001396200000000 ] - [ 0.0002387700000000, -0.0002675300000000, 0.0001744900000000 ] - [ 0.0002810300000000, -0.0002598800000000, 0.0008549700000000 ] - [ -0.0008534000000000, -0.0006483700000000, 0.0000221400000000 ] - [ -0.0021596200000000, -0.0003622200000000, 0.0006180100000000 ] - [ -0.0018245700000000, -0.0005844500000000, 0.0006752100000000 ] - [ -0.0019481400000000, -0.0004530000000000, 0.0001184400000000 ] - [ -0.0022518300000000, -0.0003404600000000, 0.0004105500000000 ] - [ 0.0019713400000000, -0.0002576500000000, 0.0001286500000000 ] - [ 0.0022100100000000, -0.0002478400000000, 0.0007620500000000 ] - [ 0.0041600600000000, 0.0001662900000000, -0.0001429500000000 ] - [ 0.0015384200000000, -0.0004333800000000, 0.0003089100000000 ] - [ 0.0136553300000000, 0.0210117200000000, -0.0314494400000000 ] - [ -0.0006391500000000, 0.0002229000000000, -0.0004978400000000 ] - [ 0.0000460400000000, -0.0002073300000000, -0.0001278800000000 ] - [ 0.0002562300000000, -0.0003005200000000, -0.0000539400000000 ] - [ -0.0022739700000000, 0.0046796000000000, -0.0075930100000000 ] - [ -0.0005574600000000, -0.0001120800000000, -0.0002935400000000 ] - [ -0.0001456500000000, 0.0001923800000000, 0.0002857100000000 ] - [ 0.0000502900000000, 0.0002955200000000, 0.0004331700000000 ] - [ 0.0004222000000000, -0.0004840700000000, 0.0001684400000000 ] - [ 0.0005522900000000, -0.0005665800000000, 0.0002596400000000 ] - [ 0.0007762800000000, -0.0008279200000000, -0.0001889100000000 ] - [ 0.0001637700000000, -0.0003650500000000, 0.0000510800000000 ] - [ -0.0001651500000000, 0.0002506200000000, -0.0003073100000000 ] - [ 0.0007429400000000, -0.0020954000000000, 0.0016121900000000 ] - [ 0.0001891000000000, 0.0001452500000000, 0.0001510800000000 ] - [ -0.0001235100000000, 0.0002327500000000, 0.0001510100000000 ] - [ -0.0002776500000000, -0.0003564900000000, 0.0001587100000000 ] - [ -0.0000995500000000, -0.0007258800000000, 0.0002267400000000 ] - [ 0.0000162100000000, -0.0000926100000000, 0.0003842700000000 ] - [ -0.0001676600000000, -0.0001818300000000, 0.0003625100000000 ] - [ -0.0000287900000000, 0.0005870400000000, 0.0007211400000000 ] - [ -0.0000485800000000, 0.0006520000000000, 0.0008402900000000 ] - [ 0.0028569900000000, -0.0003207000000000, -0.0006797600000000 ] - [ -0.0011100400000000, -0.0000038800000000, 0.0004495500000000 ] - [ -0.0000003500000000, 0.0006673600000000, 0.0003005800000000 ] - [ 0.0007229900000000, 0.0005667500000000, 0.0021772200000000 ] - [ 0.0006543300000000, 0.0001071200000000, 0.0006467400000000 ] - [ -0.0000704800000000, 0.0004609900000000, 0.0005967500000000 ] - [ -0.0005026700000000, 0.0000669300000000, -0.0002702400000000 ] - [ -0.0001617400000000, -0.0004291200000000, -0.0005033500000000 ] - [ -0.0000792100000000, -0.0008555200000000, 0.0000388600000000 ] - [ -0.0000014900000000, -0.0006065200000000, -0.0002584200000000 ] - [ -0.0091299300000000, 0.0118512100000000, -0.0093439100000000 ] - [ -0.0012571300000000, -0.0013876000000000, -0.0007245100000000 ] - [ -0.0000954500000000, -0.0006455700000000, -0.0004154800000000 ] - [ 0.0000551000000000, -0.0005693200000000, -0.0004168100000000 ] - [ -0.0004428300000000, -0.0003927400000000, 0.0002295100000000 ] - [ 0.0002446100000000, 0.0002447600000000, -0.0002839900000000 ] - [ -0.0001181700000000, 0.0005797100000000, 0.0003898000000000 ] - [ 0.0003394300000000, 0.0004060600000000, -0.0002349600000000 ] - [ -0.0000658900000000, -0.0004815000000000, 0.0004932000000000 ] - [ 0.0000785900000000, -0.0002792700000000, 0.0000885900000000 ] - [ -0.0002818400000000, 0.0001225900000000, 0.0000909400000000 ] - [ -0.0000897600000000, -0.0001172400000000, -0.0001371400000000 ] - [ -0.0061012000000000, -0.0014907200000000, -0.0015831500000000 ] - [ -0.0016589100000000, 0.0012923000000000, -0.0011535200000000 ] - [ -0.0005695300000000, 0.0004847300000000, 0.0001875300000000 ] - [ -0.0005293800000000, 0.0004665000000000, 0.0001726700000000 ] - [ 0.0002119700000000, -0.0000221300000000, 0.0002175900000000 ] - [ -0.0000162700000000, 0.0000002900000000, 0.0003597100000000 ] - [ 0.0000074700000000, -0.0000462700000000, -0.0004844500000000 ] - [ -0.0024135400000000, -0.0054222200000000, -0.0001293600000000 ] - [ -0.0000344500000000, 0.0001749000000000, 0.0003563700000000 ] - [ -0.0001542900000000, 0.0002267100000000, 0.0003727600000000 ] - [ 0.0001153100000000, 0.0005923400000000, -0.0004375700000000 ] - [ 0.0004146000000000, -0.0007619300000000, -0.0000577700000000 ] - [ -0.0019958200000000, 0.0003925300000000, -0.0001554700000000 ] - [ -0.0022124000000000, 0.0000304800000000, -0.0005069500000000 ] - [ -0.0021038600000000, 0.0003636100000000, 0.0008675700000000 ] - [ -0.0020988300000000, 0.0003997100000000, 0.0008063100000000 ] - [ 0.0016417000000000, 0.0006492400000000, 0.0000722300000000 ] - [ 0.0045277800000000, -0.0002876300000000, -0.0016269700000000 ] - [ 0.0020737600000000, 0.0002615100000000, 0.0003852100000000 ] - [ 0.0020012900000000, 0.0002863700000000, 0.0002079500000000 ] - [ 0.0002809600000000, 0.0005062200000000, 0.0000295300000000 ] - [ 0.0007710300000000, 0.0005467100000000, -0.0002696000000000 ] - [ 0.0004794700000000, 0.0003974200000000, 0.0002484800000000 ] - [ 0.0004112200000000, 0.0004749200000000, 0.0001989900000000 ] - [ -0.0004330900000000, -0.0006465200000000, 0.0007275100000000 ] - [ 0.0006744200000000, -0.0008937900000000, 0.0002758800000000 ] - [ 0.0001822000000000, -0.0004750700000000, 0.0006913100000000 ] - [ -0.0001780400000000, -0.0005172200000000, 0.0007618600000000 ] - [ -0.0014672300000000, -0.0014224400000000, 0.0000534100000000 ] - [ -0.0017633800000000, 0.0021183400000000, -0.0015868700000000 ] - [ 0.0002975600000000, -0.0003348800000000, 0.0005343800000000 ] - [ 0.0001555700000000, -0.0004166800000000, 0.0005603300000000 ]- atom: 69 displacement: [ 0.0045611250918810, 0.0000000000000000, -0.0088992211960493 ] forces: - [ 0.0030398200000000, 0.0010369900000000, -0.0040882800000000 ] - [ -0.0011916900000000, 0.0000644000000000, 0.0001271000000000 ] - [ -0.0000714300000000, -0.0000042000000000, 0.0005807400000000 ] - [ 0.0001788400000000, -0.0000280700000000, 0.0005609700000000 ] - [ -0.0002453800000000, -0.0000044800000000, -0.0004366300000000 ] - [ 0.0003984100000000, 0.0009305000000000, -0.0002896600000000 ] - [ 0.0000857100000000, -0.0001510100000000, 0.0001767000000000 ] - [ -0.0001967700000000, -0.0000472800000000, 0.0001189500000000 ] - [ -0.0007450400000000, 0.0004521600000000, 0.0011229500000000 ] - [ 0.0003427000000000, 0.0001251300000000, 0.0001640100000000 ] - [ -0.0004161200000000, -0.0003342200000000, 0.0016518700000000 ] - [ 0.0002265100000000, -0.0000672400000000, 0.0001314900000000 ] - [ 0.0000177100000000, -0.0000002100000000, 0.0000165800000000 ] - [ -0.0001033900000000, -0.0000849900000000, 0.0001824400000000 ] - [ -0.0001680000000000, -0.0004305600000000, -0.0006783900000000 ] - [ 0.0000223800000000, 0.0003539000000000, -0.0002298900000000 ] - [ 0.0009372400000000, -0.0000272300000000, -0.0003236300000000 ] - [ 0.0012551100000000, 0.0000684400000000, -0.0002345700000000 ] - [ 0.0015175400000000, -0.0007243400000000, -0.0016128900000000 ] - [ 0.0003889000000000, -0.0004704800000000, -0.0008889200000000 ] - [ -0.0018451700000000, 0.0003559100000000, 0.0011765200000000 ] - [ 0.0018805000000000, -0.0014808900000000, 0.0043038600000000 ] - [ 0.0003452300000000, 0.0004548500000000, 0.0027043300000000 ] - [ -0.0018599700000000, 0.0001854800000000, 0.0014256300000000 ] - [ 0.0001015400000000, 0.0001813900000000, 0.0000924700000000 ] - [ 0.0020452500000000, -0.0011392000000000, 0.0007421200000000 ] - [ 0.0010387200000000, 0.0005716200000000, 0.0001025900000000 ] - [ 0.0001889700000000, 0.0004821600000000, 0.0002108900000000 ] - [ -0.0037355400000000, 0.0295578400000000, -0.0395412600000000 ] - [ -0.0021587700000000, 0.0003740500000000, -0.0001957900000000 ] - [ -0.0007122700000000, 0.0004347500000000, 0.0004690200000000 ] - [ -0.0000917600000000, 0.0006657400000000, 0.0008399000000000 ] - [ 0.0007635300000000, -0.0001495800000000, 0.0004630900000000 ] - [ 0.0005501800000000, -0.0001032600000000, 0.0005572800000000 ] - [ 0.0009673000000000, 0.0017512000000000, -0.0030508600000000 ] - [ -0.0004928100000000, -0.0034808000000000, -0.0036746100000000 ] - [ -0.0019263400000000, -0.0015423000000000, 0.0010063200000000 ] - [ 0.0001090100000000, -0.0003489900000000, -0.0007724300000000 ] - [ -0.0008570500000000, 0.0003767100000000, 0.0010950500000000 ] - [ -0.0005890500000000, -0.0002426400000000, 0.0001816700000000 ] - [ 0.0006012200000000, 0.0004059600000000, -0.0008417600000000 ] - [ 0.0016302100000000, -0.0001793500000000, -0.0014447400000000 ] - [ 0.0012700000000000, -0.0003757800000000, -0.0001930900000000 ] - [ 0.0010952800000000, -0.0000158700000000, -0.0003684900000000 ] - [ -0.0057183300000000, 0.0003516400000000, -0.0006072500000000 ] - [ -0.0003221100000000, -0.0006262300000000, -0.0048238000000000 ] - [ -0.0011788100000000, -0.0000590800000000, 0.0015247000000000 ] - [ -0.0013730800000000, -0.0001041100000000, 0.0015914600000000 ] - [ -0.0000946700000000, 0.0004576300000000, -0.0005115500000000 ] - [ -0.0002809400000000, 0.0003570300000000, -0.0004986900000000 ] - [ -0.0005039000000000, 0.0007346700000000, 0.0000777300000000 ] - [ 0.0003943200000000, 0.0009191500000000, -0.0002687400000000 ] - [ 0.0006193200000000, 0.0005386900000000, -0.0009062100000000 ] - [ -0.0008402100000000, 0.0010431900000000, -0.0004097200000000 ] - [ -0.0000484700000000, 0.0000219700000000, -0.0014678300000000 ] - [ 0.0001901200000000, 0.0004697100000000, -0.0006897500000000 ] - [ -0.0001410400000000, -0.0004952900000000, -0.0002499800000000 ] - [ -0.0011949500000000, -0.0007151500000000, -0.0002825800000000 ] - [ -0.0012579000000000, -0.0007184100000000, -0.0009678000000000 ] - [ -0.0001036100000000, -0.0003350300000000, -0.0001315900000000 ] - [ -0.0020008700000000, -0.0003092800000000, 0.0001077400000000 ] - [ -0.0023370000000000, -0.0000865700000000, 0.0000513600000000 ] - [ -0.0022146700000000, -0.0002190800000000, 0.0006148400000000 ] - [ -0.0019087400000000, -0.0003306700000000, 0.0003182800000000 ] - [ 0.0021896700000000, -0.0004131200000000, -0.0008569500000000 ] - [ 0.0019511300000000, -0.0004217400000000, -0.0014816600000000 ] - [ -0.0000072500000000, -0.0008304900000000, -0.0005543000000000 ] - [ 0.0026258800000000, -0.0002358500000000, -0.0010403700000000 ] - [ -0.0138554600000000, -0.0208830000000000, 0.0304217000000000 ] - [ 0.0008522200000000, -0.0006336100000000, -0.0000346500000000 ] - [ 0.0001637200000000, -0.0002032000000000, -0.0004047400000000 ] - [ -0.0000458400000000, -0.0001104300000000, -0.0004779300000000 ] - [ 0.0021284100000000, -0.0043575900000000, 0.0076078100000000 ] - [ 0.0003981600000000, 0.0004125500000000, 0.0003373600000000 ] - [ -0.0000176700000000, 0.0001057800000000, -0.0002427200000000 ] - [ -0.0002131400000000, 0.0000034300000000, -0.0003884800000000 ] - [ 0.0005381800000000, -0.0005012600000000, -0.0000588800000000 ] - [ 0.0004074300000000, -0.0004186900000000, -0.0001500300000000 ] - [ 0.0001835800000000, -0.0001591000000000, 0.0003002800000000 ] - [ 0.0007960100000000, -0.0006209100000000, 0.0000590600000000 ] - [ 0.0003309700000000, 0.0000449600000000, 0.0002660700000000 ] - [ -0.0005798800000000, 0.0023876500000000, -0.0016548200000000 ] - [ -0.0000260200000000, 0.0001514600000000, -0.0001924500000000 ] - [ 0.0002873000000000, 0.0000633700000000, -0.0001931300000000 ] - [ 0.0000663800000000, -0.0000569500000000, 0.0003737500000000 ] - [ -0.0001133700000000, 0.0003069700000000, 0.0003025600000000 ] - [ -0.0002274100000000, -0.0003205000000000, 0.0001493100000000 ] - [ -0.0000429300000000, -0.0002306500000000, 0.0001706600000000 ] - [ -0.0000113700000000, 0.0005890000000000, 0.0005295200000000 ] - [ 0.0000077000000000, 0.0005247200000000, 0.0004112800000000 ] - [ -0.0028835400000000, 0.0014986000000000, 0.0019175100000000 ] - [ 0.0010785000000000, 0.0011852100000000, 0.0008057500000000 ] - [ 0.0002911100000000, 0.0002835900000000, 0.0004063800000000 ] - [ -0.0004301100000000, 0.0003942200000000, -0.0014527600000000 ] - [ -0.0003653600000000, 0.0008409500000000, 0.0000644100000000 ] - [ 0.0003619100000000, 0.0004896700000000, 0.0001096700000000 ] - [ 0.0002126500000000, -0.0010162500000000, -0.0004417700000000 ] - [ -0.0001304700000000, -0.0005196100000000, -0.0002045300000000 ] - [ -0.0002123200000000, -0.0000928800000000, -0.0007473000000000 ] - [ -0.0002881900000000, -0.0003445500000000, -0.0004475900000000 ] - [ 0.0090086200000000, -0.0129587600000000, 0.0080916200000000 ] - [ 0.0013012900000000, 0.0002194500000000, -0.0005258800000000 ] - [ 0.0001354400000000, -0.0005300200000000, -0.0008353400000000 ] - [ -0.0000151500000000, -0.0006058800000000, -0.0008328500000000 ] - [ 0.0006478800000000, 0.0007989500000000, -0.0007599600000000 ] - [ -0.0000318900000000, 0.0001677600000000, -0.0002477700000000 ] - [ 0.0003296200000000, -0.0001716200000000, -0.0009292100000000 ] - [ -0.0001272700000000, 0.0000078200000000, -0.0002963300000000 ] - [ -0.0000972700000000, 0.0001825300000000, -0.0004512500000000 ] - [ -0.0002396700000000, -0.0000207300000000, -0.0000431200000000 ] - [ 0.0001188400000000, -0.0004217700000000, -0.0000471800000000 ] - [ -0.0000727200000000, -0.0001808000000000, 0.0001814400000000 ] - [ 0.0051305700000000, 0.0024602500000000, 0.0014522300000000 ] - [ 0.0007155900000000, -0.0003254200000000, 0.0010529300000000 ] - [ -0.0003907500000000, 0.0005004000000000, -0.0002970600000000 ] - [ -0.0004305800000000, 0.0005180300000000, -0.0002813600000000 ] - [ -0.0000483300000000, -0.0002749800000000, -0.0002596000000000 ] - [ 0.0001785000000000, -0.0002971800000000, -0.0004013900000000 ] - [ 0.0001591700000000, -0.0002491300000000, 0.0004433900000000 ] - [ 0.0026212900000000, 0.0052158000000000, 0.0000728300000000 ] - [ -0.0001760800000000, 0.0002361700000000, 0.0001763200000000 ] - [ -0.0000564900000000, 0.0001848600000000, 0.0001597100000000 ] - [ -0.0003224500000000, -0.0001814100000000, 0.0009681700000000 ] - [ -0.0006339400000000, 0.0011814700000000, 0.0005956500000000 ] - [ -0.0021629600000000, 0.0002751700000000, 0.0008777000000000 ] - [ -0.0019487900000000, 0.0006405300000000, 0.0012350800000000 ] - [ -0.0020574700000000, 0.0003075900000000, -0.0001397100000000 ] - [ -0.0020621600000000, 0.0002713000000000, -0.0000779200000000 ] - [ 0.0025207600000000, 0.0000238300000000, -0.0008042600000000 ] - [ -0.0003595100000000, 0.0009566000000000, 0.0009123000000000 ] - [ 0.0020859000000000, 0.0004097800000000, -0.0011112300000000 ] - [ 0.0021604100000000, 0.0003839700000000, -0.0009343500000000 ] - [ 0.0006806000000000, 0.0004788800000000, 0.0000786600000000 ] - [ 0.0001811800000000, 0.0004354600000000, 0.0003766900000000 ] - [ 0.0004793300000000, 0.0005878700000000, -0.0001382500000000 ] - [ 0.0005491500000000, 0.0005107000000000, -0.0000888800000000 ] - [ 0.0003944300000000, -0.0005312300000000, 0.0005220900000000 ] - [ -0.0007161700000000, -0.0002836900000000, 0.0009745600000000 ] - [ -0.0002243100000000, -0.0007011300000000, 0.0005602700000000 ] - [ 0.0001382300000000, -0.0006587900000000, 0.0004888600000000 ] - [ 0.0017580800000000, 0.0004755200000000, 0.0006543900000000 ] - [ 0.0020548500000000, -0.0030917200000000, 0.0022894200000000 ] - [ -0.0000068300000000, -0.0006151700000000, 0.0001737000000000 ] - [ 0.0001347600000000, -0.0005339500000000, 0.0001476000000000 ]- atom: 73 displacement: [ 0.0099996083916704, 0.0000000000000000, -0.0000884986623371 ] forces: - [ 0.0008543800000000, -0.0020294700000000, 0.0003746600000000 ] - [ -0.0013412100000000, -0.0000933000000000, 0.0002199000000000 ] - [ 0.0001247800000000, -0.0000256100000000, 0.0004315100000000 ] - [ -0.0000240200000000, -0.0001235400000000, 0.0000024100000000 ] - [ -0.0016435600000000, 0.0001302600000000, -0.0003035300000000 ] - [ 0.0054351400000000, -0.0000768300000000, -0.0027192300000000 ] - [ -0.0000170100000000, 0.0004753600000000, -0.0007998600000000 ] - [ -0.0001226300000000, 0.0000205600000000, 0.0007936400000000 ] - [ 0.0003834700000000, -0.0004761300000000, 0.0016585500000000 ] - [ -0.0003402600000000, 0.0007735500000000, -0.0004375700000000 ] - [ 0.0016785200000000, 0.0012789800000000, 0.0027813900000000 ] - [ -0.0008843000000000, 0.0000722200000000, -0.0003194000000000 ] - [ -0.0002277300000000, -0.0001575200000000, -0.0004479000000000 ] - [ 0.0001422700000000, -0.0000546000000000, -0.0000031600000000 ] - [ -0.0006692000000000, -0.0005073400000000, -0.0008726400000000 ] - [ 0.0004957900000000, -0.0026910900000000, 0.0000478500000000 ] - [ 0.0009185000000000, -0.0000423800000000, -0.0003299100000000 ] - [ 0.0014042800000000, 0.0000588500000000, -0.0016402900000000 ] - [ 0.0060650800000000, 0.0015232600000000, -0.0016660000000000 ] - [ -0.0038803400000000, -0.0041046200000000, -0.0004046500000000 ] - [ -0.0026695300000000, 0.0005572200000000, 0.0014343100000000 ] - [ 0.0001202400000000, 0.0008731600000000, 0.0002151800000000 ] - [ -0.0004375400000000, -0.0000870200000000, -0.0029294800000000 ] - [ -0.0021163100000000, 0.0010418600000000, 0.0012071700000000 ] - [ -0.0011356100000000, -0.0005796000000000, 0.0002058500000000 ] - [ 0.0024588100000000, -0.0007037700000000, -0.0001873100000000 ] - [ 0.0008046700000000, 0.0000368500000000, -0.0003355900000000 ] - [ 0.0005436200000000, -0.0005626200000000, 0.0009245500000000 ] - [ 0.0557156000000000, 0.0465537000000000, 0.0417790100000000 ] - [ -0.0054174100000000, 0.0018234300000000, 0.0000135700000000 ] - [ -0.0004884200000000, 0.0005595800000000, 0.0003587500000000 ] - [ -0.0005579100000000, 0.0004420700000000, -0.0004427000000000 ] - [ 0.0003598000000000, -0.0001540100000000, -0.0002105500000000 ] - [ 0.0009004000000000, -0.0001681700000000, 0.0003091900000000 ] - [ -0.0045801300000000, 0.0015633100000000, -0.0009686400000000 ] - [ -0.0091844400000000, -0.0049517800000000, 0.0097779700000000 ] - [ 0.0001566600000000, -0.0015339900000000, 0.0016487200000000 ] - [ -0.0008754600000000, -0.0007554900000000, -0.0002226600000000 ] - [ 0.0008513800000000, -0.0007918400000000, -0.0000003200000000 ] - [ -0.0016397600000000, -0.0008474800000000, -0.0003237400000000 ] - [ -0.0009415600000000, 0.0023037800000000, 0.0006892200000000 ] - [ 0.0001955700000000, -0.0009764500000000, -0.0036038800000000 ] - [ 0.0024483200000000, -0.0007371300000000, -0.0001078300000000 ] - [ 0.0001218600000000, 0.0003391900000000, -0.0005994800000000 ] - [ -0.0067817800000000, -0.0078315400000000, 0.0021108100000000 ] - [ 0.0012824000000000, 0.0019325400000000, 0.0008944000000000 ] - [ -0.0011846900000000, -0.0001178300000000, 0.0002324400000000 ] - [ -0.0010752600000000, -0.0000356100000000, 0.0007258600000000 ] - [ -0.0001532900000000, 0.0004855200000000, -0.0004548500000000 ] - [ -0.0000164700000000, 0.0006994600000000, -0.0001473600000000 ] - [ -0.0014563100000000, 0.0004081400000000, -0.0002591100000000 ] - [ 0.0015827500000000, 0.0022730300000000, -0.0001537300000000 ] - [ 0.0002365000000000, 0.0006608100000000, -0.0009220800000000 ] - [ -0.0000206300000000, 0.0007048700000000, -0.0005318500000000 ] - [ -0.0009272400000000, 0.0012352300000000, -0.0001615200000000 ] - [ 0.0007450000000000, 0.0004776300000000, -0.0007550000000000 ] - [ 0.0000720400000000, -0.0003296200000000, -0.0003793200000000 ] - [ -0.0010163100000000, -0.0010273100000000, 0.0002487200000000 ] - [ -0.0017958900000000, -0.0004779800000000, 0.0015538200000000 ] - [ 0.0001176200000000, -0.0005142000000000, -0.0001547600000000 ] - [ -0.0017912300000000, -0.0004251200000000, -0.0000675700000000 ] - [ -0.0026572000000000, 0.0000426100000000, 0.0015567300000000 ] - [ -0.0028593400000000, -0.0003380400000000, 0.0008281500000000 ] - [ -0.0012974600000000, 0.0004342600000000, -0.0005863900000000 ] - [ 0.0021678400000000, -0.0004620000000000, -0.0006787000000000 ] - [ 0.0019227900000000, -0.0003464000000000, -0.0001383000000000 ] - [ 0.0034497100000000, 0.0017581800000000, 0.0035704300000000 ] - [ 0.0023538700000000, -0.0006654100000000, -0.0006180300000000 ] - [ -0.0067113500000000, 0.0001174100000000, -0.0061316700000000 ] - [ 0.0020379500000000, -0.0017516600000000, 0.0001885100000000 ] - [ 0.0000970700000000, -0.0002362800000000, -0.0003470200000000 ] - [ 0.0001722100000000, -0.0002937600000000, -0.0000894300000000 ] - [ -0.0718817500000000, -0.0586329400000000, -0.0430775300000000 ] - [ 0.0013655600000000, 0.0003641600000000, 0.0001973900000000 ] - [ -0.0001177900000000, 0.0000451900000000, -0.0002412400000000 ] - [ -0.0001025100000000, 0.0000791300000000, 0.0002528600000000 ] - [ 0.0006827500000000, -0.0005111600000000, 0.0000083500000000 ] - [ 0.0000689900000000, -0.0003178600000000, 0.0001858600000000 ] - [ -0.0002557500000000, -0.0003036900000000, 0.0002607500000000 ] - [ 0.0014833000000000, 0.0001410600000000, -0.0001918300000000 ] - [ 0.0005733700000000, 0.0002766100000000, -0.0001324900000000 ] - [ -0.0007381100000000, 0.0009576000000000, -0.0007390500000000 ] - [ 0.0000696900000000, 0.0003249000000000, 0.0000880300000000 ] - [ -0.0001039100000000, 0.0003756200000000, -0.0003501600000000 ] - [ 0.0013044100000000, 0.0007162800000000, 0.0007148000000000 ] - [ -0.0011825600000000, 0.0000093200000000, 0.0004420200000000 ] - [ -0.0000793400000000, -0.0001646900000000, 0.0004001000000000 ] - [ -0.0000710800000000, 0.0000898800000000, 0.0000516400000000 ] - [ 0.0001983900000000, 0.0005970300000000, 0.0006086800000000 ] - [ -0.0002757500000000, 0.0004452700000000, 0.0006666500000000 ] - [ 0.0016298000000000, -0.0005613400000000, 0.0012960400000000 ] - [ 0.0062425600000000, 0.0029231800000000, -0.0052918900000000 ] - [ 0.0008757300000000, -0.0001451900000000, 0.0004995700000000 ] - [ -0.0016314800000000, 0.0002170400000000, 0.0005707300000000 ] - [ 0.0007471900000000, -0.0002127000000000, 0.0008919000000000 ] - [ 0.0006333900000000, -0.0002432000000000, -0.0002496500000000 ] - [ 0.0016080300000000, -0.0020533100000000, -0.0031960800000000 ] - [ 0.0015637500000000, -0.0015045100000000, 0.0002097600000000 ] - [ -0.0006959600000000, 0.0000242400000000, -0.0010900600000000 ] - [ 0.0003159200000000, -0.0009356100000000, -0.0000921400000000 ] - [ 0.0133791300000000, 0.0129665900000000, 0.0064501400000000 ] - [ 0.0027139600000000, -0.0024347500000000, -0.0010833700000000 ] - [ -0.0000140300000000, -0.0007001800000000, -0.0006576900000000 ] - [ 0.0000171000000000, -0.0006158800000000, -0.0005072500000000 ] - [ -0.0001625400000000, 0.0003198900000000, -0.0006324400000000 ] - [ 0.0003434200000000, 0.0003256500000000, -0.0001530500000000 ] - [ -0.0003596500000000, -0.0001305900000000, -0.0004924100000000 ] - [ 0.0008331500000000, 0.0007876000000000, 0.0002825100000000 ] - [ -0.0005292100000000, 0.0002165000000000, -0.0005090000000000 ] - [ 0.0001356900000000, 0.0001019800000000, 0.0001367700000000 ] - [ -0.0005323600000000, 0.0004482400000000, -0.0004982600000000 ] - [ 0.0001392500000000, -0.0000592200000000, 0.0003142400000000 ] - [ -0.0009009000000000, 0.0016349000000000, -0.0005026700000000 ] - [ -0.0006315100000000, 0.0004863600000000, -0.0000948300000000 ] - [ -0.0006646300000000, 0.0005898900000000, -0.0000123400000000 ] - [ -0.0004580700000000, 0.0004982900000000, -0.0000026400000000 ] - [ 0.0001235400000000, -0.0002203900000000, 0.0002526300000000 ] - [ -0.0000530000000000, -0.0001990700000000, -0.0003849700000000 ] - [ 0.0014429000000000, 0.0000423800000000, 0.0004740700000000 ] - [ -0.0001887700000000, -0.0038899700000000, -0.0075564800000000 ] - [ -0.0000001900000000, 0.0001112300000000, 0.0004658800000000 ] - [ -0.0001819300000000, 0.0002037600000000, 0.0001144300000000 ] - [ 0.0013062500000000, -0.0011419700000000, 0.0009090900000000 ] - [ -0.0001331100000000, 0.0043012600000000, -0.0025845200000000 ] - [ -0.0009538500000000, -0.0009397900000000, -0.0000636100000000 ] - [ 0.0000050600000000, 0.0032330600000000, 0.0035291200000000 ] - [ -0.0021343800000000, 0.0004159400000000, 0.0001788900000000 ] - [ -0.0020943600000000, 0.0002318900000000, 0.0003453500000000 ] - [ 0.0027981400000000, 0.0012888300000000, -0.0023344200000000 ] - [ 0.0016413100000000, -0.0000934300000000, -0.0004460900000000 ] - [ 0.0016428500000000, 0.0005932300000000, 0.0003617500000000 ] - [ 0.0022322300000000, 0.0002493400000000, -0.0003586100000000 ] - [ 0.0014492200000000, 0.0004693700000000, -0.0001853100000000 ] - [ 0.0054353200000000, 0.0037569600000000, 0.0042400600000000 ] - [ 0.0000187200000000, 0.0002607600000000, 0.0001144300000000 ] - [ 0.0008565300000000, 0.0005635600000000, -0.0001068000000000 ] - [ 0.0012017000000000, -0.0008674600000000, 0.0000889600000000 ] - [ -0.0012470800000000, 0.0005031900000000, 0.0012390800000000 ] - [ -0.0003230600000000, -0.0003720800000000, 0.0007646900000000 ] - [ 0.0002942900000000, -0.0005138200000000, 0.0004083200000000 ] - [ 0.0023970300000000, 0.0029160700000000, 0.0002404100000000 ] - [ -0.0009602700000000, -0.0001829000000000, 0.0004561200000000 ] - [ 0.0002860200000000, -0.0002676800000000, 0.0004981400000000 ] - [ 0.0001252300000000, -0.0004601900000000, 0.0002784000000000 ]- atom: 73 displacement: [ -0.0099996083916704, 0.0000000000000000, 0.0000884986623371 ] forces: - [ -0.0007663500000000, 0.0020190700000000, 0.0000937600000000 ] - [ 0.0014371700000000, 0.0001187900000000, 0.0002375500000000 ] - [ -0.0000297100000000, 0.0000515500000000, 0.0000312100000000 ] - [ 0.0001181300000000, 0.0001481400000000, 0.0004586600000000 ] - [ 0.0015417300000000, -0.0001041200000000, -0.0001619100000000 ] - [ -0.0054501800000000, 0.0001058200000000, 0.0021061900000000 ] - [ -0.0000777000000000, -0.0004432900000000, 0.0003386800000000 ] - [ 0.0000303400000000, 0.0000057600000000, -0.0012396500000000 ] - [ -0.0003004300000000, 0.0004461400000000, -0.0011906000000000 ] - [ 0.0004384900000000, -0.0007950900000000, 0.0008912500000000 ] - [ -0.0015663300000000, -0.0012957300000000, -0.0023106800000000 ] - [ 0.0009684600000000, -0.0000959400000000, 0.0007812800000000 ] - [ 0.0001343900000000, 0.0001301600000000, -0.0000147000000000 ] - [ -0.0002365200000000, 0.0000277100000000, -0.0004561700000000 ] - [ 0.0005663500000000, 0.0004814600000000, 0.0004140600000000 ] - [ -0.0005817200000000, 0.0026413900000000, -0.0005099700000000 ] - [ 0.0013736600000000, 0.0001249300000000, -0.0011179700000000 ] - [ 0.0008917900000000, 0.0000256200000000, 0.0001904500000000 ] - [ -0.0037615600000000, -0.0014278800000000, 0.0001981600000000 ] - [ 0.0061358100000000, 0.0041341600000000, -0.0010474000000000 ] - [ 0.0003723200000000, -0.0004732800000000, 0.0000093000000000 ] - [ -0.0023812400000000, -0.0008202800000000, 0.0012455100000000 ] - [ -0.0018579400000000, 0.0001671000000000, 0.0043373600000000 ] - [ -0.0001795700000000, -0.0009517600000000, 0.0002495300000000 ] - [ 0.0022560000000000, 0.0012286700000000, -0.0001672500000000 ] - [ -0.0013136800000000, 0.0013569900000000, 0.0002305600000000 ] - [ 0.0003244000000000, 0.0006104000000000, 0.0003765500000000 ] - [ 0.0005890800000000, 0.0012034100000000, -0.0008699100000000 ] - [ -0.0569864300000000, -0.0472164300000000, -0.0431221800000000 ] - [ 0.0042556400000000, -0.0011525800000000, -0.0000573500000000 ] - [ -0.0006397300000000, 0.0000927100000000, -0.0004003600000000 ] - [ -0.0005674900000000, 0.0002144300000000, 0.0004048700000000 ] - [ 0.0007708800000000, -0.0004951300000000, 0.0002508900000000 ] - [ 0.0002276000000000, -0.0004806000000000, -0.0002618900000000 ] - [ 0.0056967200000000, -0.0022196000000000, 0.0010084000000000 ] - [ 0.0103988900000000, 0.0042706400000000, -0.0096217600000000 ] - [ -0.0012945200000000, 0.0008811300000000, -0.0016945400000000 ] - [ -0.0002442100000000, 0.0000997100000000, 0.0001763900000000 ] - [ -0.0019646300000000, 0.0001329900000000, -0.0000428000000000 ] - [ 0.0005018600000000, 0.0001886200000000, 0.0002867700000000 ] - [ 0.0032156400000000, -0.0023700700000000, -0.0021401900000000 ] - [ 0.0021407000000000, 0.0009190700000000, 0.0021293000000000 ] - [ -0.0001434000000000, 0.0006521300000000, -0.0013362400000000 ] - [ 0.0021624100000000, -0.0004190800000000, -0.0008411200000000 ] - [ 0.0044870100000000, 0.0078079900000000, -0.0006405700000000 ] - [ -0.0035317400000000, -0.0019907900000000, 0.0005537800000000 ] - [ -0.0011059000000000, 0.0000341900000000, 0.0012100100000000 ] - [ -0.0012232200000000, -0.0000500900000000, 0.0007288200000000 ] - [ -0.0001428600000000, 0.0004543200000000, -0.0002521600000000 ] - [ -0.0002812700000000, 0.0002394400000000, -0.0005585700000000 ] - [ 0.0011513500000000, 0.0005336000000000, -0.0004449000000000 ] - [ -0.0018710900000000, -0.0013199300000000, -0.0005515600000000 ] - [ -0.0001960400000000, 0.0005093500000000, -0.0003087500000000 ] - [ 0.0000487900000000, 0.0004706900000000, -0.0006966100000000 ] - [ 0.0009536100000000, -0.0000570800000000, -0.0010631000000000 ] - [ -0.0007028700000000, 0.0006924000000000, -0.0004796900000000 ] - [ -0.0010287000000000, -0.0006503900000000, 0.0002659600000000 ] - [ 0.0000471200000000, 0.0000438900000000, -0.0003627400000000 ] - [ 0.0008338200000000, -0.0004960000000000, -0.0016487300000000 ] - [ -0.0010748900000000, -0.0004694000000000, 0.0000384100000000 ] - [ -0.0023609400000000, -0.0002513400000000, 0.0007705300000000 ] - [ -0.0015014900000000, -0.0007163100000000, -0.0008494400000000 ] - [ -0.0012982700000000, -0.0003373900000000, -0.0001235500000000 ] - [ -0.0028477100000000, -0.0010987100000000, 0.0012735200000000 ] - [ 0.0019867600000000, -0.0002134500000000, -0.0000231100000000 ] - [ 0.0022296800000000, -0.0003255900000000, -0.0005766200000000 ] - [ 0.0007254400000000, -0.0024176100000000, -0.0042615800000000 ] - [ 0.0017991600000000, -0.0000146900000000, -0.0000892600000000 ] - [ 0.0069452100000000, -0.0004834300000000, 0.0056653000000000 ] - [ -0.0018140300000000, 0.0013287000000000, -0.0007162300000000 ] - [ 0.0001166500000000, -0.0001753600000000, -0.0001860700000000 ] - [ 0.0000414000000000, -0.0001181700000000, -0.0004424000000000 ] - [ 0.0716896500000000, 0.0603867700000000, 0.0446723300000000 ] - [ -0.0015172700000000, -0.0000675400000000, -0.0001490500000000 ] - [ -0.0000423200000000, 0.0002490300000000, 0.0002827500000000 ] - [ -0.0000586300000000, 0.0002139400000000, -0.0002094800000000 ] - [ 0.0002790100000000, -0.0004701000000000, 0.0001051100000000 ] - [ 0.0008890200000000, -0.0006616300000000, -0.0000725500000000 ] - [ 0.0012187200000000, -0.0006777300000000, -0.0001456000000000 ] - [ -0.0005245800000000, -0.0011109800000000, 0.0003034000000000 ] - [ -0.0004120900000000, 0.0000174900000000, 0.0000916800000000 ] - [ 0.0008973800000000, -0.0006587200000000, 0.0006905800000000 ] - [ 0.0000924500000000, -0.0000277200000000, -0.0001332800000000 ] - [ 0.0002622600000000, -0.0000783400000000, 0.0003011800000000 ] - [ -0.0015110500000000, -0.0011247900000000, -0.0001786500000000 ] - [ 0.0009611900000000, -0.0004377900000000, 0.0000843300000000 ] - [ -0.0001328700000000, -0.0002476600000000, 0.0001319900000000 ] - [ -0.0001436400000000, -0.0005003100000000, 0.0004771000000000 ] - [ -0.0002328300000000, 0.0005730700000000, 0.0006219100000000 ] - [ 0.0002413800000000, 0.0007233900000000, 0.0005608100000000 ] - [ -0.0016589700000000, 0.0017293100000000, -0.0000837100000000 ] - [ -0.0061521100000000, -0.0017068100000000, 0.0063853600000000 ] - [ -0.0005754100000000, 0.0010816100000000, 0.0002085900000000 ] - [ 0.0019174100000000, 0.0007552200000000, 0.0000941000000000 ] - [ -0.0004404600000000, 0.0011419000000000, -0.0001818500000000 ] - [ -0.0003366400000000, 0.0011784500000000, 0.0009498300000000 ] - [ -0.0018925400000000, 0.0011070900000000, 0.0024976900000000 ] - [ -0.0018564700000000, 0.0005579900000000, -0.0009103500000000 ] - [ 0.0003940600000000, -0.0009618300000000, 0.0003793100000000 ] - [ -0.0006081100000000, -0.0000075900000000, -0.0006142200000000 ] - [ -0.0135875000000000, -0.0144358800000000, -0.0077612900000000 ] - [ -0.0026622200000000, 0.0012360800000000, -0.0001432500000000 ] - [ 0.0000481500000000, -0.0004710400000000, -0.0005720500000000 ] - [ 0.0000198000000000, -0.0005545400000000, -0.0007242200000000 ] - [ 0.0003816000000000, 0.0000989400000000, 0.0001000400000000 ] - [ -0.0001311500000000, 0.0000874800000000, -0.0003783900000000 ] - [ 0.0005683300000000, 0.0005422700000000, -0.0000408200000000 ] - [ -0.0006103700000000, -0.0003681200000000, -0.0008119300000000 ] - [ 0.0003694800000000, -0.0005107000000000, 0.0005531700000000 ] - [ -0.0002976600000000, -0.0003932700000000, -0.0000922700000000 ] - [ 0.0003662800000000, -0.0007353900000000, 0.0005372800000000 ] - [ -0.0002968500000000, -0.0002331800000000, -0.0002725900000000 ] - [ -0.0000373000000000, -0.0006615600000000, 0.0003845600000000 ] - [ -0.0003372600000000, 0.0004956800000000, -0.0000182100000000 ] - [ -0.0002979300000000, 0.0003928000000000, -0.0001007900000000 ] - [ -0.0004996100000000, 0.0004828200000000, -0.0001124300000000 ] - [ 0.0000361100000000, -0.0000758000000000, -0.0002960300000000 ] - [ 0.0002155400000000, -0.0000965600000000, 0.0003370500000000 ] - [ -0.0012743400000000, -0.0003367300000000, -0.0005191700000000 ] - [ 0.0003243400000000, 0.0035489500000000, 0.0074336800000000 ] - [ -0.0002123300000000, 0.0002996300000000, 0.0000672400000000 ] - [ -0.0000302600000000, 0.0002072400000000, 0.0004164400000000 ] - [ -0.0015116300000000, 0.0015515300000000, -0.0003762500000000 ] - [ -0.0001064700000000, -0.0038427700000000, 0.0030821700000000 ] - [ -0.0032008500000000, 0.0016219200000000, 0.0007717100000000 ] - [ -0.0041415800000000, -0.0025184400000000, -0.0027718000000000 ] - [ -0.0020206800000000, 0.0002596600000000, 0.0005233500000000 ] - [ -0.0020589100000000, 0.0004422900000000, 0.0003536500000000 ] - [ 0.0013518800000000, -0.0006201300000000, 0.0016393700000000 ] - [ 0.0025055100000000, 0.0007672200000000, -0.0002537000000000 ] - [ 0.0025070600000000, 0.0000853500000000, -0.0010569700000000 ] - [ 0.0019240600000000, 0.0004264800000000, -0.0003493400000000 ] - [ -0.0004811100000000, 0.0005129500000000, 0.0003005900000000 ] - [ -0.0044607500000000, -0.0027704100000000, -0.0040704300000000 ] - [ 0.0009384600000000, 0.0007180700000000, -0.0000013400000000 ] - [ 0.0001078500000000, 0.0004181500000000, 0.0002161600000000 ] - [ -0.0012290400000000, -0.0003055100000000, 0.0011402100000000 ] - [ 0.0012024700000000, -0.0016669800000000, -0.0000049400000000 ] - [ 0.0002864100000000, -0.0007963200000000, 0.0004668200000000 ] - [ -0.0003273600000000, -0.0006551200000000, 0.0008190900000000 ] - [ -0.0021019200000000, -0.0038716600000000, 0.0004668700000000 ] - [ 0.0012386300000000, -0.0007517000000000, 0.0002510000000000 ] - [ 0.0000131000000000, -0.0006686300000000, 0.0002089000000000 ] - [ 0.0001733800000000, -0.0004774900000000, 0.0004268000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004403100000000, -0.0070205200000000, 0.0016525900000000 ] - [ -0.0004408200000000, -0.0002471300000000, 0.0004339200000000 ] - [ 0.0001641700000000, -0.0001009100000000, 0.0001608700000000 ] - [ -0.0000532800000000, -0.0002608600000000, 0.0000368500000000 ] - [ -0.0004108200000000, 0.0003325100000000, -0.0000983300000000 ] - [ -0.0004934100000000, 0.0064657000000000, 0.0052780400000000 ] - [ 0.0000005200000000, 0.0009214800000000, -0.0005541000000000 ] - [ -0.0000459400000000, 0.0001748700000000, 0.0000894900000000 ] - [ -0.0001216600000000, 0.0010768200000000, 0.0009013200000000 ] - [ 0.0000616600000000, 0.0007149400000000, -0.0000961600000000 ] - [ 0.0012790800000000, 0.0006434400000000, 0.0002740000000000 ] - [ -0.0008780500000000, 0.0003421500000000, 0.0001049900000000 ] - [ -0.0001534800000000, -0.0002352500000000, -0.0003850500000000 ] - [ 0.0000803500000000, -0.0001963900000000, -0.0003262500000000 ] - [ 0.0007746400000000, -0.0009103900000000, -0.0004608400000000 ] - [ -0.0005855100000000, -0.0029594300000000, 0.0000972100000000 ] - [ 0.0011444600000000, -0.0001202500000000, -0.0011532400000000 ] - [ 0.0012196000000000, 0.0000042300000000, -0.0018958600000000 ] - [ 0.0043340100000000, -0.0038762000000000, 0.0045227800000000 ] - [ -0.0012438100000000, -0.0018296100000000, -0.0003861500000000 ] - [ -0.0019653200000000, 0.0005418000000000, 0.0012863800000000 ] - [ -0.0000630500000000, -0.0007193700000000, 0.0023608100000000 ] - [ -0.0004417800000000, 0.0002880600000000, -0.0051419100000000 ] - [ -0.0011984600000000, 0.0003360300000000, 0.0005633100000000 ] - [ 0.0004628800000000, -0.0007625000000000, -0.0000753300000000 ] - [ -0.0000676400000000, -0.0034144400000000, -0.0003442400000000 ] - [ 0.0011509000000000, -0.0011193900000000, 0.0010899200000000 ] - [ 0.0006613300000000, -0.0004456600000000, 0.0004742400000000 ] - [ 0.0476861300000000, 0.1079017800000000, 0.0768564900000000 ] - [ -0.0021242400000000, 0.0018677500000000, 0.0000710900000000 ] - [ -0.0003776700000000, 0.0006361600000000, -0.0000578300000000 ] - [ -0.0005931800000000, 0.0007247400000000, -0.0002593800000000 ] - [ 0.0006087400000000, 0.0000397700000000, -0.0002471500000000 ] - [ 0.0006477600000000, -0.0000460900000000, -0.0002911900000000 ] - [ 0.0006301200000000, 0.0035627500000000, 0.0002525700000000 ] - [ -0.0104718500000000, 0.0074043600000000, 0.0098674900000000 ] - [ 0.0001188100000000, -0.0024069300000000, 0.0015973300000000 ] - [ -0.0005049300000000, -0.0016023200000000, 0.0008409800000000 ] - [ 0.0005327300000000, -0.0014509000000000, -0.0004068100000000 ] - [ -0.0011371700000000, -0.0014291100000000, -0.0003265700000000 ] - [ 0.0043213900000000, -0.0012450800000000, -0.0024561100000000 ] - [ -0.0010721700000000, -0.0011492900000000, -0.0014355900000000 ] - [ 0.0011233000000000, 0.0004069900000000, 0.0001247900000000 ] - [ 0.0007586200000000, 0.0002485900000000, -0.0008628500000000 ] - [ -0.0065942500000000, -0.0054096100000000, 0.0024527200000000 ] - [ 0.0044891800000000, 0.0003155000000000, 0.0012239500000000 ] - [ -0.0010657000000000, -0.0001101600000000, -0.0002466500000000 ] - [ -0.0012164400000000, -0.0001380500000000, 0.0005682700000000 ] - [ -0.0000814400000000, 0.0006786100000000, -0.0002699600000000 ] - [ 0.0000837700000000, 0.0008174200000000, -0.0001361300000000 ] - [ 0.0004626900000000, 0.0029619100000000, -0.0005770500000000 ] - [ 0.0006570400000000, 0.0015126500000000, -0.0002427000000000 ] - [ 0.0001579300000000, 0.0008416800000000, -0.0008467400000000 ] - [ 0.0002188200000000, 0.0011350200000000, -0.0006925800000000 ] - [ -0.0007876800000000, 0.0016947800000000, 0.0000325900000000 ] - [ 0.0003645100000000, 0.0007326300000000, -0.0006384900000000 ] - [ -0.0003725800000000, -0.0006896900000000, -0.0002398000000000 ] - [ -0.0008805400000000, -0.0008489000000000, -0.0000982200000000 ] - [ -0.0016500700000000, -0.0004512500000000, 0.0019465500000000 ] - [ -0.0004057700000000, -0.0006388500000000, -0.0000803200000000 ] - [ -0.0022568500000000, -0.0002317100000000, 0.0008351400000000 ] - [ -0.0022703600000000, -0.0001454700000000, 0.0015929500000000 ] - [ -0.0022371900000000, 0.0002501200000000, -0.0020474700000000 ] - [ -0.0017838000000000, 0.0000799800000000, -0.0001804800000000 ] - [ 0.0020234100000000, -0.0004652600000000, -0.0003804000000000 ] - [ 0.0019529500000000, -0.0003135900000000, -0.0006215100000000 ] - [ 0.0051775000000000, 0.0033005700000000, 0.0059484800000000 ] - [ 0.0018539700000000, -0.0005804900000000, -0.0001448200000000 ] - [ 0.0016693900000000, 0.0140294300000000, 0.0055232600000000 ] - [ 0.0011619900000000, -0.0012559100000000, -0.0000174300000000 ] - [ 0.0000937400000000, -0.0002944100000000, -0.0002213200000000 ] - [ 0.0001994000000000, -0.0003353700000000, -0.0000517300000000 ] - [ -0.0590824000000000, -0.1339358900000000, -0.1034586500000000 ] - [ 0.0001321300000000, -0.0002240400000000, -0.0003192900000000 ] - [ -0.0001823700000000, 0.0000193600000000, -0.0000094400000000 ] - [ -0.0001461700000000, -0.0000275700000000, 0.0002302500000000 ] - [ 0.0003862000000000, -0.0003841900000000, 0.0001548200000000 ] - [ 0.0002282900000000, -0.0003772000000000, 0.0003220600000000 ] - [ -0.0015775400000000, 0.0012862800000000, -0.0010658700000000 ] - [ 0.0012332500000000, 0.0000381700000000, -0.0001057100000000 ] - [ -0.0000528500000000, 0.0006486900000000, -0.0004569200000000 ] - [ -0.0007410300000000, 0.0021357300000000, -0.0015058800000000 ] - [ -0.0000988300000000, 0.0007146400000000, -0.0003104600000000 ] - [ -0.0001475800000000, 0.0003991400000000, -0.0001579600000000 ] - [ 0.0005769700000000, 0.0004634500000000, 0.0004982600000000 ] - [ 0.0004463200000000, 0.0044463500000000, 0.0030757600000000 ] - [ -0.0001663700000000, -0.0001007700000000, 0.0002360500000000 ] - [ -0.0000102400000000, 0.0000427300000000, 0.0002176700000000 ] - [ 0.0000165900000000, 0.0004714200000000, 0.0007222400000000 ] - [ -0.0000943400000000, 0.0003531400000000, 0.0008488400000000 ] - [ -0.0007407600000000, -0.0025009500000000, 0.0001570000000000 ] - [ 0.0030008000000000, 0.0008085800000000, -0.0024011800000000 ] - [ 0.0005119500000000, -0.0001034900000000, 0.0004699400000000 ] - [ -0.0001368700000000, -0.0002475400000000, -0.0016175000000000 ] - [ 0.0013031400000000, -0.0009217200000000, 0.0010310100000000 ] - [ 0.0001349400000000, 0.0001211800000000, 0.0003284600000000 ] - [ -0.0024150900000000, -0.0011368700000000, 0.0013452700000000 ] - [ 0.0014413200000000, -0.0014128900000000, -0.0000523700000000 ] - [ -0.0002777700000000, -0.0008660700000000, -0.0004284400000000 ] - [ 0.0002255600000000, -0.0009900800000000, -0.0002213700000000 ] - [ 0.0103164100000000, 0.0022148400000000, -0.0006842700000000 ] - [ 0.0007769400000000, -0.0021022200000000, -0.0008330500000000 ] - [ -0.0000902000000000, -0.0007760100000000, -0.0005190100000000 ] - [ 0.0001215100000000, -0.0006965800000000, -0.0005416400000000 ] - [ 0.0001568400000000, 0.0006962600000000, -0.0005436600000000 ] - [ 0.0002071800000000, 0.0004426200000000, -0.0002475200000000 ] - [ -0.0002545600000000, 0.0004511900000000, -0.0000759900000000 ] - [ 0.0010445100000000, 0.0010470900000000, 0.0003619000000000 ] - [ -0.0006773700000000, 0.0006857000000000, -0.0004465200000000 ] - [ -0.0001692300000000, 0.0003350800000000, -0.0002014900000000 ] - [ -0.0004485600000000, 0.0006865800000000, -0.0004922200000000 ] - [ -0.0003310700000000, 0.0003363400000000, -0.0001904200000000 ] - [ 0.0007892400000000, 0.0016685500000000, -0.0007292200000000 ] - [ -0.0014786600000000, 0.0009877100000000, -0.0004313100000000 ] - [ -0.0007667600000000, 0.0006507000000000, 0.0001451800000000 ] - [ -0.0005037600000000, 0.0005754400000000, 0.0000089200000000 ] - [ 0.0000088600000000, -0.0003164300000000, 0.0001405900000000 ] - [ 0.0000301800000000, -0.0003551100000000, 0.0000685800000000 ] - [ 0.0002649100000000, -0.0009954100000000, -0.0004814700000000 ] - [ -0.0036689000000000, -0.0043621400000000, -0.0008981100000000 ] - [ 0.0000028000000000, 0.0000482400000000, 0.0004617500000000 ] - [ -0.0001081000000000, 0.0001225600000000, 0.0004297800000000 ] - [ 0.0002473300000000, -0.0008268700000000, 0.0005580300000000 ] - [ 0.0048557300000000, 0.0023527000000000, -0.0032131400000000 ] - [ -0.0047054400000000, 0.0007512600000000, 0.0007505000000000 ] - [ -0.0012368800000000, 0.0010521200000000, 0.0005981300000000 ] - [ -0.0021566400000000, 0.0002402700000000, 0.0003095500000000 ] - [ -0.0021470000000000, 0.0002799300000000, 0.0006623000000000 ] - [ 0.0026829900000000, 0.0012081800000000, -0.0023462400000000 ] - [ 0.0011196600000000, 0.0008695700000000, -0.0014120900000000 ] - [ 0.0015413500000000, 0.0006132000000000, 0.0008909000000000 ] - [ 0.0021146900000000, 0.0003338000000000, -0.0001484000000000 ] - [ -0.0005071300000000, -0.0000258700000000, -0.0001129400000000 ] - [ 0.0059599700000000, 0.0022838300000000, 0.0031420100000000 ] - [ 0.0002359000000000, 0.0001000400000000, -0.0000031400000000 ] - [ 0.0006020800000000, 0.0004745200000000, 0.0000535500000000 ] - [ -0.0002430400000000, 0.0000915200000000, 0.0006552000000000 ] - [ 0.0001945800000000, 0.0003194300000000, 0.0008365500000000 ] - [ 0.0000213700000000, -0.0002511500000000, 0.0004955200000000 ] - [ 0.0001206600000000, -0.0004510300000000, 0.0005770200000000 ] - [ 0.0016969500000000, 0.0020685500000000, 0.0003695500000000 ] - [ -0.0017717200000000, 0.0013659400000000, 0.0004838600000000 ] - [ 0.0003552400000000, -0.0001298300000000, 0.0005425800000000 ] - [ 0.0001896100000000, -0.0003131600000000, 0.0004166500000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005468800000000, 0.0070734600000000, -0.0012098100000000 ] - [ 0.0005330600000000, 0.0002776200000000, 0.0000158900000000 ] - [ -0.0000705800000000, 0.0001306300000000, 0.0002880100000000 ] - [ 0.0001464000000000, 0.0002896800000000, 0.0004133900000000 ] - [ 0.0003178300000000, -0.0003030600000000, -0.0003504200000000 ] - [ 0.0004299200000000, -0.0064603900000000, -0.0055926300000000 ] - [ -0.0000934400000000, -0.0008871200000000, 0.0001058500000000 ] - [ -0.0000470000000000, -0.0001444700000000, -0.0005383000000000 ] - [ 0.0002063500000000, -0.0011117800000000, -0.0004489200000000 ] - [ 0.0000349400000000, -0.0007448900000000, 0.0005437900000000 ] - [ -0.0011816900000000, -0.0006768300000000, 0.0001618700000000 ] - [ 0.0009684600000000, -0.0003709200000000, 0.0003450800000000 ] - [ 0.0000604400000000, 0.0002051200000000, -0.0000649100000000 ] - [ -0.0001732800000000, 0.0001667400000000, -0.0001236200000000 ] - [ -0.0008582700000000, 0.0008796600000000, 0.0000111800000000 ] - [ 0.0004865700000000, 0.0029309200000000, -0.0005419800000000 ] - [ 0.0011383800000000, 0.0001656500000000, -0.0003131800000000 ] - [ 0.0010654400000000, 0.0000432300000000, 0.0004278800000000 ] - [ -0.0020482400000000, 0.0039237300000000, -0.0059524200000000 ] - [ 0.0035319200000000, 0.0018806900000000, -0.0010814900000000 ] - [ -0.0003171600000000, -0.0004986500000000, 0.0001758400000000 ] - [ -0.0022019300000000, 0.0007317300000000, -0.0008899600000000 ] - [ -0.0018494700000000, -0.0002505800000000, 0.0065967300000000 ] - [ -0.0010817500000000, -0.0002953100000000, 0.0009049100000000 ] - [ 0.0006884000000000, 0.0014160900000000, 0.0001171500000000 ] - [ 0.0012123300000000, 0.0040678400000000, 0.0003845700000000 ] - [ 0.0000052000000000, 0.0017648500000000, -0.0010366100000000 ] - [ 0.0004894300000000, 0.0010975700000000, -0.0004305300000000 ] - [ -0.0516383400000000, -0.1107440800000000, -0.0809377000000000 ] - [ 0.0009757600000000, -0.0012157100000000, -0.0001109200000000 ] - [ -0.0007748600000000, 0.0000153000000000, 0.0000146100000000 ] - [ -0.0005567200000000, -0.0000700000000000, 0.0002200700000000 ] - [ 0.0005443000000000, -0.0006892200000000, 0.0002896500000000 ] - [ 0.0005041300000000, -0.0006034200000000, 0.0003353600000000 ] - [ 0.0005233300000000, -0.0042221600000000, -0.0002021600000000 ] - [ 0.0116236800000000, -0.0079676900000000, -0.0097755800000000 ] - [ -0.0012690900000000, 0.0017529300000000, -0.0016459600000000 ] - [ -0.0006477400000000, 0.0009496500000000, -0.0008883400000000 ] - [ -0.0016824200000000, 0.0007929700000000, 0.0003678800000000 ] - [ -0.0000150500000000, 0.0007707100000000, 0.0002855500000000 ] - [ -0.0020441400000000, 0.0012196900000000, 0.0009725100000000 ] - [ 0.0033624800000000, 0.0011157300000000, -0.0000118100000000 ] - [ 0.0011547600000000, -0.0004431700000000, -0.0015855500000000 ] - [ 0.0015258300000000, -0.0002917100000000, -0.0006021500000000 ] - [ 0.0043227000000000, 0.0053859200000000, -0.0009684600000000 ] - [ -0.0068091200000000, -0.0003711400000000, 0.0002294000000000 ] - [ -0.0012165900000000, 0.0000643200000000, 0.0017081100000000 ] - [ -0.0010694800000000, 0.0000908900000000, 0.0008998700000000 ] - [ -0.0002086200000000, 0.0002704400000000, -0.0004374500000000 ] - [ -0.0003739700000000, 0.0001314600000000, -0.0005710300000000 ] - [ -0.0007412000000000, -0.0020107600000000, -0.0001325000000000 ] - [ -0.0009486800000000, -0.0005657900000000, -0.0004645500000000 ] - [ -0.0001149500000000, 0.0003336200000000, -0.0004028000000000 ] - [ -0.0001776600000000, 0.0000447100000000, -0.0005567600000000 ] - [ 0.0008279500000000, -0.0005154300000000, -0.0012854200000000 ] - [ -0.0003212900000000, 0.0004431500000000, -0.0006133000000000 ] - [ -0.0005862800000000, -0.0002948900000000, 0.0001306100000000 ] - [ -0.0000848000000000, -0.0001357600000000, -0.0000135200000000 ] - [ 0.0006967100000000, -0.0005237300000000, -0.0020459000000000 ] - [ -0.0005543200000000, -0.0003461300000000, -0.0000305400000000 ] - [ -0.0019032100000000, -0.0004404900000000, -0.0001108400000000 ] - [ -0.0018883800000000, -0.0005280800000000, -0.0008679500000000 ] - [ -0.0019146000000000, -0.0009230200000000, 0.0027447100000000 ] - [ -0.0023760700000000, -0.0007526400000000, 0.0009010900000000 ] - [ 0.0021366600000000, -0.0002059100000000, -0.0003407200000000 ] - [ 0.0022059700000000, -0.0003546700000000, -0.0001086400000000 ] - [ -0.0010303100000000, -0.0039874500000000, -0.0067033100000000 ] - [ 0.0023059400000000, -0.0000899300000000, -0.0005826100000000 ] - [ -0.0015220000000000, -0.0148440100000000, -0.0062731800000000 ] - [ -0.0009515000000000, 0.0008461900000000, -0.0005156000000000 ] - [ 0.0001167300000000, -0.0001159000000000, -0.0003111500000000 ] - [ 0.0000108800000000, -0.0000753100000000, -0.0004807700000000 ] - [ 0.0618398200000000, 0.1380186000000000, 0.1076607900000000 ] - [ -0.0002965400000000, 0.0005216600000000, 0.0003604600000000 ] - [ 0.0000190800000000, 0.0002778300000000, 0.0000512600000000 ] - [ -0.0000181500000000, 0.0003235600000000, -0.0001897200000000 ] - [ 0.0005742600000000, -0.0006014700000000, -0.0000444500000000 ] - [ 0.0007317600000000, -0.0006092500000000, -0.0002103500000000 ] - [ 0.0025089900000000, -0.0022489300000000, 0.0011626300000000 ] - [ -0.0002704200000000, -0.0010261100000000, 0.0002166000000000 ] - [ 0.0002173400000000, -0.0003533100000000, 0.0004171900000000 ] - [ 0.0009043300000000, -0.0018401000000000, 0.0014708500000000 ] - [ 0.0002616700000000, -0.0004143800000000, 0.0002656400000000 ] - [ 0.0003117600000000, -0.0001028500000000, 0.0001169000000000 ] - [ -0.0007875300000000, -0.0008760400000000, 0.0000341400000000 ] - [ -0.0006589100000000, -0.0048429400000000, -0.0025242200000000 ] - [ -0.0000456800000000, -0.0003124400000000, 0.0002950400000000 ] - [ -0.0002003900000000, -0.0004559100000000, 0.0003144800000000 ] - [ -0.0000600300000000, 0.0007029700000000, 0.0005289400000000 ] - [ 0.0000510300000000, 0.0008201000000000, 0.0004010000000000 ] - [ 0.0006976200000000, 0.0036657100000000, 0.0010942400000000 ] - [ -0.0030364800000000, 0.0003663200000000, 0.0036456600000000 ] - [ -0.0002219800000000, 0.0010533100000000, 0.0002376700000000 ] - [ 0.0004227200000000, 0.0012299600000000, 0.0023029700000000 ] - [ -0.0010083500000000, 0.0018674200000000, -0.0003234600000000 ] - [ 0.0001517000000000, 0.0008311100000000, 0.0003807500000000 ] - [ 0.0021476700000000, 0.0001627200000000, -0.0020668700000000 ] - [ -0.0017269100000000, 0.0004613600000000, -0.0006559700000000 ] - [ -0.0000109600000000, -0.0000883600000000, -0.0002764700000000 ] - [ -0.0005142600000000, 0.0000391100000000, -0.0004860400000000 ] - [ -0.0103963700000000, -0.0034114400000000, -0.0005850400000000 ] - [ -0.0007322500000000, 0.0009317000000000, -0.0004171200000000 ] - [ 0.0001334800000000, -0.0003985800000000, -0.0007312000000000 ] - [ -0.0000777400000000, -0.0004778900000000, -0.0007096000000000 ] - [ 0.0000572300000000, -0.0002785200000000, 0.0000131800000000 ] - [ 0.0000037600000000, -0.0000287800000000, -0.0002841100000000 ] - [ 0.0004656200000000, -0.0000340400000000, -0.0004568600000000 ] - [ -0.0008293000000000, -0.0006301100000000, -0.0008927300000000 ] - [ 0.0005115100000000, -0.0009809700000000, 0.0004895600000000 ] - [ 0.0000053000000000, -0.0006309700000000, 0.0002438900000000 ] - [ 0.0002845700000000, -0.0009800600000000, 0.0005289100000000 ] - [ 0.0001647000000000, -0.0006296700000000, 0.0002274700000000 ] - [ -0.0017597800000000, -0.0006796200000000, 0.0006167800000000 ] - [ 0.0005256400000000, -0.0000047800000000, 0.0003244500000000 ] - [ -0.0001944300000000, 0.0003362300000000, -0.0002551400000000 ] - [ -0.0004557600000000, 0.0004111000000000, -0.0001200400000000 ] - [ 0.0001539000000000, 0.0000186000000000, -0.0001825300000000 ] - [ 0.0001344900000000, 0.0000578600000000, -0.0001118500000000 ] - [ -0.0001032000000000, 0.0006977100000000, 0.0004371900000000 ] - [ 0.0037884100000000, 0.0040734800000000, 0.0008752000000000 ] - [ -0.0002127300000000, 0.0003619700000000, 0.0000710100000000 ] - [ -0.0001017200000000, 0.0002873600000000, 0.0001026200000000 ] - [ -0.0004608800000000, 0.0012392200000000, -0.0000291000000000 ] - [ -0.0050054700000000, -0.0019127000000000, 0.0036903100000000 ] - [ 0.0005352500000000, -0.0000808000000000, -0.0000162500000000 ] - [ -0.0029350800000000, -0.0003959900000000, 0.0001114400000000 ] - [ -0.0020035600000000, 0.0004304300000000, 0.0004124600000000 ] - [ -0.0020134600000000, 0.0003915600000000, 0.0000604500000000 ] - [ 0.0014719300000000, -0.0005394800000000, 0.0016288800000000 ] - [ 0.0030384500000000, -0.0001936400000000, 0.0006966100000000 ] - [ 0.0026163000000000, 0.0000612900000000, -0.0016091900000000 ] - [ 0.0020455700000000, 0.0003392900000000, -0.0005760700000000 ] - [ 0.0014691700000000, 0.0010115600000000, 0.0002261100000000 ] - [ -0.0049959000000000, -0.0013164800000000, -0.0030206000000000 ] - [ 0.0007241600000000, 0.0008831200000000, 0.0001117800000000 ] - [ 0.0003576100000000, 0.0005109100000000, 0.0000562800000000 ] - [ 0.0002019300000000, -0.0012681100000000, 0.0005960900000000 ] - [ -0.0002324700000000, -0.0014968000000000, 0.0004142500000000 ] - [ -0.0000633900000000, -0.0009229400000000, 0.0007535200000000 ] - [ -0.0001634600000000, -0.0007233600000000, 0.0006732500000000 ] - [ -0.0014137600000000, -0.0030223700000000, 0.0003376700000000 ] - [ 0.0020859600000000, -0.0023235300000000, 0.0002220500000000 ] - [ -0.0000641600000000, -0.0008175100000000, 0.0001655000000000 ] - [ 0.0001012600000000, -0.0006345800000000, 0.0002912800000000 ]- atom: 73 displacement: [ -0.0045611250918810, 0.0000000000000000, 0.0088992211960493 ] forces: - [ -0.0003269700000000, -0.0020980300000000, 0.0016615400000000 ] - [ 0.0004832700000000, -0.0001253500000000, 0.0008494100000000 ] - [ 0.0002661100000000, -0.0000117000000000, -0.0003432600000000 ] - [ -0.0002153400000000, 0.0000226900000000, -0.0005079800000000 ] - [ 0.0004392300000000, 0.0003195000000000, 0.0002987000000000 ] - [ -0.0046793600000000, 0.0052353400000000, 0.0275115200000000 ] - [ -0.0002857400000000, 0.0006506500000000, -0.0010406300000000 ] - [ 0.0002484300000000, 0.0000853300000000, -0.0011087000000000 ] - [ 0.0019000300000000, 0.0014346600000000, -0.0012286700000000 ] - [ -0.0005945000000000, 0.0000563100000000, 0.0001580800000000 ] - [ 0.0007352700000000, -0.0006145800000000, -0.0025420900000000 ] - [ -0.0007591500000000, 0.0002887300000000, 0.0002597400000000 ] - [ -0.0001634100000000, -0.0001190100000000, -0.0007386300000000 ] - [ 0.0000422400000000, -0.0001498500000000, -0.0008115700000000 ] - [ 0.0001254100000000, 0.0000043900000000, 0.0004880700000000 ] - [ -0.0001422200000000, 0.0011068000000000, 0.0003018500000000 ] - [ 0.0015876100000000, -0.0000151300000000, -0.0019303600000000 ] - [ 0.0009341100000000, -0.0002073600000000, -0.0020385500000000 ] - [ -0.0005839000000000, -0.0007007700000000, 0.0027469300000000 ] - [ 0.0029573200000000, 0.0017601200000000, 0.0000806600000000 ] - [ -0.0007373400000000, 0.0000886700000000, 0.0005579700000000 ] - [ -0.0060514400000000, 0.0062353200000000, -0.0008910900000000 ] - [ -0.0007571600000000, 0.0000466800000000, -0.0058774300000000 ] - [ -0.0001510600000000, -0.0005780300000000, 0.0002338100000000 ] - [ 0.0013879900000000, 0.0000746900000000, -0.0003868800000000 ] - [ -0.0011631000000000, -0.0021068600000000, -0.0002246800000000 ] - [ 0.0002829900000000, -0.0002853600000000, -0.0001172500000000 ] - [ 0.0009480500000000, 0.0003361100000000, -0.0004332900000000 ] - [ 0.0209367300000000, 0.0600852300000000, 0.0888277900000000 ] - [ 0.0013516700000000, 0.0000879500000000, 0.0007135800000000 ] - [ -0.0001071500000000, 0.0003873400000000, -0.0008782400000000 ] - [ -0.0015174200000000, -0.0001500400000000, -0.0018289600000000 ] - [ 0.0002302100000000, -0.0005682000000000, -0.0009874800000000 ] - [ 0.0005729200000000, -0.0007224000000000, -0.0014940500000000 ] - [ 0.0015972100000000, 0.0005606000000000, 0.0034173500000000 ] - [ 0.0049019000000000, 0.0064134300000000, 0.0085734800000000 ] - [ 0.0003581400000000, -0.0006513600000000, 0.0006306700000000 ] - [ -0.0012969100000000, -0.0009875000000000, 0.0012413600000000 ] - [ -0.0000830000000000, -0.0008535900000000, -0.0009308900000000 ] - [ -0.0010996700000000, -0.0008308500000000, -0.0007262500000000 ] - [ 0.0069165200000000, -0.0049139500000000, -0.0000826200000000 ] - [ -0.0021386500000000, -0.0012452000000000, 0.0022402700000000 ] - [ 0.0007341300000000, 0.0009579700000000, -0.0019660900000000 ] - [ 0.0012363900000000, -0.0000004800000000, -0.0016815600000000 ] - [ -0.0017609400000000, 0.0021620600000000, 0.0030983800000000 ] - [ 0.0001535000000000, -0.0009846600000000, 0.0027211300000000 ] - [ -0.0010971300000000, -0.0000238600000000, -0.0010052200000000 ] - [ -0.0006093100000000, 0.0002081000000000, -0.0008584200000000 ] - [ -0.0001319900000000, 0.0007013200000000, -0.0000449200000000 ] - [ 0.0001728100000000, 0.0008462700000000, 0.0000135800000000 ] - [ 0.0002079700000000, 0.0003798200000000, -0.0008068600000000 ] - [ -0.0008380500000000, -0.0003570400000000, -0.0006300900000000 ] - [ -0.0004121800000000, 0.0007363300000000, -0.0005196300000000 ] - [ 0.0013120400000000, 0.0000853600000000, -0.0009276500000000 ] - [ -0.0005970500000000, 0.0014277400000000, -0.0001457000000000 ] - [ 0.0000599800000000, 0.0007340100000000, -0.0005484100000000 ] - [ -0.0010877800000000, -0.0008469400000000, 0.0000990500000000 ] - [ 0.0009102600000000, -0.0005565600000000, 0.0003308300000000 ] - [ -0.0012525100000000, -0.0000874100000000, 0.0026010500000000 ] - [ -0.0007344100000000, -0.0005639900000000, -0.0000170400000000 ] - [ -0.0023786900000000, -0.0002843400000000, 0.0012886200000000 ] - [ -0.0018468700000000, -0.0003427600000000, 0.0012050000000000 ] - [ -0.0017910300000000, -0.0003572900000000, -0.0003236600000000 ] - [ -0.0024390700000000, -0.0005167900000000, 0.0004588500000000 ] - [ 0.0018796700000000, -0.0003553300000000, 0.0003199200000000 ] - [ 0.0023660100000000, -0.0009372100000000, 0.0021165100000000 ] - [ 0.0075717400000000, 0.0062644800000000, 0.0064129800000000 ] - [ 0.0017252100000000, -0.0001706900000000, -0.0004327600000000 ] - [ -0.0015721900000000, 0.0023174000000000, -0.0075943300000000 ] - [ -0.0004413800000000, 0.0003137800000000, -0.0006174600000000 ] - [ -0.0000048500000000, -0.0002863600000000, -0.0000242500000000 ] - [ 0.0004352600000000, -0.0004442000000000, 0.0002481200000000 ] - [ -0.0073778000000000, -0.0661757200000000, -0.1290586000000000 ] - [ -0.0005918400000000, -0.0002496800000000, -0.0007791800000000 ] - [ -0.0002944900000000, 0.0001701900000000, 0.0005274300000000 ] - [ 0.0001409100000000, 0.0003680700000000, 0.0008886400000000 ] - [ 0.0002525400000000, -0.0003975600000000, 0.0003581200000000 ] - [ 0.0004736800000000, -0.0004946200000000, 0.0004120100000000 ] - [ 0.0007690600000000, -0.0004789000000000, -0.0003810700000000 ] - [ -0.0001509000000000, -0.0007248800000000, -0.0001006800000000 ] - [ -0.0002459300000000, 0.0004807900000000, -0.0004587200000000 ] - [ -0.0001921200000000, 0.0011075900000000, -0.0010791400000000 ] - [ 0.0001902100000000, 0.0003261800000000, 0.0002952900000000 ] - [ -0.0001206000000000, 0.0001684600000000, 0.0003250000000000 ] - [ -0.0001328100000000, -0.0001644300000000, 0.0000907000000000 ] - [ 0.0008920500000000, 0.0042508000000000, 0.0020755200000000 ] - [ 0.0000581800000000, -0.0000131400000000, 0.0004663500000000 ] - [ -0.0001966900000000, -0.0002630400000000, 0.0004960300000000 ] - [ -0.0000484300000000, 0.0005238800000000, 0.0008787400000000 ] - [ -0.0000047400000000, 0.0006766800000000, 0.0012804300000000 ] - [ 0.0011738400000000, -0.0004007500000000, -0.0006999100000000 ] - [ -0.0030393300000000, -0.0008855100000000, 0.0018321600000000 ] - [ 0.0001063300000000, 0.0003794400000000, 0.0003221400000000 ] - [ 0.0019784700000000, -0.0067573500000000, 0.0073862900000000 ] - [ 0.0015258800000000, -0.0008386600000000, 0.0010772800000000 ] - [ -0.0005489100000000, 0.0008330800000000, 0.0009592400000000 ] - [ -0.0068458300000000, 0.0028365400000000, 0.0039797900000000 ] - [ 0.0007820900000000, -0.0007056400000000, -0.0005551700000000 ] - [ 0.0000196100000000, -0.0013510000000000, 0.0005065000000000 ] - [ 0.0002336700000000, -0.0008811200000000, -0.0001346600000000 ] - [ -0.0071892000000000, -0.0114175700000000, -0.0143397600000000 ] - [ -0.0011147400000000, -0.0000687300000000, -0.0008708300000000 ] - [ -0.0002460400000000, -0.0007628900000000, -0.0002142600000000 ] - [ 0.0001190300000000, -0.0006428500000000, -0.0002012900000000 ] - [ -0.0004503200000000, -0.0005123200000000, -0.0003796600000000 ] - [ 0.0003719400000000, 0.0003805300000000, -0.0002846800000000 ] - [ -0.0001457200000000, 0.0007490200000000, 0.0000706400000000 ] - [ 0.0010534200000000, 0.0008939200000000, 0.0002049700000000 ] - [ -0.0003402900000000, 0.0001386300000000, 0.0001129400000000 ] - [ 0.0000790300000000, -0.0000769900000000, 0.0000244100000000 ] - [ -0.0003520400000000, -0.0000034000000000, 0.0001081300000000 ] - [ -0.0000795500000000, 0.0000075700000000, -0.0000554400000000 ] - [ 0.0005685300000000, 0.0004732000000000, -0.0008176300000000 ] - [ -0.0006888700000000, 0.0007651800000000, -0.0006308300000000 ] - [ -0.0007657600000000, 0.0005811600000000, 0.0004014600000000 ] - [ -0.0005734600000000, 0.0004263900000000, 0.0004436100000000 ] - [ 0.0003126400000000, 0.0000255500000000, 0.0005061900000000 ] - [ -0.0001680700000000, -0.0000472800000000, 0.0010532600000000 ] - [ -0.0000992100000000, -0.0006448300000000, -0.0009514600000000 ] - [ -0.0063292100000000, 0.0007192400000000, 0.0054991500000000 ] - [ 0.0000409400000000, 0.0001083000000000, 0.0005125800000000 ] - [ -0.0001996800000000, 0.0003172900000000, 0.0006485600000000 ] - [ -0.0001589500000000, 0.0001630600000000, -0.0001890100000000 ] - [ -0.0014244600000000, -0.0035725900000000, 0.0007686200000000 ] - [ -0.0039110500000000, 0.0012760700000000, -0.0019824200000000 ] - [ -0.0027991300000000, -0.0014063300000000, -0.0039144200000000 ] - [ -0.0021447700000000, 0.0003683200000000, 0.0014600400000000 ] - [ -0.0021083300000000, 0.0004953700000000, 0.0014129400000000 ] - [ 0.0019675800000000, 0.0005624900000000, -0.0013355200000000 ] - [ 0.0019476900000000, 0.0005495700000000, -0.0023394900000000 ] - [ 0.0016662500000000, 0.0004343900000000, 0.0014651200000000 ] - [ 0.0020422400000000, 0.0001813700000000, 0.0007362200000000 ] - [ -0.0012743400000000, 0.0001566900000000, -0.0004821100000000 ] - [ 0.0071988700000000, 0.0035731100000000, 0.0011510400000000 ] - [ 0.0004369700000000, 0.0002224500000000, 0.0004489000000000 ] - [ 0.0003236400000000, 0.0004675700000000, 0.0004073300000000 ] - [ -0.0011811700000000, 0.0002618600000000, 0.0008471900000000 ] - [ 0.0008400600000000, -0.0003645400000000, 0.0002193700000000 ] - [ 0.0002332500000000, -0.0004799100000000, 0.0007180600000000 ] - [ -0.0001677500000000, -0.0004621700000000, 0.0008715700000000 ] - [ -0.0005639800000000, -0.0017443600000000, 0.0001795000000000 ] - [ -0.0002800100000000, -0.0003286600000000, -0.0000144500000000 ] - [ 0.0004683200000000, -0.0001044200000000, 0.0007469000000000 ] - [ 0.0001601400000000, -0.0003623000000000, 0.0006608800000000 ]- atom: 73 displacement: [ 0.0045611250918810, 0.0000000000000000, -0.0088992211960493 ] forces: - [ 0.0004178800000000, 0.0020813600000000, -0.0011914000000000 ] - [ -0.0003954400000000, 0.0001531400000000, -0.0003916800000000 ] - [ -0.0001704700000000, 0.0000415000000000, 0.0007935400000000 ] - [ 0.0003070200000000, 0.0000073800000000, 0.0009557700000000 ] - [ -0.0005343200000000, -0.0002859700000000, -0.0007479200000000 ] - [ 0.0047188700000000, -0.0045149200000000, -0.0260775300000000 ] - [ 0.0001921200000000, -0.0006145000000000, 0.0005802400000000 ] - [ -0.0003422600000000, -0.0000569900000000, 0.0006583200000000 ] - [ -0.0017941200000000, -0.0014515800000000, 0.0016720200000000 ] - [ 0.0006843400000000, -0.0000821800000000, 0.0002920900000000 ] - [ -0.0006152700000000, 0.0005981900000000, 0.0030191400000000 ] - [ 0.0008433900000000, -0.0003171900000000, 0.0001882600000000 ] - [ 0.0000694500000000, 0.0000871300000000, 0.0002819600000000 ] - [ -0.0001347500000000, 0.0001178700000000, 0.0003565300000000 ] - [ -0.0002209500000000, -0.0000398100000000, -0.0009428800000000 ] - [ 0.0000531400000000, -0.0011523700000000, -0.0007532700000000 ] - [ 0.0007013400000000, 0.0000608400000000, 0.0004654600000000 ] - [ 0.0013529300000000, 0.0002529600000000, 0.0005684100000000 ] - [ 0.0028819500000000, 0.0007596400000000, -0.0041993700000000 ] - [ -0.0006879300000000, -0.0017278500000000, -0.0015328800000000 ] - [ -0.0015537700000000, -0.0000367300000000, 0.0009064000000000 ] - [ 0.0037370500000000, -0.0061513500000000, 0.0023518800000000 ] - [ -0.0015421300000000, -0.0000102500000000, 0.0072960500000000 ] - [ -0.0021422300000000, 0.0006331200000000, 0.0012230100000000 ] - [ -0.0002360100000000, 0.0005694100000000, 0.0004326500000000 ] - [ 0.0023138000000000, 0.0027371100000000, 0.0002739900000000 ] - [ 0.0008687900000000, 0.0009339900000000, 0.0001596700000000 ] - [ 0.0002040500000000, 0.0003125500000000, 0.0004809200000000 ] - [ -0.0228864600000000, -0.0602328800000000, -0.0889589000000000 ] - [ -0.0025157600000000, 0.0005736100000000, -0.0007641000000000 ] - [ -0.0010393000000000, 0.0002679600000000, 0.0008287100000000 ] - [ 0.0003610800000000, 0.0008008100000000, 0.0017700200000000 ] - [ 0.0009194800000000, -0.0000843400000000, 0.0010286000000000 ] - [ 0.0005782600000000, 0.0000681900000000, 0.0015320100000000 ] - [ -0.0004694800000000, -0.0011907000000000, -0.0033488800000000 ] - [ -0.0036150500000000, -0.0070782500000000, -0.0086357000000000 ] - [ -0.0015001300000000, -0.0000131000000000, -0.0006607100000000 ] - [ 0.0001429500000000, 0.0003259000000000, -0.0012777800000000 ] - [ -0.0010540300000000, 0.0001970400000000, 0.0008765200000000 ] - [ -0.0000612400000000, 0.0001738300000000, 0.0006726400000000 ] - [ -0.0045838200000000, 0.0048263000000000, -0.0013518800000000 ] - [ 0.0044162400000000, 0.0011955700000000, -0.0036916800000000 ] - [ 0.0015629000000000, -0.0010086100000000, 0.0005044400000000 ] - [ 0.0010457900000000, -0.0000440300000000, 0.0002167300000000 ] - [ -0.0005676700000000, -0.0022423500000000, -0.0016204200000000 ] - [ -0.0023977500000000, 0.0009460600000000, -0.0012605300000000 ] - [ -0.0011886800000000, -0.0000232200000000, 0.0024513900000000 ] - [ -0.0016745500000000, -0.0002536700000000, 0.0023083800000000 ] - [ -0.0001528300000000, 0.0002508800000000, -0.0006609900000000 ] - [ -0.0004557000000000, 0.0001072700000000, -0.0007177000000000 ] - [ -0.0004993800000000, 0.0005728100000000, 0.0000996300000000 ] - [ 0.0005601500000000, 0.0013152600000000, -0.0000764900000000 ] - [ 0.0004458700000000, 0.0004397400000000, -0.0007321200000000 ] - [ -0.0012697300000000, 0.0010876300000000, -0.0003244100000000 ] - [ 0.0006223000000000, -0.0002441500000000, -0.0010967700000000 ] - [ -0.0000200200000000, 0.0004400800000000, -0.0007021900000000 ] - [ 0.0001357300000000, -0.0001418100000000, -0.0002086400000000 ] - [ -0.0018504900000000, -0.0004307000000000, -0.0004381400000000 ] - [ 0.0003026000000000, -0.0008836400000000, -0.0026770800000000 ] - [ -0.0002119800000000, -0.0004217200000000, -0.0000906700000000 ] - [ -0.0017788500000000, -0.0003912500000000, -0.0005717800000000 ] - [ -0.0023110400000000, -0.0003313800000000, -0.0004830200000000 ] - [ -0.0023692300000000, -0.0003190500000000, 0.0010398400000000 ] - [ -0.0017155800000000, -0.0001577000000000, 0.0002501000000000 ] - [ 0.0022759300000000, -0.0003223600000000, -0.0010327500000000 ] - [ 0.0017927800000000, 0.0002540400000000, -0.0028108800000000 ] - [ -0.0034111100000000, -0.0069453600000000, -0.0071285500000000 ] - [ 0.0024338400000000, -0.0005082400000000, -0.0002780400000000 ] - [ 0.0018063600000000, -0.0026424200000000, 0.0070795600000000 ] - [ 0.0006609600000000, -0.0007366100000000, 0.0000868000000000 ] - [ 0.0002159500000000, -0.0001310500000000, -0.0005070600000000 ] - [ -0.0002210200000000, 0.0000254600000000, -0.0007765500000000 ] - [ 0.0074922300000000, 0.0665302400000000, 0.1273826200000000 ] - [ 0.0004304700000000, 0.0005513400000000, 0.0008201600000000 ] - [ 0.0001283000000000, 0.0001327200000000, -0.0004812100000000 ] - [ -0.0003046600000000, -0.0000635900000000, -0.0008378300000000 ] - [ 0.0006967700000000, -0.0005871900000000, -0.0002491300000000 ] - [ 0.0004746200000000, -0.0004902100000000, -0.0003016500000000 ] - [ 0.0001812900000000, -0.0005071200000000, 0.0004891300000000 ] - [ 0.0011037400000000, -0.0002581400000000, 0.0002074400000000 ] - [ 0.0004100100000000, -0.0001732300000000, 0.0004081700000000 ] - [ 0.0003514500000000, -0.0007904800000000, 0.0010181800000000 ] - [ -0.0000239300000000, -0.0000215500000000, -0.0003383600000000 ] - [ 0.0002842400000000, 0.0001347500000000, -0.0003691700000000 ] - [ -0.0000731400000000, -0.0002485100000000, 0.0004422300000000 ] - [ -0.0011012700000000, -0.0046386300000000, -0.0015332600000000 ] - [ -0.0002689600000000, -0.0004039900000000, 0.0000672800000000 ] - [ -0.0000147700000000, -0.0001534200000000, 0.0000360800000000 ] - [ 0.0000149900000000, 0.0006508100000000, 0.0003718300000000 ] - [ -0.0000289000000000, 0.0004984800000000, -0.0000271200000000 ] - [ -0.0011841200000000, 0.0015675400000000, 0.0019450100000000 ] - [ 0.0030289400000000, 0.0020670700000000, -0.0005971300000000 ] - [ 0.0001815700000000, 0.0005673900000000, 0.0003841500000000 ] - [ -0.0016741900000000, 0.0076432200000000, -0.0066105500000000 ] - [ -0.0012305000000000, 0.0017786100000000, -0.0003643400000000 ] - [ 0.0008415000000000, 0.0001123100000000, -0.0002588200000000 ] - [ 0.0064830300000000, -0.0037493100000000, -0.0046262600000000 ] - [ -0.0010522100000000, -0.0002522000000000, -0.0001513000000000 ] - [ -0.0003080200000000, 0.0004037100000000, -0.0012172800000000 ] - [ -0.0005133200000000, -0.0000745900000000, -0.0005690700000000 ] - [ 0.0071784800000000, 0.0102712200000000, 0.0131795400000000 ] - [ 0.0011505600000000, -0.0011128600000000, -0.0003792400000000 ] - [ 0.0002783700000000, -0.0004139500000000, -0.0010334900000000 ] - [ -0.0000836500000000, -0.0005326600000000, -0.0010457600000000 ] - [ 0.0006591400000000, 0.0009270000000000, -0.0001561100000000 ] - [ -0.0001575100000000, 0.0000394300000000, -0.0002479100000000 ] - [ 0.0003523000000000, -0.0003345700000000, -0.0006038700000000 ] - [ -0.0008324500000000, -0.0004689400000000, -0.0007319500000000 ] - [ 0.0001713900000000, -0.0004363300000000, -0.0000718900000000 ] - [ -0.0002428400000000, -0.0002232600000000, 0.0000194400000000 ] - [ 0.0001834800000000, -0.0002952100000000, -0.0000640600000000 ] - [ -0.0000833400000000, -0.0003097700000000, 0.0001028200000000 ] - [ -0.0015069000000000, 0.0005193700000000, 0.0007002700000000 ] - [ -0.0002669100000000, 0.0002231000000000, 0.0005191600000000 ] - [ -0.0001863900000000, 0.0004058100000000, -0.0005073600000000 ] - [ -0.0003757200000000, 0.0005588100000000, -0.0005488100000000 ] - [ -0.0001460500000000, -0.0003289000000000, -0.0005485500000000 ] - [ 0.0003319400000000, -0.0002565100000000, -0.0010929200000000 ] - [ 0.0002710500000000, 0.0003392800000000, 0.0009028800000000 ] - [ 0.0066792500000000, -0.0011061100000000, -0.0057487200000000 ] - [ -0.0002509700000000, 0.0003076000000000, 0.0000209300000000 ] - [ -0.0000121400000000, 0.0001007100000000, -0.0001146200000000 ] - [ -0.0000443500000000, 0.0002442600000000, 0.0007213300000000 ] - [ 0.0012321000000000, 0.0040381300000000, -0.0002463100000000 ] - [ -0.0002564100000000, -0.0005959700000000, 0.0026632100000000 ] - [ -0.0013488700000000, 0.0020861300000000, 0.0046191500000000 ] - [ -0.0020127400000000, 0.0003089900000000, -0.0007424000000000 ] - [ -0.0020475500000000, 0.0001817500000000, -0.0006939900000000 ] - [ 0.0021927900000000, 0.0001202500000000, 0.0006035300000000 ] - [ 0.0022020900000000, 0.0001310600000000, 0.0016122100000000 ] - [ 0.0024861700000000, 0.0002445900000000, -0.0021642300000000 ] - [ 0.0021159100000000, 0.0004938300000000, -0.0014441700000000 ] - [ 0.0022114700000000, 0.0008269800000000, 0.0005826500000000 ] - [ -0.0062275900000000, -0.0025818900000000, -0.0010384400000000 ] - [ 0.0005090300000000, 0.0007602000000000, -0.0003388700000000 ] - [ 0.0006278600000000, 0.0005189000000000, -0.0002982500000000 ] - [ 0.0011422800000000, -0.0014289400000000, 0.0004012300000000 ] - [ -0.0008731300000000, -0.0008036300000000, 0.0010292200000000 ] - [ -0.0002689600000000, -0.0006925900000000, 0.0005332700000000 ] - [ 0.0001349300000000, -0.0007116400000000, 0.0003777700000000 ] - [ 0.0008613100000000, 0.0008099800000000, 0.0005248100000000 ] - [ 0.0005469000000000, -0.0006137500000000, 0.0007195100000000 ] - [ -0.0001800700000000, -0.0008427900000000, -0.0000378300000000 ] - [ 0.0001258300000000, -0.0005874400000000, 0.0000467300000000 ]