# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/16a4cf2c-512a-41bf-87eb-6b3a3bdbdbae/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 RbAl3(P3O10)2 / C222_1 (20) / materials id 555621](https://mdr.nims.go.jp/datasets/b1595941-c616-4a89-911d-9c04285f6bba) ## 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: "C222_1" number: 20 Hall_symbol: "C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.974049390000000, -6.487915960000000, 0.000000000000000 ] # a - [ 4.974049390000000, 6.487915960000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.984956320000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.521536440000000, 0.521536440000000, 0.500000000000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.478463560000000, 0.478463560000000, 0.000000000000000 ] mass: 85.467800 - symbol: Al # 3 coordinates: [ 0.246973470000000, 0.753026530000000, 0.250000000000000 ] mass: 26.981539 - symbol: Al # 4 coordinates: [ 0.753026530000000, 0.246973470000000, 0.750000000000000 ] mass: 26.981539 - symbol: Al # 5 coordinates: [ 0.706934400000000, 0.293065600000000, 0.250000000000000 ] mass: 26.981539 - symbol: Al # 6 coordinates: [ 0.867179630000000, 0.867179630000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 7 coordinates: [ 0.293065600000000, 0.706934400000000, 0.750000000000000 ] mass: 26.981539 - symbol: Al # 8 coordinates: [ 0.132820370000000, 0.132820370000000, 0.500000000000000 ] mass: 26.981539 - symbol: P # 9 coordinates: [ 0.846909700000000, 0.258554040000000, 0.011289590000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.741445960000000, 0.153090300000000, 0.488710410000000 ] mass: 30.973762 - symbol: P # 11 coordinates: [ 0.153090300000000, 0.741445960000000, 0.511289590000000 ] mass: 30.973762 - symbol: P # 12 coordinates: [ 0.366651640000000, 0.093638660000000, 0.817438500000000 ] mass: 30.973762 - symbol: P # 13 coordinates: [ 0.633348360000000, 0.906361340000000, 0.317438500000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.168814270000000, 0.304535310000000, 0.723273600000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.093638660000000, 0.366651640000000, 0.182561500000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.831185730000000, 0.695464690000000, 0.223273600000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.695464690000000, 0.831185730000000, 0.776726400000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.258554040000000, 0.846909700000000, 0.988710410000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.906361340000000, 0.633348360000000, 0.682561500000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.304535310000000, 0.168814270000000, 0.276726400000000 ] mass: 30.973762 - symbol: O # 21 coordinates: [ 0.255241820000000, 0.239065860000000, 0.388119880000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.365284990000000, 0.035482930000000, 0.945394580000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.035482930000000, 0.365284990000000, 0.054605420000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.964517070000000, 0.634715010000000, 0.554605420000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.727144400000000, 0.019442240000000, 0.785842220000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.634715010000000, 0.964517070000000, 0.445394580000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.767621320000000, 0.474679240000000, 0.702437460000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.925811420000000, 0.144646800000000, 0.482832430000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.744758180000000, 0.760934140000000, 0.888119880000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.174839970000000, 0.207869570000000, 0.183703930000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.525320760000000, 0.232378680000000, 0.797562540000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.173836560000000, 0.679882840000000, 0.395603720000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.239065860000000, 0.255241820000000, 0.611880120000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.074188580000000, 0.855353200000000, 0.982832430000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.272855600000000, 0.980557760000000, 0.285842220000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.721615650000000, 0.300660850000000, 0.092528360000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.278384350000000, 0.699339150000000, 0.592528360000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.328450030000000, 0.943431310000000, 0.741680280000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.475408460000000, 0.269794620000000, 0.237795400000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.207869570000000, 0.174839970000000, 0.816296070000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.825160030000000, 0.792130430000000, 0.683703930000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.232378680000000, 0.525320760000000, 0.202437460000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.269794620000000, 0.475408460000000, 0.762204600000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.855353200000000, 0.074188580000000, 0.017167570000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.019442240000000, 0.727144400000000, 0.214157780000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.300660850000000, 0.721615650000000, 0.907471640000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.056568690000000, 0.671549970000000, 0.758319720000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.524591540000000, 0.730205380000000, 0.737795400000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.320117160000000, 0.826163440000000, 0.104396280000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.980557760000000, 0.272855600000000, 0.714157780000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.826163440000000, 0.320117160000000, 0.895603720000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.792130430000000, 0.825160030000000, 0.316296070000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.699339150000000, 0.278384350000000, 0.407471640000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.144646800000000, 0.925811420000000, 0.517167570000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.730205380000000, 0.524591540000000, 0.262204600000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.760934140000000, 0.744758180000000, 0.111880120000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.474679240000000, 0.767621320000000, 0.297562540000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.679882840000000, 0.173836560000000, 0.604396280000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.671549970000000, 0.056568690000000, 0.241680280000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.943431310000000, 0.328450030000000, 0.258319720000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.100521719990400, -0.077066349669548, 0.000000000000000 ] # a* - [ 0.100521719990400, 0.077066349669548, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.083437934465497 ] # c*unit_cell: lattice: - [ 9.948098780000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.975831919999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.984956320000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.021536440000000, 0.500000000000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.978463560000000, 0.500000000000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.521536440000000, 0.000000000000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.478463560000000, 0.000000000000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 2 - symbol: Al # 5 coordinates: [ 0.000000000000000, 0.753026530000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.000000000000000, 0.246973470000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.000000000000000, 0.293065600000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.367179630000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.000000000000000, 0.706934400000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.632820370000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.500000000000000, 0.253026530000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 12 coordinates: [ 0.500000000000000, 0.746973470000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 13 coordinates: [ 0.500000000000000, 0.793065600000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 14 coordinates: [ 0.867179630000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 15 coordinates: [ 0.500000000000000, 0.206934400000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 16 coordinates: [ 0.132820370000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 10 - symbol: P # 17 coordinates: [ 0.052731870000000, 0.205822170000000, 0.011289590000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.947268130000000, 0.205822170000000, 0.488710410000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.947268130000000, 0.794177830000000, 0.511289590000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.730145150000000, 0.363493510000000, 0.817438500000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.269854850000000, 0.636506490000000, 0.317438500000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.736674790000000, 0.567860520000000, 0.723273600000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.730145150000000, 0.636506490000000, 0.182561500000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.263325210000000, 0.432139480000000, 0.223273600000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.263325210000000, 0.567860520000000, 0.776726400000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.052731870000000, 0.794177830000000, 0.988710410000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.269854850000000, 0.363493510000000, 0.682561500000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.736674790000000, 0.432139480000000, 0.276726400000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.552731870000000, 0.705822170000000, 0.011289590000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 30 coordinates: [ 0.447268130000000, 0.705822170000000, 0.488710410000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 31 coordinates: [ 0.447268130000000, 0.294177830000000, 0.511289590000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 32 coordinates: [ 0.230145150000000, 0.863493510000000, 0.817438500000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 33 coordinates: [ 0.769854850000000, 0.136506490000000, 0.317438500000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 34 coordinates: [ 0.236674790000000, 0.067860520000000, 0.723273600000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 35 coordinates: [ 0.230145150000000, 0.136506490000000, 0.182561500000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 36 coordinates: [ 0.763325210000000, 0.932139480000000, 0.223273600000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 37 coordinates: [ 0.763325210000000, 0.067860520000000, 0.776726400000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 38 coordinates: [ 0.552731870000000, 0.294177830000000, 0.988710410000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 39 coordinates: [ 0.769854850000000, 0.863493510000000, 0.682561500000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 40 coordinates: [ 0.236674790000000, 0.932139480000000, 0.276726400000000 ] mass: 30.973762 reduced_to: 28 - symbol: O # 41 coordinates: [ 0.747153840000000, 0.491912020000000, 0.388119880000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.700383960000000, 0.335098970000000, 0.945394580000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.700383960000000, 0.664901030000000, 0.054605420000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.299616040000000, 0.335098970000000, 0.554605420000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.873293320000000, 0.146148920000000, 0.785842220000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.299616040000000, 0.664901030000000, 0.445394580000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.121150280000000, 0.353528960000000, 0.702437460000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.035229110000000, 0.109417690000000, 0.482832430000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.252846160000000, 0.508087980000000, 0.888119880000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.691354770000000, 0.516514800000000, 0.183703930000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.878849720000000, 0.353528960000000, 0.797562540000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.926859700000000, 0.753023140000000, 0.395603720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.747153840000000, 0.508087980000000, 0.611880120000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.964770890000000, 0.890582310000000, 0.982832430000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.126706680000000, 0.853851080000000, 0.285842220000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.011138250000000, 0.289522600000000, 0.092528360000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.988861750000000, 0.710477400000000, 0.592528360000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.135940670000000, 0.807490640000000, 0.741680280000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.872601540000000, 0.397193080000000, 0.237795400000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.691354770000000, 0.483485200000000, 0.816296070000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.308645230000000, 0.483485200000000, 0.683703930000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.878849720000000, 0.646471040000000, 0.202437460000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.872601540000000, 0.602806920000000, 0.762204600000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.964770890000000, 0.109417690000000, 0.017167570000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.873293320000000, 0.853851080000000, 0.214157780000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.011138250000000, 0.710477400000000, 0.907471640000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.864059330000000, 0.807490640000000, 0.758319720000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.127398460000000, 0.602806920000000, 0.737795400000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.073140300000000, 0.753023140000000, 0.104396280000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.126706680000000, 0.146148920000000, 0.714157780000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.073140300000000, 0.246976860000000, 0.895603720000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.308645230000000, 0.516514800000000, 0.316296070000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.988861750000000, 0.289522600000000, 0.407471640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.035229110000000, 0.890582310000000, 0.517167570000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.127398460000000, 0.397193080000000, 0.262204600000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.252846160000000, 0.491912020000000, 0.111880120000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.121150280000000, 0.646471040000000, 0.297562540000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.926859700000000, 0.246976860000000, 0.604396280000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.864059330000000, 0.192509360000000, 0.241680280000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.135940670000000, 0.192509360000000, 0.258319720000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.247153840000000, 0.991912020000000, 0.388119880000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 82 coordinates: [ 0.200383960000000, 0.835098970000000, 0.945394580000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 83 coordinates: [ 0.200383960000000, 0.164901030000000, 0.054605420000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 84 coordinates: [ 0.799616040000000, 0.835098970000000, 0.554605420000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 85 coordinates: [ 0.373293320000000, 0.646148920000000, 0.785842220000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 86 coordinates: [ 0.799616040000000, 0.164901030000000, 0.445394580000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 87 coordinates: [ 0.621150280000000, 0.853528960000000, 0.702437460000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 88 coordinates: [ 0.535229110000000, 0.609417690000000, 0.482832430000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 89 coordinates: [ 0.752846160000000, 0.008087980000000, 0.888119880000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 90 coordinates: [ 0.191354770000000, 0.016514800000000, 0.183703930000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 91 coordinates: [ 0.378849720000000, 0.853528960000000, 0.797562540000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 92 coordinates: [ 0.426859700000000, 0.253023140000000, 0.395603720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 93 coordinates: [ 0.247153840000000, 0.008087980000000, 0.611880120000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 94 coordinates: [ 0.464770890000000, 0.390582310000000, 0.982832430000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 95 coordinates: [ 0.626706680000000, 0.353851080000000, 0.285842220000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 96 coordinates: [ 0.511138250000000, 0.789522600000000, 0.092528360000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 97 coordinates: [ 0.488861750000000, 0.210477400000000, 0.592528360000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 98 coordinates: [ 0.635940670000000, 0.307490640000000, 0.741680280000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 99 coordinates: [ 0.372601540000000, 0.897193080000000, 0.237795400000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 100 coordinates: [ 0.191354770000000, 0.983485200000000, 0.816296070000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 101 coordinates: [ 0.808645230000000, 0.983485200000000, 0.683703930000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.378849720000000, 0.146471040000000, 0.202437460000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 103 coordinates: [ 0.372601540000000, 0.102806920000000, 0.762204600000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.464770890000000, 0.609417690000000, 0.017167570000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 105 coordinates: [ 0.373293320000000, 0.353851080000000, 0.214157780000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.511138250000000, 0.210477400000000, 0.907471640000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 107 coordinates: [ 0.364059330000000, 0.307490640000000, 0.758319720000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.627398460000000, 0.102806920000000, 0.737795400000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 109 coordinates: [ 0.573140300000000, 0.253023140000000, 0.104396280000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.626706680000000, 0.646148920000000, 0.714157780000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 111 coordinates: [ 0.573140300000000, 0.746976860000000, 0.895603720000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.808645230000000, 0.016514800000000, 0.316296070000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 113 coordinates: [ 0.488861750000000, 0.789522600000000, 0.407471640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.535229110000000, 0.390582310000000, 0.517167570000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 115 coordinates: [ 0.627398460000000, 0.897193080000000, 0.262204600000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 116 coordinates: [ 0.752846160000000, 0.991912020000000, 0.111880120000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 117 coordinates: [ 0.621150280000000, 0.146471040000000, 0.297562540000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 118 coordinates: [ 0.426859700000000, 0.746976860000000, 0.604396280000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 119 coordinates: [ 0.364059330000000, 0.692509360000000, 0.241680280000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.635940670000000, 0.692509360000000, 0.258319720000000 ] mass: 15.999400 reduced_to: 80supercell: lattice: - [ 9.948098780000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.975831919999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.984956320000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.021536440000000, 0.500000000000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.978463560000000, 0.500000000000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.521536440000000, 0.000000000000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.478463560000000, 0.000000000000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 2 - symbol: Al # 5 coordinates: [ 0.000000000000000, 0.753026530000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.000000000000000, 0.246973470000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.000000000000000, 0.293065600000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.367179630000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.000000000000000, 0.706934400000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.632820370000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.500000000000000, 0.253026530000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 12 coordinates: [ 0.500000000000000, 0.746973470000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 13 coordinates: [ 0.500000000000000, 0.793065600000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 14 coordinates: [ 0.867179630000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 15 coordinates: [ 0.500000000000000, 0.206934400000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 16 coordinates: [ 0.132820370000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 10 - symbol: P # 17 coordinates: [ 0.052731870000000, 0.205822170000000, 0.011289590000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.947268130000000, 0.205822170000000, 0.488710410000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.947268130000000, 0.794177830000000, 0.511289590000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.730145150000000, 0.363493510000000, 0.817438500000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.269854850000000, 0.636506490000000, 0.317438500000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.736674790000000, 0.567860520000000, 0.723273600000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.730145150000000, 0.636506490000000, 0.182561500000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.263325210000000, 0.432139480000000, 0.223273600000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.263325210000000, 0.567860520000000, 0.776726400000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.052731870000000, 0.794177830000000, 0.988710410000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.269854850000000, 0.363493510000000, 0.682561500000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.736674790000000, 0.432139480000000, 0.276726400000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.552731870000000, 0.705822170000000, 0.011289590000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 30 coordinates: [ 0.447268130000000, 0.705822170000000, 0.488710410000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 31 coordinates: [ 0.447268130000000, 0.294177830000000, 0.511289590000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 32 coordinates: [ 0.230145150000000, 0.863493510000000, 0.817438500000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 33 coordinates: [ 0.769854850000000, 0.136506490000000, 0.317438500000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 34 coordinates: [ 0.236674790000000, 0.067860520000000, 0.723273600000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 35 coordinates: [ 0.230145150000000, 0.136506490000000, 0.182561500000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 36 coordinates: [ 0.763325210000000, 0.932139480000000, 0.223273600000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 37 coordinates: [ 0.763325210000000, 0.067860520000000, 0.776726400000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 38 coordinates: [ 0.552731870000000, 0.294177830000000, 0.988710410000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 39 coordinates: [ 0.769854850000000, 0.863493510000000, 0.682561500000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 40 coordinates: [ 0.236674790000000, 0.932139480000000, 0.276726400000000 ] mass: 30.973762 reduced_to: 28 - symbol: O # 41 coordinates: [ 0.747153840000000, 0.491912020000000, 0.388119880000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.700383960000000, 0.335098970000000, 0.945394580000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.700383960000000, 0.664901030000000, 0.054605420000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.299616040000000, 0.335098970000000, 0.554605420000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.873293320000000, 0.146148920000000, 0.785842220000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.299616040000000, 0.664901030000000, 0.445394580000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.121150280000000, 0.353528960000000, 0.702437460000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.035229110000000, 0.109417690000000, 0.482832430000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.252846160000000, 0.508087980000000, 0.888119880000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.691354770000000, 0.516514800000000, 0.183703930000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.878849720000000, 0.353528960000000, 0.797562540000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.926859700000000, 0.753023140000000, 0.395603720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.747153840000000, 0.508087980000000, 0.611880120000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.964770890000000, 0.890582310000000, 0.982832430000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.126706680000000, 0.853851080000000, 0.285842220000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.011138250000000, 0.289522600000000, 0.092528360000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.988861750000000, 0.710477400000000, 0.592528360000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.135940670000000, 0.807490640000000, 0.741680280000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.872601540000000, 0.397193080000000, 0.237795400000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.691354770000000, 0.483485200000000, 0.816296070000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.308645230000000, 0.483485200000000, 0.683703930000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.878849720000000, 0.646471040000000, 0.202437460000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.872601540000000, 0.602806920000000, 0.762204600000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.964770890000000, 0.109417690000000, 0.017167570000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.873293320000000, 0.853851080000000, 0.214157780000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.011138250000000, 0.710477400000000, 0.907471640000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.864059330000000, 0.807490640000000, 0.758319720000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.127398460000000, 0.602806920000000, 0.737795400000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.073140300000000, 0.753023140000000, 0.104396280000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.126706680000000, 0.146148920000000, 0.714157780000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.073140300000000, 0.246976860000000, 0.895603720000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.308645230000000, 0.516514800000000, 0.316296070000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.988861750000000, 0.289522600000000, 0.407471640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.035229110000000, 0.890582310000000, 0.517167570000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.127398460000000, 0.397193080000000, 0.262204600000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.252846160000000, 0.491912020000000, 0.111880120000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.121150280000000, 0.646471040000000, 0.297562540000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.926859700000000, 0.246976860000000, 0.604396280000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.864059330000000, 0.192509360000000, 0.241680280000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.135940670000000, 0.192509360000000, 0.258319720000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.247153840000000, 0.991912020000000, 0.388119880000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 82 coordinates: [ 0.200383960000000, 0.835098970000000, 0.945394580000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 83 coordinates: [ 0.200383960000000, 0.164901030000000, 0.054605420000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 84 coordinates: [ 0.799616040000000, 0.835098970000000, 0.554605420000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 85 coordinates: [ 0.373293320000000, 0.646148920000000, 0.785842220000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 86 coordinates: [ 0.799616040000000, 0.164901030000000, 0.445394580000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 87 coordinates: [ 0.621150280000000, 0.853528960000000, 0.702437460000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 88 coordinates: [ 0.535229110000000, 0.609417690000000, 0.482832430000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 89 coordinates: [ 0.752846160000000, 0.008087980000000, 0.888119880000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 90 coordinates: [ 0.191354770000000, 0.016514800000000, 0.183703930000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 91 coordinates: [ 0.378849720000000, 0.853528960000000, 0.797562540000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 92 coordinates: [ 0.426859700000000, 0.253023140000000, 0.395603720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 93 coordinates: [ 0.247153840000000, 0.008087980000000, 0.611880120000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 94 coordinates: [ 0.464770890000000, 0.390582310000000, 0.982832430000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 95 coordinates: [ 0.626706680000000, 0.353851080000000, 0.285842220000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 96 coordinates: [ 0.511138250000000, 0.789522600000000, 0.092528360000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 97 coordinates: [ 0.488861750000000, 0.210477400000000, 0.592528360000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 98 coordinates: [ 0.635940670000000, 0.307490640000000, 0.741680280000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 99 coordinates: [ 0.372601540000000, 0.897193080000000, 0.237795400000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 100 coordinates: [ 0.191354770000000, 0.983485200000000, 0.816296070000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 101 coordinates: [ 0.808645230000000, 0.983485200000000, 0.683703930000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.378849720000000, 0.146471040000000, 0.202437460000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 103 coordinates: [ 0.372601540000000, 0.102806920000000, 0.762204600000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.464770890000000, 0.609417690000000, 0.017167570000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 105 coordinates: [ 0.373293320000000, 0.353851080000000, 0.214157780000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.511138250000000, 0.210477400000000, 0.907471640000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 107 coordinates: [ 0.364059330000000, 0.307490640000000, 0.758319720000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.627398460000000, 0.102806920000000, 0.737795400000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 109 coordinates: [ 0.573140300000000, 0.253023140000000, 0.104396280000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.626706680000000, 0.646148920000000, 0.714157780000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 111 coordinates: [ 0.573140300000000, 0.746976860000000, 0.895603720000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.808645230000000, 0.016514800000000, 0.316296070000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 113 coordinates: [ 0.488861750000000, 0.789522600000000, 0.407471640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.535229110000000, 0.390582310000000, 0.517167570000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 115 coordinates: [ 0.627398460000000, 0.897193080000000, 0.262204600000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 116 coordinates: [ 0.752846160000000, 0.991912020000000, 0.111880120000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 117 coordinates: [ 0.621150280000000, 0.146471040000000, 0.297562540000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 118 coordinates: [ 0.426859700000000, 0.746976860000000, 0.604396280000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 119 coordinates: [ 0.364059330000000, 0.692509360000000, 0.241680280000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.635940670000000, 0.692509360000000, 0.258319720000000 ] mass: 15.999400 reduced_to: 80displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0143117500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006643800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002479500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000221300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0022119300000000, 0.0000436600000000, 0.0002121900000000 ] - [ -0.0022119300000000, -0.0000436600000000, -0.0002121900000000 ] - [ -0.0028363300000000, 0.0003095800000000, 0.0004310500000000 ] - [ 0.0017962200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0028363300000000, -0.0003095800000000, -0.0004310500000000 ] - [ 0.0088227000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018338600000000, -0.0001717000000000, -0.0000182600000000 ] - [ 0.0018338600000000, 0.0001717000000000, 0.0000182600000000 ] - [ 0.0013493000000000, 0.0004876200000000, -0.0003690600000000 ] - [ 0.0003725200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0013493000000000, -0.0004876200000000, 0.0003690600000000 ] - [ -0.0012094100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000101300000000, 0.0003447300000000, -0.0001102700000000 ] - [ -0.0014920700000000, 0.0022304300000000, 0.0008262800000000 ] - [ -0.0014920700000000, -0.0022304300000000, -0.0008262800000000 ] - [ 0.0000980500000000, 0.0017891400000000, -0.0013548400000000 ] - [ 0.0026401200000000, 0.0042044200000000, -0.0047054600000000 ] - [ 0.0025726000000000, -0.0030336100000000, -0.0070430500000000 ] - [ 0.0000980500000000, -0.0017891400000000, 0.0013548400000000 ] - [ 0.0011932200000000, -0.0025093300000000, -0.0037410800000000 ] - [ 0.0011932200000000, 0.0025093300000000, 0.0037410800000000 ] - [ -0.0000101300000000, -0.0003447300000000, 0.0001102700000000 ] - [ 0.0026401200000000, -0.0042044200000000, 0.0047054600000000 ] - [ 0.0025726000000000, 0.0030336100000000, 0.0070430500000000 ] - [ 0.0014461400000000, 0.0004951500000000, -0.0003012500000000 ] - [ 0.0046137800000000, 0.0005948400000000, 0.0015028900000000 ] - [ 0.0046137800000000, -0.0005948400000000, -0.0015028900000000 ] - [ -0.0003729100000000, 0.0001214400000000, -0.0000534900000000 ] - [ 0.0006550800000000, 0.0006506600000000, 0.0000224600000000 ] - [ -0.0000401900000000, -0.0000427600000000, 0.0000425600000000 ] - [ -0.0003729100000000, -0.0001214400000000, 0.0000534900000000 ] - [ 0.0002530800000000, -0.0002971500000000, 0.0002670900000000 ] - [ 0.0002530800000000, 0.0002971500000000, -0.0002670900000000 ] - [ 0.0014461400000000, -0.0004951500000000, 0.0003012500000000 ] - [ 0.0006550800000000, -0.0006506600000000, -0.0000224600000000 ] - [ -0.0000401900000000, 0.0000427600000000, -0.0000425600000000 ] - [ 0.0007768800000000, -0.0010243400000000, -0.0021182200000000 ] - [ 0.0000870700000000, -0.0001515000000000, 0.0006041900000000 ] - [ 0.0000870700000000, 0.0001515000000000, -0.0006041900000000 ] - [ -0.0030777000000000, 0.0016705800000000, -0.0001601100000000 ] - [ -0.0000168100000000, -0.0000686600000000, -0.0000437400000000 ] - [ -0.0030777000000000, -0.0016705800000000, 0.0001601100000000 ] - [ 0.0009031700000000, 0.0009134000000000, -0.0009676600000000 ] - [ 0.0010058500000000, -0.0007755900000000, 0.0000781200000000 ] - [ -0.0002111400000000, -0.0000636400000000, -0.0010361000000000 ] - [ -0.0004274000000000, 0.0009603500000000, -0.0012741900000000 ] - [ 0.0008409300000000, -0.0010021800000000, 0.0004715800000000 ] - [ 0.0011093500000000, 0.0008361100000000, -0.0001222600000000 ] - [ 0.0007768800000000, 0.0010243400000000, 0.0021182200000000 ] - [ -0.0002945400000000, 0.0000200600000000, 0.0001855500000000 ] - [ 0.0002176500000000, -0.0004120800000000, -0.0001757700000000 ] - [ 0.0001466100000000, 0.0004175800000000, -0.0001285300000000 ] - [ 0.0014790400000000, -0.0007960000000000, -0.0000440400000000 ] - [ 0.0006941400000000, -0.0000968500000000, 0.0000518200000000 ] - [ 0.0007126300000000, -0.0006971700000000, -0.0013056100000000 ] - [ -0.0004274000000000, -0.0009603500000000, 0.0012741900000000 ] - [ -0.0005060700000000, 0.0000359900000000, -0.0018048300000000 ] - [ 0.0008409300000000, 0.0010021800000000, -0.0004715800000000 ] - [ 0.0007126300000000, 0.0006971700000000, 0.0013056100000000 ] - [ -0.0002945400000000, -0.0000200600000000, -0.0001855500000000 ] - [ -0.0000168100000000, 0.0000686600000000, 0.0000437400000000 ] - [ 0.0001466100000000, -0.0004175800000000, 0.0001285300000000 ] - [ -0.0004876300000000, 0.0004664600000000, 0.0000058500000000 ] - [ 0.0011175400000000, -0.0016152100000000, -0.0008582400000000 ] - [ -0.0000120500000000, -0.0000849400000000, 0.0000119300000000 ] - [ 0.0002176500000000, 0.0004120800000000, 0.0001757700000000 ] - [ -0.0000120500000000, 0.0000849400000000, -0.0000119300000000 ] - [ -0.0005060700000000, -0.0000359900000000, 0.0018048300000000 ] - [ 0.0014790400000000, 0.0007960000000000, 0.0000440400000000 ] - [ 0.0010058500000000, 0.0007755900000000, -0.0000781200000000 ] - [ 0.0011175400000000, 0.0016152100000000, 0.0008582400000000 ] - [ -0.0002111400000000, 0.0000636400000000, 0.0010361000000000 ] - [ 0.0009031700000000, -0.0009134000000000, 0.0009676600000000 ] - [ 0.0011093500000000, -0.0008361100000000, 0.0001222600000000 ] - [ -0.0004876300000000, -0.0004664600000000, -0.0000058500000000 ] - [ 0.0006941400000000, 0.0000968500000000, -0.0000518200000000 ] - [ 0.0001029900000000, -0.0000248500000000, -0.0000561700000000 ] - [ 0.0007208600000000, 0.0002490900000000, 0.0000997500000000 ] - [ 0.0007208600000000, -0.0002490900000000, -0.0000997500000000 ] - [ -0.0005441600000000, 0.0004044000000000, 0.0000749500000000 ] - [ -0.0011005300000000, -0.0008608500000000, -0.0004893500000000 ] - [ -0.0005441600000000, -0.0004044000000000, -0.0000749500000000 ] - [ -0.0007509400000000, -0.0001902500000000, -0.0000603100000000 ] - [ -0.0024145800000000, 0.0016169100000000, -0.0001290400000000 ] - [ -0.0000237800000000, -0.0000685700000000, 0.0001685800000000 ] - [ -0.0001018900000000, -0.0001217100000000, 0.0004135800000000 ] - [ 0.0003857100000000, -0.0004744000000000, -0.0000045800000000 ] - [ -0.0006395300000000, 0.0001307200000000, 0.0007242900000000 ] - [ 0.0001029900000000, 0.0000248500000000, 0.0000561700000000 ] - [ -0.0011415900000000, 0.0005601300000000, 0.0001532900000000 ] - [ -0.0018510200000000, -0.0020471500000000, -0.0011528000000000 ] - [ -0.0006212300000000, 0.0004874100000000, 0.0001145000000000 ] - [ -0.0007799000000000, 0.0000008300000000, -0.0002115300000000 ] - [ -0.0001862600000000, -0.0005249300000000, 0.0001314000000000 ] - [ -0.0001838900000000, 0.0003308400000000, 0.0004024600000000 ] - [ -0.0001018900000000, 0.0001217100000000, -0.0004135800000000 ] - [ 0.0000589300000000, 0.0003190400000000, 0.0004672400000000 ] - [ 0.0003857100000000, 0.0004744000000000, 0.0000045800000000 ] - [ -0.0001838900000000, -0.0003308400000000, -0.0004024600000000 ] - [ -0.0011415900000000, -0.0005601300000000, -0.0001532900000000 ] - [ -0.0011005300000000, 0.0008608500000000, 0.0004893500000000 ] - [ -0.0006212300000000, -0.0004874100000000, -0.0001145000000000 ] - [ -0.0015414900000000, 0.0011478100000000, -0.0009465000000000 ] - [ -0.0000553100000000, -0.0005267600000000, 0.0003426600000000 ] - [ -0.0006195800000000, -0.0000257200000000, -0.0003836200000000 ] - [ -0.0018510200000000, 0.0020471500000000, 0.0011528000000000 ] - [ -0.0006195800000000, 0.0000257200000000, 0.0003836200000000 ] - [ 0.0000589300000000, -0.0003190400000000, -0.0004672400000000 ] - [ -0.0007799000000000, -0.0000008300000000, 0.0002115300000000 ] - [ -0.0024145800000000, -0.0016169100000000, 0.0001290400000000 ] - [ -0.0000553100000000, 0.0005267600000000, -0.0003426600000000 ] - [ -0.0000237800000000, 0.0000685700000000, -0.0001685800000000 ] - [ -0.0007509400000000, 0.0001902500000000, 0.0000603100000000 ] - [ -0.0006395300000000, -0.0001307200000000, -0.0007242900000000 ] - [ -0.0015414900000000, -0.0011478100000000, 0.0009465000000000 ] - [ -0.0001862600000000, 0.0005249300000000, -0.0001314000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0148394300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005114000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000932000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001765500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022151800000000, -0.0008857000000000, -0.0002007300000000 ] - [ 0.0022151800000000, 0.0008857000000000, 0.0002007300000000 ] - [ 0.0028428300000000, 0.0000851600000000, -0.0004097400000000 ] - [ -0.0006256900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0028428300000000, -0.0000851600000000, 0.0004097400000000 ] - [ -0.0100762000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0018357700000000, -0.0006738400000000, 0.0000132000000000 ] - [ -0.0018357700000000, 0.0006738400000000, -0.0000132000000000 ] - [ -0.0013500800000000, -0.0000910400000000, 0.0003654100000000 ] - [ 0.0008002400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013500800000000, 0.0000910400000000, -0.0003654100000000 ] - [ 0.0000307400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006857600000000, 0.0005098600000000, -0.0003770100000000 ] - [ 0.0008345100000000, -0.0013477500000000, -0.0003460300000000 ] - [ 0.0008345100000000, 0.0013477500000000, 0.0003460300000000 ] - [ -0.0008483400000000, -0.0019510600000000, 0.0008957600000000 ] - [ -0.0019103600000000, -0.0040211500000000, 0.0041969600000000 ] - [ -0.0025848200000000, 0.0036366800000000, 0.0072547200000000 ] - [ -0.0008483400000000, 0.0019510600000000, -0.0008957600000000 ] - [ -0.0012145200000000, 0.0019083300000000, 0.0038896000000000 ] - [ -0.0012145200000000, -0.0019083300000000, -0.0038896000000000 ] - [ 0.0006857600000000, -0.0005098600000000, 0.0003770100000000 ] - [ -0.0019103600000000, 0.0040211500000000, -0.0041969600000000 ] - [ -0.0025848200000000, -0.0036366800000000, -0.0072547200000000 ] - [ -0.0007719200000000, 0.0003630800000000, -0.0001858300000000 ] - [ -0.0052876300000000, 0.0002844600000000, -0.0010141600000000 ] - [ -0.0052876300000000, -0.0002844600000000, 0.0010141600000000 ] - [ -0.0003902700000000, -0.0002737500000000, -0.0004131700000000 ] - [ 0.0001110800000000, -0.0004985800000000, -0.0004832200000000 ] - [ 0.0000298700000000, 0.0006252100000000, 0.0001184800000000 ] - [ -0.0003902700000000, 0.0002737500000000, 0.0004131700000000 ] - [ -0.0002434300000000, -0.0002846700000000, -0.0001027100000000 ] - [ -0.0002434300000000, 0.0002846700000000, 0.0001027100000000 ] - [ -0.0007719200000000, -0.0003630800000000, 0.0001858300000000 ] - [ 0.0001110800000000, 0.0004985800000000, 0.0004832200000000 ] - [ 0.0000298700000000, -0.0006252100000000, -0.0001184800000000 ] - [ -0.0009518100000000, 0.0011374300000000, 0.0022018900000000 ] - [ 0.0011037700000000, 0.0005980500000000, -0.0003044700000000 ] - [ 0.0011037700000000, -0.0005980500000000, 0.0003044700000000 ] - [ 0.0018962900000000, -0.0012219800000000, -0.0001490300000000 ] - [ -0.0000461400000000, 0.0002480400000000, -0.0002794400000000 ] - [ 0.0018962900000000, 0.0012219800000000, 0.0001490300000000 ] - [ -0.0018087600000000, -0.0016362000000000, 0.0008632900000000 ] - [ -0.0000458500000000, 0.0004314800000000, 0.0002172800000000 ] - [ 0.0002195100000000, -0.0000548500000000, 0.0011771000000000 ] - [ 0.0001923600000000, -0.0011640900000000, 0.0020095200000000 ] - [ 0.0000810100000000, 0.0002878500000000, -0.0003596500000000 ] - [ -0.0005738800000000, -0.0007948500000000, 0.0005218400000000 ] - [ -0.0009518100000000, -0.0011374300000000, -0.0022018900000000 ] - [ -0.0006625300000000, 0.0003165100000000, 0.0001081500000000 ] - [ -0.0001538500000000, 0.0002342500000000, -0.0001499000000000 ] - [ -0.0006746900000000, 0.0004473400000000, 0.0000152200000000 ] - [ -0.0009524200000000, -0.0000685000000000, -0.0000711000000000 ] - [ 0.0003362900000000, 0.0003535600000000, 0.0000758600000000 ] - [ -0.0010782200000000, 0.0017950500000000, 0.0020581200000000 ] - [ 0.0001923600000000, 0.0011640900000000, -0.0020095200000000 ] - [ 0.0007520000000000, 0.0001633000000000, 0.0025210200000000 ] - [ 0.0000810100000000, -0.0002878500000000, 0.0003596500000000 ] - [ -0.0010782200000000, -0.0017950500000000, -0.0020581200000000 ] - [ -0.0006625300000000, -0.0003165100000000, -0.0001081500000000 ] - [ -0.0000461400000000, -0.0002480400000000, 0.0002794400000000 ] - [ -0.0006746900000000, -0.0004473400000000, -0.0000152200000000 ] - [ -0.0005429600000000, -0.0002109600000000, -0.0001277100000000 ] - [ -0.0007498700000000, 0.0005256600000000, 0.0016155900000000 ] - [ -0.0005306600000000, 0.0001182400000000, -0.0004179200000000 ] - [ -0.0001538500000000, -0.0002342500000000, 0.0001499000000000 ] - [ -0.0005306600000000, -0.0001182400000000, 0.0004179200000000 ] - [ 0.0007520000000000, -0.0001633000000000, -0.0025210200000000 ] - [ -0.0009524200000000, 0.0000685000000000, 0.0000711000000000 ] - [ -0.0000458500000000, -0.0004314800000000, -0.0002172800000000 ] - [ -0.0007498700000000, -0.0005256600000000, -0.0016155900000000 ] - [ 0.0002195100000000, 0.0000548500000000, -0.0011771000000000 ] - [ -0.0018087600000000, 0.0016362000000000, -0.0008632900000000 ] - [ -0.0005738800000000, 0.0007948500000000, -0.0005218400000000 ] - [ -0.0005429600000000, 0.0002109600000000, 0.0001277100000000 ] - [ 0.0003362900000000, -0.0003535600000000, -0.0000758600000000 ] - [ -0.0001043600000000, 0.0001398700000000, 0.0001970200000000 ] - [ 0.0004716900000000, 0.0001958000000000, 0.0002023600000000 ] - [ 0.0004716900000000, -0.0001958000000000, -0.0002023600000000 ] - [ -0.0006565800000000, 0.0000449000000000, -0.0003727200000000 ] - [ 0.0010458600000000, 0.0010388100000000, 0.0001622800000000 ] - [ -0.0006565800000000, -0.0000449000000000, 0.0003727200000000 ] - [ -0.0001835700000000, -0.0005305000000000, -0.0000502700000000 ] - [ 0.0033797600000000, -0.0019662000000000, 0.0004231000000000 ] - [ 0.0000265900000000, -0.0000473800000000, -0.0000260900000000 ] - [ -0.0001315400000000, -0.0000776300000000, 0.0003126300000000 ] - [ 0.0005464100000000, -0.0002452100000000, 0.0001149700000000 ] - [ 0.0011818500000000, -0.0000912500000000, -0.0003149400000000 ] - [ -0.0001043600000000, -0.0001398700000000, -0.0001970200000000 ] - [ 0.0001850100000000, -0.0002226600000000, 0.0001403700000000 ] - [ 0.0019170800000000, 0.0018743800000000, 0.0008348300000000 ] - [ 0.0000948000000000, 0.0003744300000000, -0.0002278700000000 ] - [ 0.0013057000000000, -0.0008578800000000, 0.0000943700000000 ] - [ 0.0012124100000000, 0.0007829500000000, -0.0000083800000000 ] - [ -0.0001608600000000, 0.0007554800000000, 0.0003420800000000 ] - [ -0.0001315400000000, 0.0000776300000000, -0.0003126300000000 ] - [ 0.0001741400000000, -0.0001186000000000, 0.0002610800000000 ] - [ 0.0005464100000000, 0.0002452100000000, -0.0001149700000000 ] - [ -0.0001608600000000, -0.0007554800000000, -0.0003420800000000 ] - [ 0.0001850100000000, 0.0002226600000000, -0.0001403700000000 ] - [ 0.0010458600000000, -0.0010388100000000, -0.0001622800000000 ] - [ 0.0000948000000000, -0.0003744300000000, 0.0002278700000000 ] - [ 0.0005206200000000, -0.0008902900000000, 0.0008176500000000 ] - [ 0.0004008300000000, -0.0005596200000000, 0.0004017000000000 ] - [ 0.0000773800000000, 0.0000610100000000, -0.0000209800000000 ] - [ 0.0019170800000000, -0.0018743800000000, -0.0008348300000000 ] - [ 0.0000773800000000, -0.0000610100000000, 0.0000209800000000 ] - [ 0.0001741400000000, 0.0001186000000000, -0.0002610800000000 ] - [ 0.0013057000000000, 0.0008578800000000, -0.0000943700000000 ] - [ 0.0033797600000000, 0.0019662000000000, -0.0004231000000000 ] - [ 0.0004008300000000, 0.0005596200000000, -0.0004017000000000 ] - [ 0.0000265900000000, 0.0000473800000000, 0.0000260900000000 ] - [ -0.0001835700000000, 0.0005305000000000, 0.0000502700000000 ] - [ 0.0011818500000000, 0.0000912500000000, 0.0003149400000000 ] - [ 0.0005206200000000, 0.0008902900000000, -0.0008176500000000 ] - [ 0.0012124100000000, -0.0007829500000000, 0.0000083800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000892500000000, -0.0163451400000000, -0.0033056800000000 ] - [ -0.0000771200000000, -0.0007004500000000, 0.0001637200000000 ] - [ 0.0000767300000000, 0.0007749400000000, -0.0000239600000000 ] - [ -0.0000771900000000, 0.0003905200000000, 0.0000061400000000 ] - [ -0.0001367000000000, 0.0015718900000000, -0.0037542900000000 ] - [ 0.0001460400000000, 0.0024170700000000, -0.0037266900000000 ] - [ -0.0000738900000000, 0.0014369400000000, 0.0054212300000000 ] - [ 0.0005850300000000, -0.0009900500000000, 0.0003323400000000 ] - [ 0.0000743600000000, 0.0010363800000000, 0.0054576100000000 ] - [ -0.0005694200000000, -0.0033912300000000, -0.0005744600000000 ] - [ 0.0000631600000000, -0.0003922200000000, 0.0006789400000000 ] - [ -0.0000625800000000, 0.0004354100000000, 0.0006799300000000 ] - [ 0.0004170900000000, 0.0010535800000000, -0.0005757100000000 ] - [ 0.0005868800000000, 0.0011994500000000, 0.0000156300000000 ] - [ -0.0004180500000000, 0.0006690000000000, -0.0005748600000000 ] - [ -0.0005801000000000, 0.0042156500000000, -0.0001453200000000 ] - [ 0.0004425400000000, 0.0012953400000000, -0.0002521800000000 ] - [ 0.0019045400000000, 0.0115202100000000, -0.0001633000000000 ] - [ -0.0026025400000000, 0.0107534200000000, -0.0006171400000000 ] - [ 0.0010087500000000, -0.0019400400000000, -0.0009340400000000 ] - [ 0.0057102700000000, -0.0023580700000000, -0.0036080100000000 ] - [ -0.0025214500000000, -0.0025238500000000, 0.0008280100000000 ] - [ -0.0017694500000000, -0.0018000400000000, -0.0004668200000000 ] - [ -0.0032313800000000, -0.0041192900000000, 0.0006628500000000 ] - [ 0.0032294200000000, -0.0035464200000000, 0.0004846000000000 ] - [ 0.0002326800000000, 0.0004352000000000, 0.0002347900000000 ] - [ -0.0049492100000000, -0.0024832300000000, -0.0031310000000000 ] - [ 0.0025233400000000, -0.0030810000000000, 0.0006993900000000 ] - [ 0.0000936200000000, 0.0000746100000000, -0.0001525900000000 ] - [ 0.0023628700000000, 0.0007965800000000, 0.0009912500000000 ] - [ -0.0030314400000000, -0.0000476600000000, 0.0005035600000000 ] - [ 0.0002497900000000, 0.0018308500000000, 0.0004869100000000 ] - [ 0.0016255400000000, 0.0028852700000000, 0.0016476900000000 ] - [ -0.0005791400000000, 0.0026828100000000, -0.0003128600000000 ] - [ -0.0010037800000000, 0.0019848400000000, 0.0009476900000000 ] - [ -0.0002804400000000, 0.0020878400000000, 0.0004110200000000 ] - [ 0.0002798800000000, 0.0026706900000000, 0.0002519200000000 ] - [ 0.0005819100000000, -0.0007768100000000, 0.0003348400000000 ] - [ -0.0008751100000000, 0.0027345600000000, 0.0021270200000000 ] - [ 0.0005788900000000, 0.0021000200000000, -0.0004814900000000 ] - [ -0.0005413300000000, 0.0019346400000000, 0.0004209800000000 ] - [ 0.0003289600000000, 0.0004206700000000, 0.0003425500000000 ] - [ 0.0008622300000000, -0.0000222400000000, 0.0000407400000000 ] - [ 0.0014913400000000, 0.0000375600000000, 0.0001570800000000 ] - [ -0.0007845400000000, -0.0011034000000000, 0.0003464600000000 ] - [ -0.0026839800000000, -0.0003974200000000, 0.0004601900000000 ] - [ 0.0011469700000000, 0.0002801000000000, 0.0010147000000000 ] - [ 0.0020967100000000, -0.0044706200000000, 0.0003526700000000 ] - [ -0.0005061300000000, 0.0010314700000000, -0.0005322900000000 ] - [ -0.0002082800000000, 0.0016878600000000, -0.0002219000000000 ] - [ -0.0006240300000000, 0.0002242600000000, 0.0009698000000000 ] - [ 0.0007046100000000, -0.0030356500000000, 0.0017891700000000 ] - [ 0.0005313700000000, 0.0018275200000000, 0.0002937500000000 ] - [ -0.0001572200000000, -0.0006247000000000, 0.0001257100000000 ] - [ -0.0008947000000000, -0.0015476700000000, 0.0002280600000000 ] - [ -0.0002365300000000, 0.0002419600000000, -0.0005232700000000 ] - [ 0.0004917500000000, 0.0012221900000000, 0.0007619100000000 ] - [ -0.0004137900000000, -0.0009090400000000, -0.0008543200000000 ] - [ -0.0018157200000000, 0.0016565300000000, -0.0006371700000000 ] - [ -0.0000258900000000, 0.0018818500000000, -0.0009406800000000 ] - [ 0.0003218300000000, 0.0033328000000000, 0.0013599500000000 ] - [ 0.0015557100000000, 0.0009492800000000, 0.0008611000000000 ] - [ 0.0014729100000000, 0.0005821200000000, -0.0013785000000000 ] - [ -0.0008010400000000, -0.0009637000000000, -0.0001679800000000 ] - [ 0.0007257700000000, -0.0012845600000000, 0.0006764700000000 ] - [ -0.0002902900000000, -0.0006187500000000, -0.0004093300000000 ] - [ 0.0003153100000000, -0.0008823600000000, -0.0008589800000000 ] - [ -0.0018800200000000, 0.0009627000000000, -0.0012575800000000 ] - [ -0.0002338700000000, -0.0002720000000000, 0.0002195600000000 ] - [ 0.0009523100000000, -0.0013674200000000, 0.0005492600000000 ] - [ -0.0003087200000000, -0.0003077600000000, 0.0006245800000000 ] - [ -0.0000854800000000, 0.0031389600000000, 0.0006247000000000 ] - [ -0.0000004000000000, 0.0018250000000000, 0.0007869600000000 ] - [ -0.0011434600000000, -0.0041449400000000, 0.0000543100000000 ] - [ 0.0022283800000000, 0.0020339300000000, -0.0020112100000000 ] - [ 0.0005095300000000, 0.0011477000000000, -0.0006777600000000 ] - [ -0.0020661100000000, 0.0010326300000000, 0.0011009800000000 ] - [ -0.0001564900000000, -0.0030533600000000, 0.0013664400000000 ] - [ -0.0013412500000000, -0.0011377700000000, -0.0007289000000000 ] - [ 0.0014381000000000, -0.0011637600000000, -0.0009749100000000 ] - [ -0.0000447000000000, -0.0009423800000000, -0.0001404500000000 ] - [ 0.0004189800000000, -0.0001376800000000, -0.0000277700000000 ] - [ 0.0007737400000000, -0.0005839500000000, -0.0003268700000000 ] - [ 0.0014814000000000, -0.0018065100000000, -0.0015763200000000 ] - [ -0.0004609800000000, 0.0006459700000000, -0.0003687400000000 ] - [ -0.0026635500000000, -0.0022426600000000, -0.0012630900000000 ] - [ -0.0000258300000000, -0.0007658700000000, -0.0003977900000000 ] - [ -0.0003558200000000, 0.0010477700000000, 0.0000695000000000 ] - [ -0.0000388200000000, -0.0007169700000000, 0.0001594500000000 ] - [ -0.0000833500000000, -0.0016508000000000, 0.0007389900000000 ] - [ 0.0003803900000000, -0.0007912600000000, -0.0001588300000000 ] - [ 0.0007286400000000, -0.0001317600000000, -0.0002201300000000 ] - [ 0.0000382800000000, -0.0010591500000000, -0.0002861100000000 ] - [ -0.0007132200000000, 0.0006988200000000, 0.0001146600000000 ] - [ -0.0001328500000000, 0.0004947900000000, -0.0001999100000000 ] - [ -0.0002963000000000, 0.0003290400000000, 0.0000581700000000 ] - [ 0.0007890700000000, -0.0010356500000000, 0.0002303800000000 ] - [ 0.0004604900000000, 0.0004558600000000, 0.0003920100000000 ] - [ -0.0001334400000000, -0.0000854000000000, 0.0004632400000000 ] - [ -0.0001519600000000, -0.0014502500000000, 0.0000102000000000 ] - [ 0.0001604400000000, -0.0018815100000000, -0.0003398700000000 ] - [ 0.0005459200000000, -0.0000750100000000, -0.0002693700000000 ] - [ -0.0002172500000000, -0.0011760500000000, -0.0002825700000000 ] - [ -0.0002428000000000, 0.0003644100000000, -0.0001789400000000 ] - [ 0.0004026400000000, 0.0004619200000000, -0.0000446500000000 ] - [ -0.0002308500000000, -0.0005368500000000, 0.0001702300000000 ] - [ 0.0006237300000000, 0.0000437500000000, 0.0006501000000000 ] - [ 0.0004216800000000, -0.0011829800000000, 0.0004623800000000 ] - [ -0.0003353600000000, 0.0000680900000000, -0.0004103900000000 ] - [ 0.0001883300000000, 0.0006865800000000, 0.0001293900000000 ] - [ -0.0002069700000000, 0.0000363400000000, -0.0000047100000000 ] - [ 0.0000755300000000, -0.0020791900000000, -0.0010636100000000 ] - [ -0.0002617100000000, -0.0001681500000000, 0.0003428800000000 ] - [ 0.0013053300000000, 0.0013734500000000, -0.0002231400000000 ] - [ -0.0000708700000000, -0.0000921700000000, -0.0002815900000000 ] - [ 0.0000428400000000, -0.0006012800000000, 0.0000195100000000 ] - [ -0.0008985300000000, -0.0000507500000000, -0.0002836000000000 ] - [ -0.0001886100000000, -0.0001622700000000, -0.0006250200000000 ] - [ -0.0016484600000000, -0.0002070000000000, 0.0007753600000000 ] - [ 0.0005666900000000, 0.0002045300000000, 0.0002670800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000680500000000, -0.0033040900000000, -0.0083728200000000 ] - [ -0.0000775300000000, -0.0001637200000000, 0.0016531700000000 ] - [ 0.0000772700000000, -0.0000239000000000, -0.0003389500000000 ] - [ -0.0000770500000000, -0.0000060600000000, 0.0003278600000000 ] - [ 0.0008698700000000, -0.0036153300000000, 0.0012251700000000 ] - [ -0.0008705100000000, -0.0027940700000000, 0.0012154300000000 ] - [ 0.0005202100000000, 0.0049060000000000, 0.0024530500000000 ] - [ 0.0005890700000000, -0.0001413300000000, 0.0029972900000000 ] - [ -0.0005256700000000, 0.0045542200000000, 0.0024476200000000 ] - [ -0.0005737400000000, -0.0001551100000000, -0.0052790800000000 ] - [ -0.0000531500000000, 0.0010296200000000, -0.0000729300000000 ] - [ 0.0000560700000000, 0.0018739200000000, -0.0000790600000000 ] - [ -0.0003460400000000, -0.0008258200000000, 0.0000982100000000 ] - [ 0.0005849400000000, 0.0001204800000000, 0.0007389100000000 ] - [ 0.0003450800000000, -0.0012204500000000, 0.0000931600000000 ] - [ -0.0005887200000000, 0.0003277300000000, -0.0008588300000000 ] - [ 0.0003256800000000, 0.0008461000000000, 0.0020838900000000 ] - [ 0.0005443300000000, 0.0021672100000000, -0.0055459700000000 ] - [ -0.0012106300000000, 0.0012784600000000, -0.0060273300000000 ] - [ -0.0021590400000000, -0.0014919900000000, 0.0016414000000000 ] - [ -0.0057740700000000, -0.0037773500000000, -0.0008143300000000 ] - [ -0.0051558900000000, 0.0008275800000000, 0.0021459900000000 ] - [ 0.0013851200000000, -0.0013370700000000, 0.0021093800000000 ] - [ -0.0050864200000000, -0.0003670700000000, 0.0045277300000000 ] - [ 0.0051269700000000, 0.0002160700000000, 0.0043752800000000 ] - [ 0.0003515400000000, -0.0000016800000000, 0.0025722800000000 ] - [ 0.0065549200000000, -0.0039555500000000, -0.0003686800000000 ] - [ 0.0051057400000000, 0.0002567500000000, 0.0020170100000000 ] - [ 0.0009119000000000, 0.0002043000000000, 0.0016323400000000 ] - [ -0.0016752900000000, 0.0000023400000000, -0.0021850000000000 ] - [ 0.0009930400000000, -0.0008470800000000, -0.0026664600000000 ] - [ 0.0000463500000000, 0.0006446800000000, 0.0007420700000000 ] - [ 0.0008904700000000, 0.0009256000000000, -0.0007405100000000 ] - [ 0.0003348600000000, -0.0002952600000000, -0.0002752800000000 ] - [ -0.0008039500000000, 0.0007927100000000, 0.0012098800000000 ] - [ 0.0002090600000000, -0.0006046800000000, 0.0004806300000000 ] - [ -0.0002032100000000, -0.0000233600000000, 0.0003131900000000 ] - [ -0.0002376500000000, -0.0006576400000000, 0.0021191100000000 ] - [ -0.0001299800000000, 0.0007729300000000, -0.0002848200000000 ] - [ -0.0003403700000000, -0.0008784000000000, -0.0004331200000000 ] - [ -0.0007120400000000, 0.0001590000000000, 0.0021030500000000 ] - [ 0.0014189800000000, 0.0006430400000000, -0.0011458600000000 ] - [ -0.0002238500000000, 0.0001965900000000, -0.0014464100000000 ] - [ -0.0022916800000000, 0.0010648200000000, 0.0020432800000000 ] - [ 0.0001107600000000, 0.0004750100000000, -0.0002756500000000 ] - [ 0.0011020300000000, 0.0006216200000000, 0.0023339200000000 ] - [ -0.0016833700000000, 0.0011764400000000, 0.0000608600000000 ] - [ 0.0006265000000000, -0.0009660600000000, 0.0011574000000000 ] - [ -0.0009643400000000, 0.0006721200000000, -0.0025245400000000 ] - [ -0.0006808100000000, 0.0008670600000000, -0.0004787400000000 ] - [ 0.0014061400000000, 0.0004512600000000, -0.0009388400000000 ] - [ 0.0001014400000000, 0.0013576200000000, 0.0028498600000000 ] - [ 0.0006668200000000, 0.0000543700000000, 0.0020014000000000 ] - [ -0.0003991600000000, -0.0000469600000000, -0.0003590200000000 ] - [ 0.0002263500000000, 0.0007004400000000, -0.0001521300000000 ] - [ -0.0002156800000000, -0.0003623500000000, -0.0016241000000000 ] - [ 0.0005585800000000, -0.0006853200000000, 0.0030346300000000 ] - [ 0.0000856700000000, -0.0007852700000000, -0.0003698500000000 ] - [ -0.0021372800000000, -0.0003981900000000, -0.0010623000000000 ] - [ 0.0004503300000000, 0.0010673500000000, -0.0011990400000000 ] - [ -0.0013429300000000, 0.0007051700000000, -0.0003526900000000 ] - [ -0.0004689200000000, 0.0011617000000000, -0.0010470500000000 ] - [ 0.0018103000000000, -0.0014943000000000, -0.0018062700000000 ] - [ -0.0005564700000000, -0.0003806500000000, -0.0006525800000000 ] - [ -0.0001719300000000, 0.0002934100000000, 0.0000464300000000 ] - [ -0.0003119600000000, -0.0012321500000000, -0.0015138000000000 ] - [ -0.0000763200000000, -0.0006691600000000, 0.0000206800000000 ] - [ -0.0017955800000000, -0.0014343600000000, -0.0016040100000000 ] - [ -0.0002454400000000, 0.0004651300000000, -0.0017853600000000 ] - [ -0.0001643400000000, 0.0008814600000000, 0.0001749400000000 ] - [ -0.0002975700000000, 0.0004341500000000, -0.0013792400000000 ] - [ 0.0015691700000000, 0.0004965300000000, -0.0010892400000000 ] - [ -0.0000362700000000, 0.0001405300000000, 0.0031346800000000 ] - [ 0.0003334200000000, -0.0006230900000000, 0.0008625000000000 ] - [ 0.0021488500000000, -0.0003553900000000, -0.0023835400000000 ] - [ 0.0009623000000000, 0.0007867800000000, -0.0026643300000000 ] - [ 0.0007728400000000, 0.0019211600000000, 0.0001227100000000 ] - [ 0.0004411300000000, 0.0013162800000000, 0.0024565700000000 ] - [ -0.0009508300000000, -0.0009212300000000, 0.0001401500000000 ] - [ 0.0009424000000000, -0.0010364100000000, -0.0004976700000000 ] - [ -0.0000092300000000, 0.0002044800000000, 0.0005907100000000 ] - [ 0.0007127400000000, 0.0001693400000000, -0.0005961200000000 ] - [ 0.0004781600000000, -0.0002736000000000, -0.0008998700000000 ] - [ -0.0002649000000000, -0.0002327300000000, 0.0006482700000000 ] - [ -0.0016961400000000, -0.0009166400000000, -0.0006842100000000 ] - [ -0.0009325600000000, -0.0006814900000000, 0.0009452800000000 ] - [ -0.0003060500000000, -0.0005945300000000, 0.0000658000000000 ] - [ 0.0008871300000000, -0.0003107800000000, 0.0012202700000000 ] - [ -0.0000166600000000, 0.0000494500000000, -0.0003750300000000 ] - [ -0.0000463300000000, -0.0002255000000000, 0.0002215900000000 ] - [ 0.0003094300000000, -0.0006098000000000, -0.0000981600000000 ] - [ 0.0001426000000000, 0.0000990500000000, 0.0016333100000000 ] - [ 0.0000067700000000, 0.0000893900000000, 0.0004515400000000 ] - [ -0.0002980600000000, 0.0001317300000000, -0.0006326800000000 ] - [ -0.0013536900000000, -0.0012333600000000, -0.0002358700000000 ] - [ -0.0002628800000000, 0.0004651700000000, -0.0008188400000000 ] - [ 0.0000038100000000, -0.0002630100000000, 0.0006607700000000 ] - [ 0.0009881800000000, 0.0007077300000000, -0.0000720800000000 ] - [ -0.0001043200000000, 0.0007940700000000, 0.0003831100000000 ] - [ -0.0001882600000000, -0.0000285700000000, -0.0005036600000000 ] - [ 0.0001668600000000, -0.0001326700000000, 0.0004032100000000 ] - [ 0.0006192000000000, 0.0001098300000000, -0.0002102900000000 ] - [ -0.0002425200000000, -0.0002939200000000, -0.0003598200000000 ] - [ -0.0006608900000000, -0.0002082400000000, -0.0009268000000000 ] - [ 0.0016251500000000, -0.0010910200000000, -0.0003593400000000 ] - [ -0.0002634600000000, -0.0003959700000000, -0.0007039400000000 ] - [ -0.0020797600000000, 0.0012716300000000, -0.0002901400000000 ] - [ 0.0001825100000000, -0.0003853400000000, 0.0003260700000000 ] - [ -0.0001397300000000, 0.0000399000000000, -0.0014125200000000 ] - [ 0.0014196500000000, -0.0010513500000000, 0.0000969200000000 ] - [ -0.0004028900000000, 0.0000038300000000, -0.0010055500000000 ] - [ 0.0000672000000000, -0.0003336200000000, -0.0003264100000000 ] - [ 0.0005251100000000, 0.0006027000000000, 0.0007721500000000 ] - [ 0.0000692500000000, 0.0000243600000000, 0.0009260300000000 ] - [ 0.0001649800000000, 0.0007023600000000, -0.0004199500000000 ] - [ 0.0000205500000000, 0.0001660300000000, -0.0005190700000000 ] - [ -0.0006251000000000, 0.0001245300000000, 0.0001749500000000 ] - [ 0.0004001600000000, 0.0000652900000000, 0.0012329100000000 ] - [ 0.0010513200000000, 0.0010136000000000, -0.0001690800000000 ] - [ 0.0000438400000000, 0.0004498400000000, -0.0002011400000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021369300000000, -0.0001379000000000, 0.0008695300000000 ] - [ -0.0022898900000000, 0.0001448800000000, 0.0008710400000000 ] - [ 0.0019118600000000, 0.0000642700000000, -0.0000523000000000 ] - [ 0.0017574100000000, -0.0000615700000000, -0.0000566500000000 ] - [ -0.1821191700000000, -0.0009995800000000, -0.0026218100000000 ] - [ -0.0010122800000000, 0.0004172500000000, -0.0000930400000000 ] - [ -0.0053809500000000, 0.0001950500000000, 0.0000136400000000 ] - [ 0.0038210000000000, 0.0004839800000000, -0.0019486100000000 ] - [ -0.0020105500000000, -0.0001915700000000, -0.0043258800000000 ] - [ 0.0026534900000000, -0.0004922500000000, -0.0019418700000000 ] - [ 0.0048254900000000, -0.0004182800000000, 0.0009697400000000 ] - [ 0.0023708300000000, 0.0004225300000000, 0.0020731900000000 ] - [ 0.0196837200000000, 0.0002116300000000, -0.0015786300000000 ] - [ -0.0052331700000000, -0.0007474200000000, 0.0069123600000000 ] - [ 0.0009301700000000, -0.0001971800000000, 0.0002209200000000 ] - [ -0.0064150600000000, 0.0007390500000000, 0.0069183800000000 ] - [ -0.0028863200000000, 0.0004354100000000, -0.0011777200000000 ] - [ -0.0035577100000000, 0.0004170700000000, -0.0006874800000000 ] - [ -0.0067740800000000, -0.0082210600000000, -0.0143977900000000 ] - [ -0.0005008600000000, 0.0004119000000000, 0.0001889600000000 ] - [ 0.0412699600000000, -0.0135596500000000, 0.0110980800000000 ] - [ 0.0001697900000000, 0.0003235300000000, 0.0001578800000000 ] - [ 0.0403810900000000, 0.0134614300000000, 0.0114275600000000 ] - [ -0.0004864400000000, -0.0088236000000000, -0.0049586200000000 ] - [ 0.0001653800000000, 0.0002634900000000, -0.0000072400000000 ] - [ -0.0060818800000000, 0.0073317500000000, -0.0138512100000000 ] - [ 0.0002556000000000, -0.0005652800000000, 0.0006554900000000 ] - [ -0.0004947200000000, 0.0082380400000000, -0.0051317200000000 ] - [ 0.0108348800000000, -0.0013064400000000, 0.0030895100000000 ] - [ 0.0101670500000000, 0.0021597300000000, 0.0036093500000000 ] - [ 0.0008873100000000, -0.0003610200000000, 0.0001011000000000 ] - [ 0.0006115600000000, 0.0008483400000000, -0.0037737100000000 ] - [ 0.0015025600000000, -0.0083062100000000, -0.0014612200000000 ] - [ 0.0001780900000000, 0.0015035400000000, 0.0003696700000000 ] - [ 0.0007426800000000, 0.0084731000000000, -0.0009990400000000 ] - [ 0.0274100400000000, -0.0288777400000000, -0.0018631200000000 ] - [ 0.0001872100000000, -0.0009268100000000, 0.0002038700000000 ] - [ 0.0015653100000000, -0.0004977700000000, 0.0005860700000000 ] - [ 0.0013803600000000, -0.0010059200000000, -0.0033223500000000 ] - [ 0.0275391900000000, 0.0285186900000000, -0.0019667500000000 ] - [ -0.0008686700000000, -0.0014973600000000, 0.0026777700000000 ] - [ 0.0002802900000000, 0.0000270000000000, -0.0000311400000000 ] - [ -0.0092325900000000, 0.0018735900000000, -0.0080489300000000 ] - [ -0.0009105400000000, 0.0004183800000000, -0.0003337200000000 ] - [ 0.0004245700000000, 0.0005934100000000, -0.0002275300000000 ] - [ -0.0104249600000000, -0.0023074200000000, -0.0077584400000000 ] - [ -0.0001971800000000, -0.0001970200000000, -0.0001538400000000 ] - [ 0.0025079500000000, -0.0012619200000000, -0.0001588000000000 ] - [ -0.0001408200000000, -0.0000661000000000, 0.0004922200000000 ] - [ -0.0058742600000000, -0.0098920400000000, 0.0021970600000000 ] - [ 0.0007302700000000, -0.0005200100000000, -0.0000421600000000 ] - [ 0.0198057600000000, 0.0017066900000000, -0.0138248700000000 ] - [ -0.0001480700000000, -0.0000512500000000, 0.0003467400000000 ] - [ 0.0062446900000000, -0.0070977100000000, 0.0013378900000000 ] - [ 0.0286732700000000, 0.0195098200000000, 0.0087930300000000 ] - [ 0.0009485600000000, 0.0001870800000000, -0.0000436200000000 ] - [ 0.0026452200000000, -0.0019053700000000, 0.0080775600000000 ] - [ 0.0010938900000000, 0.0003162200000000, 0.0014180600000000 ] - [ 0.0021009900000000, -0.0019096400000000, 0.0008908900000000 ] - [ -0.0001183100000000, -0.0001378300000000, -0.0005070700000000 ] - [ 0.0001179300000000, 0.0003368200000000, 0.0002188800000000 ] - [ 0.0129149500000000, 0.0100709800000000, 0.0018902000000000 ] - [ 0.0001395200000000, -0.0005155400000000, 0.0000337600000000 ] - [ 0.0015524200000000, 0.0009295700000000, -0.0004510500000000 ] - [ 0.0272641200000000, -0.0180215100000000, 0.0086057300000000 ] - [ 0.0021029900000000, 0.0010331400000000, 0.0081584800000000 ] - [ 0.0000617800000000, -0.0000592500000000, 0.0012951000000000 ] - [ 0.0004947200000000, -0.0005791500000000, 0.0007788000000000 ] - [ 0.0192795500000000, -0.0016697200000000, -0.0145933200000000 ] - [ 0.0004856300000000, -0.0004110000000000, 0.0000966500000000 ] - [ 0.0002883800000000, -0.0000381100000000, 0.0005270500000000 ] - [ -0.0055961000000000, 0.0096710700000000, 0.0014637600000000 ] - [ 0.0014751700000000, 0.0006781600000000, 0.0000673900000000 ] - [ 0.0072208300000000, 0.0074542800000000, 0.0010508500000000 ] - [ 0.0024504800000000, 0.0030006900000000, 0.0001457600000000 ] - [ -0.0008643000000000, 0.0016200600000000, 0.0025349100000000 ] - [ 0.0129045700000000, -0.0104397600000000, 0.0024678300000000 ] - [ 0.0008299500000000, 0.0000051900000000, 0.0001206900000000 ] - [ 0.0009607500000000, 0.0018372800000000, -0.0002553900000000 ] - [ 0.0019894900000000, -0.0020943800000000, -0.0003802300000000 ] - [ -0.0046025100000000, -0.0084580900000000, -0.0079008300000000 ] - [ -0.0007565800000000, -0.0013653700000000, 0.0045597500000000 ] - [ 0.0022359000000000, -0.0020717200000000, 0.0018897900000000 ] - [ -0.0019740200000000, 0.0018307800000000, 0.0042929300000000 ] - [ -0.0004857800000000, 0.0000515000000000, -0.0004106600000000 ] - [ 0.0010412800000000, 0.0016261600000000, 0.0021889100000000 ] - [ -0.0017140200000000, -0.0005645700000000, 0.0003508400000000 ] - [ -0.0036528500000000, 0.0019387800000000, 0.0000341000000000 ] - [ 0.0002983100000000, 0.0002451400000000, -0.0011407100000000 ] - [ -0.0026743300000000, -0.0121147200000000, 0.0053201900000000 ] - [ -0.0007752700000000, -0.0001555700000000, 0.0004582800000000 ] - [ -0.0006336900000000, -0.0000133300000000, 0.0000564400000000 ] - [ 0.0002975400000000, -0.0003596500000000, -0.0012835600000000 ] - [ -0.0014811300000000, 0.0005058200000000, 0.0002766900000000 ] - [ -0.0018416100000000, -0.0023040500000000, 0.0003193800000000 ] - [ -0.0047363100000000, 0.0015631700000000, 0.0003605300000000 ] - [ -0.0001019100000000, -0.0003858000000000, -0.0002738500000000 ] - [ 0.0002873800000000, -0.0000171500000000, -0.0000922700000000 ] - [ -0.0116505100000000, -0.0011940800000000, 0.0020373700000000 ] - [ -0.0001943800000000, -0.0006909100000000, 0.0002010500000000 ] - [ 0.0000381500000000, 0.0008980100000000, 0.0009327800000000 ] - [ -0.0019544500000000, -0.0016293400000000, -0.0002363000000000 ] - [ -0.0006877000000000, -0.0009021800000000, -0.0004914900000000 ] - [ -0.0046070800000000, -0.0022695800000000, -0.0002523400000000 ] - [ -0.0019032600000000, 0.0021229300000000, 0.0006419000000000 ] - [ -0.0006291700000000, -0.0004766400000000, -0.0001589000000000 ] - [ -0.0007400200000000, 0.0002730000000000, -0.0002176400000000 ] - [ -0.0003425500000000, -0.0001843400000000, 0.0002525300000000 ] - [ -0.0011765300000000, 0.0000475800000000, -0.0003476500000000 ] - [ -0.0004280900000000, 0.0001281300000000, -0.0000859900000000 ] - [ -0.0018778200000000, 0.0006011700000000, -0.0018968300000000 ] - [ -0.0024356000000000, 0.0118899700000000, 0.0045890700000000 ] - [ -0.0042071300000000, -0.0006977800000000, 0.0004545400000000 ] - [ -0.0005227300000000, -0.0001656500000000, -0.0000177600000000 ] - [ -0.0113187600000000, 0.0022609100000000, 0.0013052700000000 ] - [ -0.0046141600000000, 0.0085919400000000, -0.0080506300000000 ] - [ -0.0028845400000000, 0.0023445700000000, -0.0001257100000000 ] - [ -0.0013355000000000, -0.0006369000000000, -0.0023142500000000 ] - [ -0.0128652700000000, -0.0014700800000000, 0.0009373400000000 ] - [ -0.0118282900000000, 0.0012431800000000, 0.0008411800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005423000000000, 0.0019946100000000, -0.0031957000000000 ] - [ -0.0005423000000000, 0.0019946100000000, 0.0031957000000000 ] - [ 0.0003283900000000, 0.0000202500000000, 0.0014543800000000 ] - [ -0.0003283900000000, 0.0000202500000000, -0.0014543800000000 ] - [ 0.0000000000000000, -0.1752143500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027036300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0086509100000000, 0.0000000000000000 ] - [ -0.0005804300000000, 0.0012986500000000, 0.0029321900000000 ] - [ 0.0000000000000000, -0.0026323100000000, 0.0000000000000000 ] - [ 0.0005804300000000, 0.0012986500000000, -0.0029321900000000 ] - [ 0.0000000000000000, 0.0067895600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016375100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0182117900000000, 0.0000000000000000 ] - [ 0.0023258800000000, 0.0027254800000000, -0.0079812700000000 ] - [ 0.0000000000000000, 0.0017975300000000, 0.0000000000000000 ] - [ -0.0023258800000000, 0.0027254800000000, 0.0079812700000000 ] - [ -0.0003735800000000, 0.0061086700000000, -0.0008773600000000 ] - [ 0.0003735800000000, 0.0061086700000000, 0.0008773600000000 ] - [ -0.0030439100000000, -0.0067949000000000, 0.0059931200000000 ] - [ -0.0004692500000000, 0.0018656900000000, 0.0003011200000000 ] - [ -0.0334178600000000, -0.0016302500000000, -0.0077268000000000 ] - [ -0.0001537400000000, -0.0003995100000000, -0.0007456900000000 ] - [ 0.0334178600000000, -0.0016302500000000, 0.0077268000000000 ] - [ -0.0011107300000000, 0.0095440300000000, 0.0042850100000000 ] - [ 0.0001537400000000, -0.0003995100000000, 0.0007456900000000 ] - [ 0.0030439100000000, -0.0067949000000000, -0.0059931200000000 ] - [ 0.0004692500000000, 0.0018656900000000, -0.0003011200000000 ] - [ 0.0011107300000000, 0.0095440300000000, -0.0042850100000000 ] - [ 0.0063778300000000, -0.0065484400000000, 0.0018436000000000 ] - [ -0.0063778300000000, -0.0065484400000000, -0.0018436000000000 ] - [ -0.0000047500000000, 0.0032458500000000, -0.0002496800000000 ] - [ 0.0009152000000000, -0.0017024300000000, -0.0012746800000000 ] - [ -0.0013581000000000, 0.0114562300000000, 0.0009176800000000 ] - [ 0.0001642300000000, 0.0015937000000000, 0.0016708900000000 ] - [ 0.0013581000000000, 0.0114562300000000, -0.0009176800000000 ] - [ -0.0266787600000000, 0.0263113500000000, 0.0023144700000000 ] - [ -0.0001642300000000, 0.0015937000000000, -0.0016708900000000 ] - [ 0.0000047500000000, 0.0032458500000000, 0.0002496800000000 ] - [ -0.0009152000000000, -0.0017024300000000, 0.0012746800000000 ] - [ 0.0266787600000000, 0.0263113500000000, -0.0023144700000000 ] - [ -0.0013113600000000, -0.0018512900000000, 0.0022407400000000 ] - [ 0.0003908900000000, -0.0006412500000000, 0.0000854500000000 ] - [ -0.0100326500000000, 0.0040641600000000, -0.0087954600000000 ] - [ -0.0003908900000000, -0.0006412500000000, -0.0000854500000000 ] - [ -0.0002596500000000, -0.0007900600000000, 0.0001499900000000 ] - [ 0.0100326500000000, 0.0040641600000000, 0.0087954600000000 ] - [ -0.0008136700000000, -0.0013795200000000, 0.0002582500000000 ] - [ 0.0018166100000000, -0.0034160700000000, -0.0008185900000000 ] - [ 0.0000475800000000, 0.0000924800000000, -0.0012085300000000 ] - [ -0.0058020800000000, -0.0083767100000000, 0.0018755600000000 ] - [ 0.0008136700000000, -0.0013795200000000, -0.0002582500000000 ] - [ 0.0015753300000000, 0.0128359200000000, -0.0020285200000000 ] - [ -0.0000475800000000, 0.0000924800000000, 0.0012085300000000 ] - [ -0.0038251000000000, 0.0044558700000000, 0.0026410600000000 ] - [ 0.0200926500000000, 0.0339294400000000, 0.0083558500000000 ] - [ 0.0001872800000000, -0.0025424600000000, -0.0010022800000000 ] - [ -0.0006168200000000, 0.0021826900000000, -0.0019378000000000 ] - [ 0.0004747000000000, 0.0009472400000000, 0.0001910900000000 ] - [ 0.0007561800000000, -0.0037808800000000, 0.0007906700000000 ] - [ -0.0000186600000000, -0.0006946300000000, -0.0003452900000000 ] - [ 0.0000186600000000, -0.0006946300000000, 0.0003452900000000 ] - [ 0.0070282600000000, 0.0289502600000000, 0.0048499000000000 ] - [ 0.0002459200000000, 0.0002254600000000, -0.0004246600000000 ] - [ -0.0018166100000000, -0.0034160700000000, 0.0008185900000000 ] - [ -0.0200926500000000, 0.0339294400000000, -0.0083558500000000 ] - [ 0.0006168200000000, 0.0021826900000000, 0.0019378000000000 ] - [ -0.0004747000000000, 0.0009472400000000, -0.0001910900000000 ] - [ -0.0002459200000000, 0.0002254600000000, 0.0004246600000000 ] - [ -0.0015753300000000, 0.0128359200000000, 0.0020285200000000 ] - [ 0.0002596500000000, -0.0007900600000000, -0.0001499900000000 ] - [ -0.0002069300000000, -0.0015068000000000, 0.0010879200000000 ] - [ 0.0058020800000000, -0.0083767100000000, -0.0018755600000000 ] - [ -0.0001872800000000, -0.0025424600000000, 0.0010022800000000 ] - [ 0.0038251000000000, 0.0044558700000000, -0.0026410600000000 ] - [ -0.0007561800000000, -0.0037808800000000, -0.0007906700000000 ] - [ 0.0013113600000000, -0.0018512900000000, -0.0022407400000000 ] - [ -0.0070282600000000, 0.0289502600000000, -0.0048499000000000 ] - [ 0.0002069300000000, -0.0015068000000000, -0.0010879200000000 ] - [ -0.0016898700000000, -0.0042728800000000, 0.0005293200000000 ] - [ 0.0016898700000000, -0.0042728800000000, -0.0005293200000000 ] - [ -0.0039370200000000, -0.0080721600000000, -0.0067049300000000 ] - [ 0.0005346400000000, 0.0014076100000000, -0.0002948600000000 ] - [ 0.0018284500000000, -0.0028981200000000, 0.0017581000000000 ] - [ -0.0005346400000000, 0.0014076100000000, 0.0002948600000000 ] - [ -0.0000527000000000, 0.0006303800000000, -0.0003190900000000 ] - [ -0.0018284500000000, -0.0028981200000000, -0.0017581000000000 ] - [ 0.0003957400000000, 0.0006741700000000, -0.0003276300000000 ] - [ 0.0015813700000000, 0.0006788700000000, 0.0011102500000000 ] - [ 0.0002865200000000, -0.0006920900000000, 0.0023392300000000 ] - [ -0.0031740400000000, -0.0116442000000000, 0.0041750400000000 ] - [ -0.0003957400000000, 0.0006741700000000, 0.0003276300000000 ] - [ 0.0002146700000000, -0.0017545300000000, -0.0001363000000000 ] - [ -0.0002865200000000, -0.0006920900000000, -0.0023392300000000 ] - [ 0.0005857800000000, -0.0020292900000000, -0.0003403800000000 ] - [ -0.0018446800000000, -0.0042808400000000, 0.0003587600000000 ] - [ -0.0015286900000000, 0.0052656000000000, 0.0011982300000000 ] - [ 0.0004330100000000, -0.0018128100000000, 0.0002867500000000 ] - [ 0.0002108800000000, -0.0007224500000000, -0.0001413100000000 ] - [ -0.0119345800000000, 0.0014059400000000, 0.0031032500000000 ] - [ -0.0003767200000000, 0.0007367800000000, -0.0005147100000000 ] - [ 0.0003767200000000, 0.0007367800000000, 0.0005147100000000 ] - [ -0.0017438600000000, -0.0032889500000000, -0.0003074300000000 ] - [ -0.0006582700000000, -0.0012764300000000, -0.0005975700000000 ] - [ -0.0015813700000000, 0.0006788700000000, -0.0011102500000000 ] - [ 0.0018446800000000, -0.0042808400000000, -0.0003587600000000 ] - [ -0.0004330100000000, -0.0018128100000000, -0.0002867500000000 ] - [ -0.0002108800000000, -0.0007224500000000, 0.0001413100000000 ] - [ 0.0006582700000000, -0.0012764300000000, 0.0005975700000000 ] - [ -0.0002146700000000, -0.0017545300000000, 0.0001363000000000 ] - [ 0.0000527000000000, 0.0006303800000000, 0.0003190900000000 ] - [ -0.0011508800000000, 0.0018726800000000, -0.0017842000000000 ] - [ 0.0031740400000000, -0.0116442000000000, -0.0041750400000000 ] - [ 0.0015286900000000, 0.0052656000000000, -0.0011982300000000 ] - [ -0.0005857800000000, -0.0020292900000000, 0.0003403800000000 ] - [ 0.0119345800000000, 0.0014059400000000, -0.0031032500000000 ] - [ 0.0039370200000000, -0.0080721600000000, 0.0067049300000000 ] - [ 0.0017438600000000, -0.0032889500000000, 0.0003074300000000 ] - [ 0.0011508800000000, 0.0018726800000000, 0.0017842000000000 ] - [ 0.0096894800000000, 0.0071571100000000, -0.0019143500000000 ] - [ -0.0096894800000000, 0.0071571100000000, 0.0019143500000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003867200000000, -0.0019938400000000, 0.0032138300000000 ] - [ 0.0003867200000000, -0.0019938400000000, -0.0032138300000000 ] - [ -0.0001736800000000, -0.0000224100000000, -0.0014496300000000 ] - [ 0.0001736800000000, -0.0000224100000000, 0.0014496300000000 ] - [ 0.0000000000000000, 0.1737856600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018716200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0082685600000000, 0.0000000000000000 ] - [ 0.0017555000000000, -0.0012933600000000, -0.0029429500000000 ] - [ 0.0000000000000000, 0.0022541500000000, 0.0000000000000000 ] - [ -0.0017555000000000, -0.0012933600000000, 0.0029429500000000 ] - [ 0.0000000000000000, -0.0076263600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024850000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0186046900000000, 0.0000000000000000 ] - [ -0.0011520700000000, -0.0027394800000000, 0.0079564900000000 ] - [ 0.0000000000000000, -0.0021946800000000, 0.0000000000000000 ] - [ 0.0011520700000000, -0.0027394800000000, -0.0079564900000000 ] - [ 0.0010465400000000, -0.0052573900000000, 0.0003794400000000 ] - [ -0.0010465400000000, -0.0052573900000000, -0.0003794400000000 ] - [ 0.0023531600000000, 0.0058489800000000, -0.0065755100000000 ] - [ -0.0002907300000000, -0.0020146500000000, -0.0007699300000000 ] - [ 0.0342256000000000, 0.0017402800000000, 0.0073057700000000 ] - [ 0.0001575900000000, 0.0009967700000000, 0.0009113300000000 ] - [ -0.0342256000000000, 0.0017402800000000, -0.0073057700000000 ] - [ 0.0011479500000000, -0.0101204500000000, -0.0041100800000000 ] - [ -0.0001575900000000, 0.0009967700000000, -0.0009113300000000 ] - [ -0.0023531600000000, 0.0058489800000000, 0.0065755100000000 ] - [ 0.0002907300000000, -0.0020146500000000, 0.0007699300000000 ] - [ -0.0011479500000000, -0.0101204500000000, 0.0041100800000000 ] - [ -0.0057113700000000, 0.0074130200000000, -0.0023450200000000 ] - [ 0.0057113700000000, 0.0074130200000000, 0.0023450200000000 ] - [ -0.0006715200000000, -0.0041034600000000, -0.0002309800000000 ] - [ -0.0016855700000000, 0.0015349700000000, 0.0008316100000000 ] - [ 0.0021077700000000, -0.0112807300000000, -0.0013753300000000 ] - [ -0.0001724400000000, -0.0010246200000000, -0.0015019300000000 ] - [ -0.0021077700000000, -0.0112807300000000, 0.0013753300000000 ] - [ 0.0264717100000000, -0.0267366800000000, -0.0022105100000000 ] - [ 0.0001724400000000, -0.0010246200000000, 0.0015019300000000 ] - [ 0.0006715200000000, -0.0041034600000000, 0.0002309800000000 ] - [ 0.0016855700000000, 0.0015349700000000, -0.0008316100000000 ] - [ -0.0264717100000000, -0.0267366800000000, 0.0022105100000000 ] - [ 0.0013189500000000, 0.0019696400000000, -0.0021034100000000 ] - [ 0.0008002500000000, 0.0010859700000000, 0.0002184700000000 ] - [ 0.0112512700000000, -0.0045119600000000, 0.0085138600000000 ] - [ -0.0008002500000000, 0.0010859700000000, -0.0002184700000000 ] - [ 0.0002009100000000, 0.0009760000000000, -0.0004738000000000 ] - [ -0.0112512700000000, -0.0045119600000000, -0.0085138600000000 ] - [ -0.0001159600000000, 0.0006619800000000, -0.0003707600000000 ] - [ -0.0008625400000000, 0.0030841900000000, 0.0011061300000000 ] - [ -0.0000423100000000, -0.0002142500000000, 0.0013568100000000 ] - [ 0.0055344400000000, 0.0081353500000000, -0.0011366200000000 ] - [ 0.0001159600000000, 0.0006619800000000, 0.0003707600000000 ] - [ -0.0008910400000000, -0.0127896700000000, 0.0020358500000000 ] - [ 0.0000423100000000, -0.0002142500000000, -0.0013568100000000 ] - [ 0.0028382000000000, -0.0040608600000000, -0.0023539100000000 ] - [ -0.0182450000000000, -0.0325700800000000, -0.0081227700000000 ] - [ -0.0007146800000000, 0.0034115000000000, 0.0008956400000000 ] - [ 0.0011586300000000, -0.0030618700000000, 0.0018835800000000 ] - [ 0.0005587200000000, -0.0006879900000000, -0.0000699900000000 ] - [ -0.0010912600000000, 0.0048765000000000, -0.0000474600000000 ] - [ -0.0002166900000000, 0.0008881800000000, -0.0003793500000000 ] - [ 0.0002166900000000, 0.0008881800000000, 0.0003793500000000 ] - [ -0.0075024800000000, -0.0295564700000000, -0.0056021200000000 ] - [ -0.0006031500000000, -0.0013253600000000, -0.0003196700000000 ] - [ 0.0008625400000000, 0.0030841900000000, -0.0011061300000000 ] - [ 0.0182450000000000, -0.0325700800000000, 0.0081227700000000 ] - [ -0.0011586300000000, -0.0030618700000000, -0.0018835800000000 ] - [ -0.0005587200000000, -0.0006879900000000, 0.0000699900000000 ] - [ 0.0006031500000000, -0.0013253600000000, 0.0003196700000000 ] - [ 0.0008910400000000, -0.0127896700000000, -0.0020358500000000 ] - [ -0.0002009100000000, 0.0009760000000000, 0.0004738000000000 ] - [ -0.0003345900000000, 0.0014740400000000, -0.0006772200000000 ] - [ -0.0055344400000000, 0.0081353500000000, 0.0011366200000000 ] - [ 0.0007146800000000, 0.0034115000000000, -0.0008956400000000 ] - [ -0.0028382000000000, -0.0040608600000000, 0.0023539100000000 ] - [ 0.0010912600000000, 0.0048765000000000, 0.0000474600000000 ] - [ -0.0013189500000000, 0.0019696400000000, 0.0021034100000000 ] - [ 0.0075024800000000, -0.0295564700000000, 0.0056021200000000 ] - [ 0.0003345900000000, 0.0014740400000000, 0.0006772200000000 ] - [ 0.0006638600000000, 0.0040161200000000, -0.0004058300000000 ] - [ -0.0006638600000000, 0.0040161200000000, 0.0004058300000000 ] - [ 0.0039438200000000, 0.0082108100000000, 0.0068552900000000 ] - [ 0.0006835700000000, -0.0009351100000000, 0.0005491000000000 ] - [ -0.0006349100000000, 0.0024521400000000, -0.0020537900000000 ] - [ -0.0006835700000000, -0.0009351100000000, -0.0005491000000000 ] - [ -0.0000075000000000, -0.0004552100000000, -0.0000056300000000 ] - [ 0.0006349100000000, 0.0024521400000000, 0.0020537900000000 ] - [ -0.0013345600000000, -0.0013926000000000, 0.0002212100000000 ] - [ -0.0006251000000000, -0.0010190500000000, -0.0008200900000000 ] - [ -0.0002852400000000, 0.0005797600000000, -0.0021944800000000 ] - [ 0.0029234900000000, 0.0114234300000000, -0.0034498200000000 ] - [ 0.0013345600000000, -0.0013926000000000, -0.0002212100000000 ] - [ 0.0003277400000000, 0.0017880200000000, 0.0005368100000000 ] - [ 0.0002852400000000, 0.0005797600000000, 0.0021944800000000 ] - [ -0.0015441300000000, 0.0023669500000000, 0.0006361500000000 ] - [ 0.0019113400000000, 0.0040986100000000, -0.0006814100000000 ] - [ 0.0010022100000000, -0.0043989600000000, -0.0013019100000000 ] - [ 0.0000938900000000, 0.0009511000000000, -0.0004030700000000 ] - [ 0.0008170800000000, 0.0009780200000000, 0.0002671700000000 ] - [ 0.0115746500000000, -0.0003240300000000, -0.0023621900000000 ] - [ 0.0001444500000000, -0.0005219700000000, -0.0002205500000000 ] - [ -0.0001444500000000, -0.0005219700000000, 0.0002205500000000 ] - [ 0.0026681000000000, 0.0040025800000000, 0.0001965900000000 ] - [ 0.0003139900000000, 0.0001920800000000, -0.0001465700000000 ] - [ 0.0006251000000000, -0.0010190500000000, 0.0008200900000000 ] - [ -0.0019113400000000, 0.0040986100000000, 0.0006814100000000 ] - [ -0.0000938900000000, 0.0009511000000000, 0.0004030700000000 ] - [ -0.0008170800000000, 0.0009780200000000, -0.0002671700000000 ] - [ -0.0003139900000000, 0.0001920800000000, 0.0001465700000000 ] - [ -0.0003277400000000, 0.0017880200000000, -0.0005368100000000 ] - [ 0.0000075000000000, -0.0004552100000000, 0.0000056300000000 ] - [ 0.0006092400000000, -0.0019093800000000, 0.0021966800000000 ] - [ -0.0029234900000000, 0.0114234300000000, 0.0034498200000000 ] - [ -0.0010022100000000, -0.0043989600000000, 0.0013019100000000 ] - [ 0.0015441300000000, 0.0023669500000000, -0.0006361500000000 ] - [ -0.0115746500000000, -0.0003240300000000, 0.0023621900000000 ] - [ -0.0039438200000000, 0.0082108100000000, -0.0068552900000000 ] - [ -0.0026681000000000, 0.0040025800000000, -0.0001965900000000 ] - [ -0.0006092400000000, -0.0019093800000000, -0.0021966800000000 ] - [ -0.0107425700000000, -0.0074192500000000, 0.0020394900000000 ] - [ 0.0107425700000000, -0.0074192500000000, -0.0020394900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002863200000000, -0.0037491900000000, 0.0012165200000000 ] - [ 0.0001271100000000, 0.0037321300000000, 0.0012229900000000 ] - [ 0.0000605300000000, 0.0006801000000000, -0.0000800500000000 ] - [ -0.0000916900000000, -0.0006795100000000, -0.0000715100000000 ] - [ -0.0025644800000000, -0.0003436600000000, -0.1804089200000000 ] - [ 0.0000928900000000, 0.0004201400000000, 0.0015328300000000 ] - [ -0.0011394300000000, 0.0001969300000000, -0.0017908600000000 ] - [ 0.0004204000000000, 0.0020527400000000, -0.0002757100000000 ] - [ 0.0032485300000000, -0.0002023800000000, 0.0174082800000000 ] - [ -0.0007588400000000, -0.0020562500000000, -0.0002907000000000 ] - [ 0.0009698700000000, -0.0004189300000000, -0.0006211000000000 ] - [ -0.0020731200000000, 0.0004164100000000, 0.0042282200000000 ] - [ 0.0049059300000000, 0.0001978900000000, -0.0038046000000000 ] - [ 0.0057970900000000, -0.0089193200000000, 0.0011757900000000 ] - [ 0.0000138500000000, -0.0001936800000000, 0.0008522800000000 ] - [ 0.0046716800000000, 0.0089725200000000, 0.0011363200000000 ] - [ -0.0020120700000000, -0.0013329700000000, -0.0002950300000000 ] - [ -0.0026994300000000, 0.0021933000000000, 0.0001788300000000 ] - [ -0.0008919000000000, 0.0177523400000000, 0.0542302400000000 ] - [ -0.0000429000000000, -0.0002604500000000, 0.0010491100000000 ] - [ 0.0169666600000000, -0.0034195000000000, -0.0019682900000000 ] - [ -0.0001082300000000, -0.0004569000000000, 0.0035095300000000 ] - [ 0.0162647300000000, 0.0035737400000000, -0.0014560800000000 ] - [ -0.0005084200000000, -0.0030300000000000, -0.0058359100000000 ] - [ -0.0000843700000000, 0.0010259200000000, 0.0033480600000000 ] - [ -0.0000581000000000, -0.0185352300000000, 0.0542191300000000 ] - [ 0.0007189300000000, 0.0001004400000000, 0.0015079200000000 ] - [ -0.0005189500000000, 0.0024677000000000, -0.0060314100000000 ] - [ 0.0036579900000000, -0.0005243600000000, 0.0016349700000000 ] - [ 0.0029723500000000, 0.0013804800000000, 0.0020948300000000 ] - [ -0.0003323800000000, -0.0008845600000000, -0.0002142600000000 ] - [ -0.0024966300000000, -0.0033587500000000, 0.0128693100000000 ] - [ 0.0003627600000000, -0.0014189400000000, -0.0019991500000000 ] - [ -0.0007254100000000, -0.0007763600000000, 0.0053825200000000 ] - [ -0.0003956000000000, 0.0015516200000000, -0.0015246200000000 ] - [ 0.0056900300000000, -0.0062940300000000, -0.0055428000000000 ] - [ -0.0007253900000000, 0.0013743400000000, 0.0052225100000000 ] - [ 0.0003411000000000, 0.0000278000000000, 0.0002860000000000 ] - [ -0.0017678600000000, 0.0032334600000000, 0.0133538500000000 ] - [ 0.0056570000000000, 0.0056582900000000, -0.0056955000000000 ] - [ 0.0003349200000000, 0.0010584600000000, 0.0029348000000000 ] - [ 0.0005752800000000, 0.0001913600000000, -0.0003557800000000 ] - [ -0.0031213400000000, -0.0001903400000000, -0.0010828300000000 ] - [ -0.0006195500000000, 0.0002557800000000, -0.0006502900000000 ] - [ -0.0000649500000000, -0.0000846700000000, -0.0012093200000000 ] - [ -0.0042897500000000, -0.0002431800000000, -0.0007427700000000 ] - [ -0.0005900500000000, -0.0002168800000000, -0.0006393200000000 ] - [ 0.0015764000000000, -0.0032650700000000, 0.0001994900000000 ] - [ 0.0002811100000000, -0.0002819100000000, -0.0014958000000000 ] - [ -0.0034745100000000, -0.0055675300000000, 0.0014816500000000 ] - [ 0.0003388900000000, -0.0004984100000000, -0.0005284400000000 ] - [ -0.0160790600000000, -0.0038319400000000, 0.0385340400000000 ] - [ 0.0002842400000000, 0.0001707700000000, -0.0016314900000000 ] - [ -0.0076797800000000, 0.0131804500000000, -0.0078366100000000 ] - [ 0.0077142200000000, 0.0071650700000000, 0.0143823300000000 ] - [ 0.0002163000000000, 0.0005124300000000, 0.0006121400000000 ] - [ -0.0025210600000000, 0.0028737800000000, -0.0183656500000000 ] - [ -0.0008678700000000, -0.0003261600000000, -0.0055728000000000 ] - [ 0.0003443500000000, -0.0003259400000000, 0.0016301200000000 ] - [ -0.0000610300000000, 0.0007477800000000, -0.0014119900000000 ] - [ 0.0001698300000000, -0.0005406800000000, -0.0006806300000000 ] - [ 0.0024310600000000, 0.0066733300000000, 0.0152805600000000 ] - [ -0.0005978200000000, -0.0002909100000000, -0.0032681700000000 ] - [ 0.0006168100000000, 0.0029155500000000, -0.0001010400000000 ] - [ 0.0077965700000000, -0.0074864400000000, 0.0148622300000000 ] - [ -0.0030712400000000, -0.0037393300000000, -0.0182130000000000 ] - [ -0.0018810400000000, 0.0005730600000000, -0.0056955400000000 ] - [ -0.0002639800000000, -0.0007876800000000, -0.0025243500000000 ] - [ -0.0149818700000000, 0.0039437800000000, 0.0343021300000000 ] - [ -0.0000023700000000, 0.0002603200000000, -0.0008842200000000 ] - [ -0.0000015700000000, 0.0002580800000000, -0.0004384700000000 ] - [ -0.0032072100000000, 0.0053238100000000, 0.0007442700000000 ] - [ 0.0007445900000000, 0.0003508200000000, 0.0007329600000000 ] - [ -0.0067627700000000, -0.0129232400000000, -0.0081732800000000 ] - [ 0.0006888000000000, 0.0014086100000000, 0.0008828100000000 ] - [ 0.0003359300000000, -0.0009382600000000, 0.0027748300000000 ] - [ 0.0015301600000000, -0.0060009100000000, 0.0153720300000000 ] - [ 0.0005420700000000, -0.0002912100000000, -0.0008365500000000 ] - [ -0.0003671300000000, 0.0001668600000000, 0.0006461700000000 ] - [ 0.0006581000000000, -0.0004177000000000, 0.0005206800000000 ] - [ -0.0018802400000000, -0.0013382700000000, 0.0010596400000000 ] - [ 0.0089782300000000, 0.0063645200000000, -0.0153205600000000 ] - [ 0.0015613500000000, -0.0006616900000000, 0.0011758100000000 ] - [ 0.0078006600000000, -0.0059195500000000, -0.0156445900000000 ] - [ 0.0001438300000000, -0.0002130700000000, -0.0013504600000000 ] - [ 0.0003765600000000, 0.0002218800000000, 0.0014874100000000 ] - [ 0.0020785900000000, -0.0001311200000000, -0.0030373900000000 ] - [ -0.0003749800000000, 0.0007836700000000, -0.0000879900000000 ] - [ -0.0013583000000000, 0.0014508600000000, -0.0033853300000000 ] - [ -0.0006798800000000, -0.0049576200000000, 0.0039498500000000 ] - [ 0.0029986500000000, -0.0005875300000000, -0.0029257400000000 ] - [ 0.0000636900000000, 0.0000693900000000, 0.0004894500000000 ] - [ -0.0013681900000000, -0.0015760500000000, -0.0035237600000000 ] - [ -0.0003922600000000, -0.0003661000000000, 0.0001329600000000 ] - [ -0.0002401100000000, -0.0005077900000000, 0.0007939100000000 ] - [ -0.0011762900000000, 0.0008824900000000, 0.0008647100000000 ] - [ 0.0002277600000000, -0.0003930100000000, -0.0004018600000000 ] - [ 0.0003375400000000, 0.0000705000000000, -0.0003576300000000 ] - [ -0.0052683900000000, 0.0000391000000000, 0.0025429700000000 ] - [ 0.0002972100000000, 0.0036103800000000, -0.0039528200000000 ] - [ 0.0005358900000000, -0.0034223600000000, -0.0032294800000000 ] - [ 0.0000904500000000, 0.0000335400000000, 0.0003026800000000 ] - [ -0.0000109600000000, -0.0002240500000000, -0.0013666400000000 ] - [ -0.0013385900000000, -0.0011238100000000, -0.0003889900000000 ] - [ -0.0003001700000000, 0.0003230800000000, 0.0011141600000000 ] - [ -0.0002990700000000, -0.0004724000000000, -0.0002947800000000 ] - [ -0.0006919300000000, 0.0001865600000000, -0.0004827300000000 ] - [ 0.0003413300000000, -0.0008699000000000, -0.0006216800000000 ] - [ -0.0004776900000000, -0.0000340400000000, 0.0000760600000000 ] - [ 0.0002105900000000, 0.0003939900000000, -0.0010254100000000 ] - [ -0.0006342700000000, 0.0002740800000000, -0.0016617000000000 ] - [ -0.0004519700000000, 0.0047907300000000, 0.0032430600000000 ] - [ -0.0006471500000000, -0.0000211800000000, 0.0009940100000000 ] - [ 0.0005653500000000, 0.0007036700000000, -0.0001558400000000 ] - [ -0.0049534100000000, 0.0010611300000000, 0.0018125400000000 ] - [ -0.0018895600000000, 0.0014926100000000, 0.0008662900000000 ] - [ -0.0008411500000000, 0.0006890200000000, 0.0004147600000000 ] - [ -0.0000910700000000, -0.0003040300000000, -0.0020496800000000 ] - [ -0.0060743300000000, -0.0023213100000000, 0.0033772300000000 ] - [ -0.0050719800000000, 0.0020686000000000, 0.0032591100000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0027634200000000, -0.0000804000000000, 0.0005200200000000 ] - [ -0.0029154100000000, 0.0000678600000000, 0.0005258800000000 ] - [ 0.0014266800000000, 0.0004166400000000, -0.0003448700000000 ] - [ 0.0012724900000000, -0.0004186200000000, -0.0003465800000000 ] - [ -0.0053807100000000, -0.0004176100000000, -0.0011388600000000 ] - [ -0.0020104100000000, 0.0004163300000000, -0.0032488500000000 ] - [ -0.2059362000000000, 0.0000056200000000, 0.0106478200000000 ] - [ 0.0052889300000000, 0.0013133900000000, -0.0050796600000000 ] - [ -0.0008766200000000, -0.0001944600000000, -0.0002211200000000 ] - [ 0.0041152300000000, -0.0013047400000000, -0.0050637800000000 ] - [ 0.0196836800000000, -0.0004400800000000, 0.0049054700000000 ] - [ 0.0009304600000000, 0.0004204200000000, -0.0000138200000000 ] - [ 0.0052234100000000, 0.0001956100000000, 0.0000075900000000 ] - [ -0.0025172800000000, -0.0005058700000000, 0.0023048200000000 ] - [ 0.0011866600000000, -0.0001977700000000, -0.0003892700000000 ] - [ -0.0037025800000000, 0.0005187300000000, 0.0023079400000000 ] - [ -0.0094906500000000, -0.0019997400000000, -0.0100742800000000 ] - [ -0.0100742600000000, 0.0029376000000000, -0.0096363600000000 ] - [ -0.0014744300000000, -0.0003201100000000, -0.0006132400000000 ] - [ -0.0009032400000000, -0.0000886800000000, 0.0003866400000000 ] - [ -0.0001966300000000, 0.0099616800000000, 0.0018469300000000 ] - [ -0.0000022500000000, -0.0006772600000000, -0.0011542800000000 ] - [ -0.0009599700000000, -0.0098086700000000, 0.0023083900000000 ] - [ 0.0396744800000000, 0.0215329500000000, -0.0095530900000000 ] - [ -0.0000002300000000, 0.0012620200000000, -0.0013199500000000 ] - [ -0.0008018300000000, -0.0005315200000000, -0.0001283600000000 ] - [ -0.0001620400000000, -0.0000642300000000, 0.0008629300000000 ] - [ 0.0395116500000000, -0.0218379000000000, -0.0097048300000000 ] - [ 0.0039279600000000, 0.0007455300000000, 0.0008021200000000 ] - [ 0.0032486400000000, 0.0001149000000000, 0.0012896300000000 ] - [ 0.0041643600000000, 0.0009935500000000, 0.0017550200000000 ] - [ -0.0002399300000000, -0.0004910000000000, -0.0007469700000000 ] - [ 0.0266288800000000, 0.0257966500000000, -0.0235015700000000 ] - [ -0.0000719100000000, 0.0004348200000000, -0.0005290700000000 ] - [ 0.0260161300000000, -0.0258701200000000, -0.0230961100000000 ] - [ 0.0020950700000000, 0.0077115200000000, 0.0059768500000000 ] - [ -0.0000546000000000, 0.0001539000000000, -0.0006900300000000 ] - [ 0.0048421600000000, -0.0018456500000000, 0.0022076900000000 ] - [ 0.0005212600000000, 0.0003426400000000, -0.0002813200000000 ] - [ 0.0020864500000000, -0.0082982000000000, 0.0058187300000000 ] - [ -0.0066624500000000, 0.0058533500000000, 0.0097946400000000 ] - [ -0.0003152800000000, 0.0001172300000000, -0.0005150300000000 ] - [ -0.0011003000000000, 0.0014599500000000, -0.0023094200000000 ] - [ -0.0014996500000000, 0.0003251700000000, -0.0008290500000000 ] - [ 0.0003711300000000, 0.0001794300000000, 0.0003519200000000 ] - [ -0.0022930800000000, -0.0019046700000000, -0.0020067200000000 ] - [ 0.0001792700000000, -0.0001746300000000, 0.0002314900000000 ] - [ 0.0051450400000000, -0.0039504200000000, -0.0000221600000000 ] - [ 0.0001126600000000, -0.0006996800000000, 0.0019502500000000 ] - [ -0.0059152200000000, 0.0110338100000000, -0.0038852500000000 ] - [ 0.0010971600000000, -0.0005382900000000, 0.0003456300000000 ] - [ 0.0012340700000000, 0.0000177700000000, 0.0003375000000000 ] - [ 0.0001060000000000, 0.0005824600000000, 0.0018044300000000 ] - [ 0.0004156100000000, 0.0000282000000000, 0.0000443800000000 ] - [ 0.0017546800000000, 0.0018020900000000, -0.0007429900000000 ] - [ 0.0147806000000000, 0.0004397100000000, 0.0007094400000000 ] - [ 0.0006217800000000, -0.0005481900000000, 0.0001880900000000 ] - [ 0.0007280500000000, 0.0002562900000000, 0.0002388900000000 ] - [ 0.0289086700000000, -0.0237549200000000, 0.0049179900000000 ] - [ -0.0001203000000000, 0.0001171600000000, -0.0002158800000000 ] - [ 0.0001171200000000, 0.0000825200000000, 0.0005094900000000 ] - [ 0.0024239300000000, 0.0029800200000000, -0.0001309900000000 ] - [ 0.0002845100000000, -0.0002484000000000, -0.0001185000000000 ] - [ 0.0041753500000000, 0.0035687100000000, -0.0003254300000000 ] - [ 0.0016929900000000, -0.0019820900000000, -0.0004183000000000 ] - [ 0.0000951400000000, -0.0003161800000000, 0.0003009600000000 ] - [ -0.0003000300000000, -0.0000024100000000, 0.0001138800000000 ] - [ 0.0006342100000000, -0.0008415200000000, 0.0006263800000000 ] - [ 0.0006924500000000, 0.0000147000000000, -0.0000656400000000 ] - [ 0.0004406700000000, -0.0000059500000000, 0.0006750200000000 ] - [ 0.0002428800000000, -0.0004141600000000, 0.0026768800000000 ] - [ -0.0056401500000000, -0.0112115100000000, -0.0045981400000000 ] - [ 0.0153347300000000, 0.0004551200000000, 0.0004058600000000 ] - [ 0.0013712000000000, 0.0003027000000000, -0.0002497300000000 ] - [ 0.0308071400000000, 0.0267742300000000, 0.0043375700000000 ] - [ -0.0066606000000000, -0.0057540700000000, 0.0096581800000000 ] - [ 0.0014956100000000, -0.0022650900000000, -0.0000206700000000 ] - [ 0.0007685100000000, 0.0003647400000000, 0.0023278300000000 ] - [ 0.0276039800000000, 0.0176150600000000, 0.0069488800000000 ] - [ 0.0302728000000000, -0.0196787500000000, 0.0069236700000000 ] - [ 0.0000172500000000, 0.0016084900000000, -0.0025880600000000 ] - [ 0.0008697600000000, 0.0004089600000000, 0.0003889600000000 ] - [ 0.0028917800000000, -0.0003819300000000, 0.0109918800000000 ] - [ -0.0003237000000000, 0.0000351700000000, 0.0000864600000000 ] - [ -0.0004749500000000, -0.0003689300000000, 0.0000700200000000 ] - [ 0.0016562200000000, -0.0000820900000000, 0.0112529100000000 ] - [ -0.0007261700000000, -0.0004962600000000, 0.0000577500000000 ] - [ -0.0019326100000000, 0.0016246900000000, 0.0003890000000000 ] - [ 0.0001467500000000, 0.0000324400000000, -0.0000875300000000 ] - [ -0.0028945500000000, 0.0139966400000000, 0.0008683000000000 ] - [ 0.0002046000000000, -0.0002231300000000, 0.0001690600000000 ] - [ -0.0036738300000000, -0.0000996300000000, -0.0012548400000000 ] - [ 0.0001475900000000, -0.0001510100000000, -0.0002294100000000 ] - [ -0.0032324400000000, 0.0020388400000000, 0.0007537100000000 ] - [ -0.0133444200000000, -0.0017905100000000, 0.0008877600000000 ] - [ -0.0015092600000000, 0.0005699000000000, -0.0001569000000000 ] - [ -0.0006927400000000, -0.0002581300000000, -0.0005906900000000 ] - [ 0.0002355000000000, 0.0000050400000000, 0.0000110100000000 ] - [ -0.0030706600000000, 0.0026343000000000, -0.0002292000000000 ] - [ -0.0001534900000000, 0.0002285200000000, -0.0000839500000000 ] - [ 0.0000792700000000, -0.0000322700000000, 0.0006418300000000 ] - [ -0.0106735600000000, 0.0022161800000000, 0.0018414600000000 ] - [ -0.0004026000000000, -0.0006111400000000, -0.0001169000000000 ] - [ -0.0028930200000000, -0.0019670500000000, 0.0000960500000000 ] - [ -0.0134148500000000, 0.0015838700000000, 0.0012162000000000 ] - [ -0.0012192400000000, -0.0006016900000000, -0.0004662500000000 ] - [ -0.0007877800000000, 0.0002497600000000, -0.0001158900000000 ] - [ -0.0000609400000000, -0.0004758100000000, 0.0006263300000000 ] - [ -0.0042081000000000, 0.0001357500000000, -0.0016388400000000 ] - [ -0.0004140800000000, 0.0005476800000000, 0.0003944900000000 ] - [ -0.0008562600000000, -0.0000863200000000, -0.0000398900000000 ] - [ -0.0026483400000000, -0.0141929400000000, 0.0001528400000000 ] - [ -0.0009818700000000, 0.0002930200000000, -0.0000435500000000 ] - [ -0.0022747900000000, -0.0017050000000000, 0.0004522000000000 ] - [ -0.0027249700000000, -0.0015441900000000, -0.0009727100000000 ] - [ 0.0000170800000000, -0.0014920600000000, -0.0027267700000000 ] - [ -0.0116402700000000, -0.0014748300000000, 0.0019606000000000 ] - [ -0.0003134900000000, 0.0000505900000000, -0.0004467400000000 ] - [ -0.0022306200000000, -0.0025394000000000, 0.0005189100000000 ] - [ -0.0012030800000000, 0.0022852600000000, 0.0003968200000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001903000000000, 0.0012361400000000, 0.0047429200000000 ] - [ -0.0001903000000000, 0.0012361400000000, -0.0047429200000000 ] - [ 0.0003665400000000, 0.0008625200000000, -0.0010230300000000 ] - [ -0.0003665400000000, 0.0008625200000000, 0.0010230300000000 ] - [ 0.0000000000000000, 0.0080473800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020262200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.2090662400000000, 0.0000000000000000 ] - [ 0.0038403000000000, -0.0004690600000000, -0.0054606700000000 ] - [ 0.0000000000000000, 0.0018769400000000, 0.0000000000000000 ] - [ -0.0038403000000000, -0.0004690600000000, 0.0054606700000000 ] - [ 0.0000000000000000, -0.0188425200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024165100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0074275700000000, 0.0000000000000000 ] - [ 0.0010967900000000, 0.0040380700000000, 0.0034960400000000 ] - [ 0.0000000000000000, -0.0021347500000000, 0.0000000000000000 ] - [ -0.0010967900000000, 0.0040380700000000, -0.0034960400000000 ] - [ 0.0032911600000000, -0.0045007200000000, 0.0153063600000000 ] - [ -0.0032911600000000, -0.0045007200000000, -0.0153063600000000 ] - [ 0.0002694900000000, 0.0041516300000000, 0.0001412400000000 ] - [ 0.0003691300000000, -0.0024652500000000, -0.0011610800000000 ] - [ 0.0008846800000000, 0.0108767600000000, 0.0015326200000000 ] - [ -0.0003391300000000, 0.0009461800000000, 0.0015979600000000 ] - [ -0.0008846800000000, 0.0108767600000000, -0.0015326200000000 ] - [ 0.0341252100000000, 0.0102524100000000, -0.0094266600000000 ] - [ 0.0003391300000000, 0.0009461800000000, -0.0015979600000000 ] - [ -0.0002694900000000, 0.0041516300000000, -0.0001412400000000 ] - [ -0.0003691300000000, -0.0024652500000000, 0.0011610800000000 ] - [ -0.0341252100000000, 0.0102524100000000, 0.0094266600000000 ] - [ -0.0009685700000000, 0.0048969500000000, -0.0013567700000000 ] - [ 0.0009685700000000, 0.0048969500000000, 0.0013567700000000 ] - [ -0.0009435600000000, -0.0056840200000000, -0.0004059200000000 ] - [ -0.0008120700000000, 0.0024123000000000, 0.0000720200000000 ] - [ 0.0252814800000000, 0.0188806600000000, -0.0223617700000000 ] - [ -0.0007279900000000, 0.0005152600000000, -0.0008886900000000 ] - [ -0.0252814800000000, 0.0188806600000000, 0.0223617700000000 ] - [ 0.0023937000000000, 0.0101977900000000, 0.0041543400000000 ] - [ 0.0007279900000000, 0.0005152600000000, 0.0008886900000000 ] - [ 0.0009435600000000, -0.0056840200000000, 0.0004059200000000 ] - [ 0.0008120700000000, 0.0024123000000000, -0.0000720200000000 ] - [ -0.0023937000000000, 0.0101977900000000, -0.0041543400000000 ] - [ 0.0070839200000000, -0.0046313900000000, -0.0088565700000000 ] - [ 0.0006669000000000, 0.0013797000000000, 0.0004066500000000 ] - [ 0.0020907400000000, -0.0025433200000000, 0.0019404400000000 ] - [ -0.0006669000000000, 0.0013797000000000, -0.0004066500000000 ] - [ -0.0004995200000000, 0.0002326700000000, -0.0004093400000000 ] - [ -0.0020907400000000, -0.0025433200000000, -0.0019404400000000 ] - [ 0.0004206600000000, 0.0010514100000000, -0.0004750000000000 ] - [ 0.0009454700000000, 0.0011819400000000, 0.0029686700000000 ] - [ -0.0001125200000000, -0.0003336500000000, 0.0022003800000000 ] - [ 0.0049814000000000, -0.0107719000000000, 0.0033985400000000 ] - [ -0.0004206600000000, 0.0010514100000000, 0.0004750000000000 ] - [ 0.0002344700000000, -0.0021167400000000, -0.0005458300000000 ] - [ 0.0001125200000000, -0.0003336500000000, -0.0022003800000000 ] - [ 0.0007983800000000, -0.0028746700000000, -0.0002766300000000 ] - [ -0.0014061100000000, -0.0045155000000000, 0.0002666100000000 ] - [ -0.0008207200000000, 0.0161819200000000, -0.0019371000000000 ] - [ 0.0004412400000000, -0.0021312100000000, 0.0001353100000000 ] - [ 0.0001976300000000, -0.0008684800000000, -0.0001083500000000 ] - [ -0.0258652500000000, 0.0442082700000000, -0.0046982400000000 ] - [ -0.0002223200000000, 0.0012391400000000, -0.0006269600000000 ] - [ 0.0002223200000000, 0.0012391400000000, 0.0006269600000000 ] - [ -0.0000722500000000, -0.0038507000000000, 0.0000560900000000 ] - [ -0.0003050700000000, -0.0011301500000000, -0.0004504000000000 ] - [ -0.0009454700000000, 0.0011819400000000, -0.0029686700000000 ] - [ 0.0014061100000000, -0.0045155000000000, -0.0002666100000000 ] - [ -0.0004412400000000, -0.0021312100000000, -0.0001353100000000 ] - [ -0.0001976300000000, -0.0008684800000000, 0.0001083500000000 ] - [ 0.0003050700000000, -0.0011301500000000, 0.0004504000000000 ] - [ -0.0002344700000000, -0.0021167400000000, 0.0005458300000000 ] - [ 0.0004995200000000, 0.0002326700000000, 0.0004093400000000 ] - [ -0.0009317100000000, 0.0017972200000000, -0.0027567000000000 ] - [ -0.0049814000000000, -0.0107719000000000, -0.0033985400000000 ] - [ 0.0008207200000000, 0.0161819200000000, 0.0019371000000000 ] - [ -0.0007983800000000, -0.0028746700000000, 0.0002766300000000 ] - [ 0.0258652500000000, 0.0442082700000000, 0.0046982400000000 ] - [ -0.0070839200000000, -0.0046313900000000, 0.0088565700000000 ] - [ 0.0000722500000000, -0.0038507000000000, -0.0000560900000000 ] - [ 0.0009317100000000, 0.0017972200000000, 0.0027567000000000 ] - [ 0.0171560500000000, 0.0301618900000000, 0.0073892800000000 ] - [ -0.0171560500000000, 0.0301618900000000, -0.0073892800000000 ] - [ 0.0005439500000000, -0.0026116900000000, 0.0014907900000000 ] - [ 0.0004012300000000, -0.0007994400000000, 0.0002599000000000 ] - [ -0.0007503800000000, 0.0010881500000000, -0.0105913800000000 ] - [ -0.0004012300000000, -0.0007994400000000, -0.0002599000000000 ] - [ -0.0002669100000000, -0.0005848900000000, 0.0001102400000000 ] - [ 0.0007503800000000, 0.0010881500000000, 0.0105913800000000 ] - [ -0.0010177500000000, -0.0013854200000000, 0.0001530700000000 ] - [ 0.0015242000000000, -0.0023392100000000, -0.0007958700000000 ] - [ -0.0004034900000000, -0.0003188900000000, -0.0011535500000000 ] - [ 0.0025881300000000, -0.0106221500000000, 0.0008323800000000 ] - [ 0.0010177500000000, -0.0013854200000000, -0.0001530700000000 ] - [ 0.0006083200000000, 0.0035463900000000, 0.0007166200000000 ] - [ 0.0004034900000000, -0.0003188900000000, 0.0011535500000000 ] - [ -0.0023872300000000, 0.0033769700000000, 0.0010709100000000 ] - [ 0.0120895700000000, 0.0082399200000000, -0.0029285100000000 ] - [ 0.0001646700000000, -0.0019712300000000, -0.0006152800000000 ] - [ -0.0000742700000000, 0.0011842200000000, -0.0003802200000000 ] - [ 0.0007056200000000, 0.0010872400000000, 0.0003700100000000 ] - [ 0.0023687700000000, -0.0032790400000000, 0.0005822000000000 ] - [ 0.0001072900000000, -0.0012501700000000, -0.0001803600000000 ] - [ -0.0001072900000000, -0.0012501700000000, 0.0001803600000000 ] - [ 0.0119522600000000, 0.0004203300000000, -0.0032305800000000 ] - [ 0.0003287900000000, -0.0001174600000000, -0.0003379700000000 ] - [ -0.0015242000000000, -0.0023392100000000, 0.0007958700000000 ] - [ -0.0120895700000000, 0.0082399200000000, 0.0029285100000000 ] - [ 0.0000742700000000, 0.0011842200000000, 0.0003802200000000 ] - [ -0.0007056200000000, 0.0010872400000000, -0.0003700100000000 ] - [ -0.0003287900000000, -0.0001174600000000, 0.0003379700000000 ] - [ -0.0006083200000000, 0.0035463900000000, -0.0007166200000000 ] - [ 0.0002669100000000, -0.0005848900000000, -0.0001102400000000 ] - [ -0.0001222900000000, -0.0012737400000000, 0.0012110500000000 ] - [ -0.0025881300000000, -0.0106221500000000, -0.0008323800000000 ] - [ -0.0001646700000000, -0.0019712300000000, 0.0006152800000000 ] - [ 0.0023872300000000, 0.0033769700000000, -0.0010709100000000 ] - [ -0.0023687700000000, -0.0032790400000000, -0.0005822000000000 ] - [ -0.0005439500000000, -0.0026116900000000, -0.0014907900000000 ] - [ -0.0119522600000000, 0.0004203300000000, 0.0032305800000000 ] - [ 0.0001222900000000, -0.0012737400000000, -0.0012110500000000 ] - [ -0.0020925600000000, -0.0040533100000000, 0.0007348100000000 ] - [ 0.0020925600000000, -0.0040533100000000, -0.0007348100000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000342600000000, -0.0012372400000000, -0.0047167800000000 ] - [ 0.0000342600000000, -0.0012372400000000, 0.0047167800000000 ] - [ -0.0002117200000000, -0.0008603300000000, 0.0010240200000000 ] - [ 0.0002117200000000, -0.0008603300000000, -0.0010240200000000 ] - [ 0.0000000000000000, -0.0088721200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028603600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.2085630900000000, 0.0000000000000000 ] - [ -0.0026602500000000, 0.0004643200000000, 0.0054457600000000 ] - [ 0.0000000000000000, -0.0022653200000000, 0.0000000000000000 ] - [ 0.0026602500000000, 0.0004643200000000, -0.0054457600000000 ] - [ 0.0000000000000000, 0.0179742600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015758600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0070322800000000, 0.0000000000000000 ] - [ 0.0000761600000000, -0.0040314700000000, -0.0035061900000000 ] - [ 0.0000000000000000, 0.0017428100000000, 0.0000000000000000 ] - [ -0.0000761600000000, -0.0040314700000000, 0.0035061900000000 ] - [ -0.0026480400000000, 0.0055354400000000, -0.0157687100000000 ] - [ 0.0026480400000000, 0.0055354400000000, 0.0157687100000000 ] - [ -0.0009460600000000, -0.0049995900000000, -0.0006218400000000 ] - [ -0.0011177700000000, 0.0023019000000000, 0.0006950400000000 ] - [ -0.0000992200000000, -0.0107301300000000, -0.0019904900000000 ] - [ 0.0003312600000000, -0.0003677400000000, -0.0014302600000000 ] - [ 0.0000992200000000, -0.0107301300000000, 0.0019904900000000 ] - [ -0.0339910000000000, -0.0107469700000000, 0.0095961900000000 ] - [ -0.0003312600000000, -0.0003677400000000, 0.0014302600000000 ] - [ 0.0009460600000000, -0.0049995900000000, 0.0006218400000000 ] - [ 0.0011177700000000, 0.0023019000000000, -0.0006950400000000 ] - [ 0.0339910000000000, -0.0107469700000000, -0.0095961900000000 ] - [ 0.0016430600000000, -0.0040373400000000, 0.0008668500000000 ] - [ -0.0016430600000000, -0.0040373400000000, -0.0008668500000000 ] - [ 0.0002601300000000, 0.0048232700000000, -0.0000735400000000 ] - [ 0.0000537300000000, -0.0025560900000000, -0.0005395200000000 ] - [ -0.0246956000000000, -0.0188120300000000, 0.0219382700000000 ] - [ 0.0007155300000000, 0.0000799100000000, 0.0010519900000000 ] - [ 0.0246956000000000, -0.0188120300000000, -0.0219382700000000 ] - [ -0.0023945900000000, -0.0107780200000000, -0.0039907400000000 ] - [ -0.0007155300000000, 0.0000799100000000, -0.0010519900000000 ] - [ -0.0002601300000000, 0.0048232700000000, 0.0000735400000000 ] - [ -0.0000537300000000, -0.0025560900000000, 0.0005395200000000 ] - [ 0.0023945900000000, -0.0107780200000000, 0.0039907400000000 ] - [ -0.0070684000000000, 0.0047391700000000, 0.0089910400000000 ] - [ 0.0005195100000000, -0.0009326500000000, -0.0001046100000000 ] - [ -0.0008940400000000, 0.0020986900000000, -0.0022389700000000 ] - [ -0.0005195100000000, -0.0009326500000000, 0.0001046100000000 ] - [ 0.0004303900000000, -0.0000619000000000, 0.0000876800000000 ] - [ 0.0008940400000000, 0.0020986900000000, 0.0022389700000000 ] - [ -0.0013413100000000, -0.0017614200000000, 0.0003616400000000 ] - [ 0.0000262100000000, -0.0015739500000000, -0.0026845100000000 ] - [ 0.0001151500000000, 0.0002189500000000, -0.0020543000000000 ] - [ -0.0052455400000000, 0.0106043600000000, -0.0026888000000000 ] - [ 0.0013413100000000, -0.0017614200000000, -0.0003616400000000 ] - [ 0.0003077700000000, 0.0021457300000000, 0.0009455900000000 ] - [ -0.0001151500000000, 0.0002189500000000, 0.0020543000000000 ] - [ -0.0017537600000000, 0.0032058500000000, 0.0005719000000000 ] - [ 0.0014634200000000, 0.0043304800000000, -0.0005909200000000 ] - [ 0.0002713700000000, -0.0153237600000000, 0.0022186900000000 ] - [ 0.0000862100000000, 0.0012639800000000, -0.0002500000000000 ] - [ 0.0008289400000000, 0.0011208800000000, 0.0002338400000000 ] - [ 0.0233669300000000, -0.0412943500000000, 0.0052567600000000 ] - [ -0.0000127200000000, -0.0010324000000000, -0.0001023000000000 ] - [ 0.0000127200000000, -0.0010324000000000, 0.0001023000000000 ] - [ 0.0010132500000000, 0.0045592200000000, -0.0001643200000000 ] - [ -0.0000411200000000, 0.0000416700000000, -0.0002937200000000 ] - [ -0.0000262100000000, -0.0015739500000000, 0.0026845100000000 ] - [ -0.0014634200000000, 0.0043304800000000, 0.0005909200000000 ] - [ -0.0000862100000000, 0.0012639800000000, 0.0002500000000000 ] - [ -0.0008289400000000, 0.0011208800000000, -0.0002338400000000 ] - [ 0.0000411200000000, 0.0000416700000000, 0.0002937200000000 ] - [ -0.0003077700000000, 0.0021457300000000, -0.0009455900000000 ] - [ -0.0004303900000000, -0.0000619000000000, -0.0000876800000000 ] - [ 0.0004026400000000, -0.0018502200000000, 0.0030978100000000 ] - [ 0.0052455400000000, 0.0106043600000000, 0.0026888000000000 ] - [ -0.0002713700000000, -0.0153237600000000, -0.0022186900000000 ] - [ 0.0017537600000000, 0.0032058500000000, -0.0005719000000000 ] - [ -0.0233669300000000, -0.0412943500000000, -0.0052567600000000 ] - [ 0.0070684000000000, 0.0047391700000000, -0.0089910400000000 ] - [ -0.0010132500000000, 0.0045592200000000, 0.0001643200000000 ] - [ -0.0004026400000000, -0.0018502200000000, -0.0030978100000000 ] - [ -0.0199458600000000, -0.0318516900000000, -0.0073556500000000 ] - [ 0.0199458600000000, -0.0318516900000000, 0.0073556500000000 ] - [ -0.0005484900000000, 0.0027273600000000, -0.0013511900000000 ] - [ 0.0007885000000000, 0.0012414600000000, 0.0000439700000000 ] - [ 0.0019787500000000, -0.0015667600000000, 0.0103223200000000 ] - [ -0.0007885000000000, 0.0012414600000000, -0.0000439700000000 ] - [ 0.0002053400000000, 0.0007647500000000, -0.0004345900000000 ] - [ -0.0019787500000000, -0.0015667600000000, -0.0103223200000000 ] - [ 0.0000882700000000, 0.0006650200000000, -0.0002646800000000 ] - [ -0.0005651500000000, 0.0020002600000000, 0.0010878500000000 ] - [ 0.0004051400000000, 0.0001977700000000, 0.0012984300000000 ] - [ -0.0028370900000000, 0.0103951200000000, -0.0001174500000000 ] - [ -0.0000882700000000, 0.0006650200000000, 0.0002646800000000 ] - [ -0.0000647900000000, -0.0035092700000000, -0.0003180400000000 ] - [ -0.0004051400000000, 0.0001977700000000, -0.0012984300000000 ] - [ 0.0014254600000000, -0.0030331800000000, -0.0007741300000000 ] - [ -0.0119928700000000, -0.0084153200000000, 0.0025969700000000 ] - [ -0.0006911900000000, 0.0028336700000000, 0.0005033400000000 ] - [ 0.0006015200000000, -0.0020469800000000, 0.0002647200000000 ] - [ 0.0003199900000000, -0.0008303200000000, -0.0002441900000000 ] - [ -0.0027166200000000, 0.0043667000000000, 0.0001623400000000 ] - [ -0.0003404200000000, 0.0014423000000000, -0.0005450100000000 ] - [ 0.0003404200000000, 0.0014423000000000, 0.0005450100000000 ] - [ -0.0110036800000000, 0.0003114300000000, 0.0031116400000000 ] - [ -0.0006741600000000, -0.0009730000000000, -0.0004061400000000 ] - [ 0.0005651500000000, 0.0020002600000000, -0.0010878500000000 ] - [ 0.0119928700000000, -0.0084153200000000, -0.0025969700000000 ] - [ -0.0006015200000000, -0.0020469800000000, -0.0002647200000000 ] - [ -0.0003199900000000, -0.0008303200000000, 0.0002441900000000 ] - [ 0.0006741600000000, -0.0009730000000000, 0.0004061400000000 ] - [ 0.0000647900000000, -0.0035092700000000, 0.0003180400000000 ] - [ -0.0002053400000000, 0.0007647500000000, 0.0004345900000000 ] - [ -0.0004195000000000, 0.0012380400000000, -0.0008033800000000 ] - [ 0.0028370900000000, 0.0103951200000000, 0.0001174500000000 ] - [ 0.0006911900000000, 0.0028336700000000, -0.0005033400000000 ] - [ -0.0014254600000000, -0.0030331800000000, 0.0007741300000000 ] - [ 0.0027166200000000, 0.0043667000000000, -0.0001623400000000 ] - [ 0.0005484900000000, 0.0027273600000000, 0.0013511900000000 ] - [ 0.0110036800000000, 0.0003114300000000, -0.0031116400000000 ] - [ 0.0004195000000000, 0.0012380400000000, 0.0008033800000000 ] - [ 0.0010602900000000, 0.0037989700000000, -0.0006115400000000 ] - [ -0.0010602900000000, 0.0037989700000000, 0.0006115400000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004984400000000, 0.0054558800000000, 0.0024522000000000 ] - [ 0.0003427100000000, -0.0054226100000000, 0.0024479400000000 ] - [ -0.0002904200000000, -0.0005766600000000, 0.0000918500000000 ] - [ -0.0004440300000000, 0.0005751200000000, 0.0000978900000000 ] - [ 0.0000133400000000, -0.0004230400000000, -0.0017912200000000 ] - [ 0.0043251200000000, 0.0004181100000000, 0.0174082500000000 ] - [ 0.0106639100000000, 0.0005698700000000, -0.1903645900000000 ] - [ -0.0003018900000000, -0.0015947600000000, 0.0002298000000000 ] - [ 0.0002206200000000, -0.0001941500000000, 0.0020666900000000 ] - [ -0.0014746700000000, 0.0015983000000000, 0.0002057500000000 ] - [ -0.0015790300000000, -0.0004110700000000, -0.0038053000000000 ] - [ -0.0002206000000000, 0.0004190500000000, 0.0008516800000000 ] - [ 0.0000075200000000, 0.0001931100000000, -0.0007911500000000 ] - [ 0.0062597700000000, 0.0072970900000000, 0.0006155700000000 ] - [ 0.0003895900000000, -0.0001959800000000, 0.0026812700000000 ] - [ 0.0051193500000000, -0.0073397200000000, 0.0006025000000000 ] - [ -0.0175589100000000, 0.0399768800000000, 0.0376394600000000 ] - [ -0.0183513900000000, -0.0392841100000000, 0.0385658200000000 ] - [ -0.0018495400000000, -0.0015594500000000, -0.0005182400000000 ] - [ 0.0008738700000000, -0.0008591000000000, 0.0044916000000000 ] - [ 0.0011249200000000, 0.0003149600000000, -0.0014533400000000 ] - [ -0.0001070600000000, 0.0003222600000000, 0.0031511400000000 ] - [ 0.0003600400000000, -0.0002007300000000, -0.0009764300000000 ] - [ -0.0018138400000000, -0.0028626700000000, -0.0049568100000000 ] - [ -0.0000962900000000, 0.0002660800000000, 0.0029924000000000 ] - [ -0.0011671000000000, 0.0006975300000000, -0.0000156100000000 ] - [ 0.0016484300000000, 0.0007142600000000, 0.0049583600000000 ] - [ -0.0017384700000000, 0.0022190000000000, -0.0051836600000000 ] - [ 0.0003372500000000, -0.0000252900000000, -0.0000800200000000 ] - [ -0.0003428400000000, 0.0008762800000000, 0.0003929400000000 ] - [ 0.0011806300000000, -0.0006932000000000, -0.0001839400000000 ] - [ -0.0006405700000000, 0.0001684000000000, 0.0013441200000000 ] - [ -0.0090149800000000, -0.0089382400000000, -0.0122439300000000 ] - [ 0.0002733500000000, 0.0004159900000000, 0.0043263000000000 ] - [ -0.0097973100000000, 0.0091230200000000, -0.0115799200000000 ] - [ -0.0005387500000000, -0.0014447900000000, -0.0042453100000000 ] - [ 0.0002674800000000, 0.0001570000000000, 0.0041587300000000 ] - [ 0.0018391500000000, -0.0001635500000000, 0.0003359300000000 ] - [ 0.0001134700000000, -0.0003295100000000, 0.0018054800000000 ] - [ -0.0005470400000000, 0.0008737400000000, -0.0044350300000000 ] - [ -0.0004845800000000, 0.0006697200000000, 0.0042585100000000 ] - [ -0.0005028700000000, 0.0005357500000000, -0.0017154000000000 ] - [ 0.0004436000000000, -0.0001162400000000, 0.0001986800000000 ] - [ -0.0017108200000000, -0.0000899700000000, -0.0020119300000000 ] - [ -0.0005104400000000, 0.0003607800000000, -0.0037035500000000 ] - [ -0.0007441600000000, -0.0003221500000000, 0.0005109700000000 ] - [ -0.0012720100000000, -0.0003258000000000, -0.0031383900000000 ] - [ -0.0046398600000000, 0.0166481200000000, -0.0048517800000000 ] - [ 0.0004272600000000, 0.0007659900000000, -0.0016115300000000 ] - [ 0.0001148800000000, -0.0011611100000000, 0.0013751100000000 ] - [ -0.0003333100000000, -0.0003946200000000, -0.0030251300000000 ] - [ 0.0004384500000000, 0.0001629900000000, 0.0009485700000000 ] - [ 0.0004292700000000, -0.0008841400000000, -0.0017465700000000 ] - [ 0.0000354500000000, -0.0023144200000000, 0.0000512800000000 ] - [ -0.0000584600000000, -0.0003265200000000, 0.0007517200000000 ] - [ 0.0010031500000000, -0.0064107300000000, 0.0448490400000000 ] - [ 0.0005135700000000, -0.0006657700000000, -0.0007563700000000 ] - [ 0.0003374100000000, -0.0000008800000000, -0.0006118800000000 ] - [ 0.0045806600000000, -0.0047579300000000, 0.0129198300000000 ] - [ -0.0002827000000000, 0.0011872600000000, -0.0016222200000000 ] - [ -0.0000512700000000, -0.0009937400000000, -0.0008967800000000 ] - [ 0.0002829000000000, 0.0007220500000000, 0.0006338100000000 ] - [ -0.0003380600000000, -0.0004399700000000, -0.0014212800000000 ] - [ -0.0055767100000000, -0.0168872400000000, -0.0051042500000000 ] - [ -0.0001179900000000, 0.0001458500000000, 0.0010733900000000 ] - [ -0.0000150100000000, -0.0002016700000000, -0.0006474000000000 ] - [ -0.0006895800000000, 0.0002573100000000, -0.0007368500000000 ] - [ 0.0000078000000000, -0.0006511000000000, -0.0006785900000000 ] - [ -0.0001037700000000, -0.0001261500000000, 0.0005325000000000 ] - [ -0.0004562200000000, -0.0001761900000000, -0.0033841400000000 ] - [ 0.0021275100000000, -0.0031239300000000, -0.0182729400000000 ] - [ 0.0003806700000000, 0.0010174600000000, 0.0006703100000000 ] - [ 0.0011831800000000, 0.0069574200000000, 0.0499010200000000 ] - [ 0.0009952600000000, 0.0026638600000000, -0.0002378700000000 ] - [ 0.0045820200000000, 0.0055069900000000, 0.0120879000000000 ] - [ -0.0004682700000000, -0.0005352800000000, 0.0040633100000000 ] - [ -0.0006514800000000, 0.0000064100000000, 0.0007476900000000 ] - [ 0.0026547600000000, 0.0030777000000000, -0.0186400700000000 ] - [ 0.0050225900000000, 0.0058677200000000, 0.0137734300000000 ] - [ 0.0057120900000000, -0.0058098500000000, 0.0135721900000000 ] - [ -0.0011285800000000, 0.0012066400000000, 0.0028197400000000 ] - [ 0.0011608300000000, 0.0002232600000000, -0.0005755800000000 ] - [ 0.0122551900000000, -0.0100403600000000, 0.0072932500000000 ] - [ -0.0000302000000000, 0.0002237300000000, -0.0008721100000000 ] - [ 0.0000984200000000, 0.0002462500000000, -0.0007400500000000 ] - [ 0.0111440600000000, 0.0096662100000000, 0.0076636400000000 ] - [ -0.0002579700000000, -0.0002402100000000, -0.0004726700000000 ] - [ 0.0006498300000000, -0.0006171100000000, 0.0001528200000000 ] - [ -0.0011220900000000, -0.0001464700000000, -0.0023392700000000 ] - [ -0.0001320200000000, -0.0022796400000000, 0.0035259700000000 ] - [ 0.0006673400000000, -0.0004750100000000, -0.0003615900000000 ] - [ -0.0002780500000000, 0.0000666400000000, 0.0011558100000000 ] - [ -0.0011312600000000, 0.0000350200000000, -0.0024818000000000 ] - [ -0.0006048200000000, 0.0006983300000000, 0.0001529700000000 ] - [ -0.0007608900000000, -0.0006504800000000, 0.0013682700000000 ] - [ -0.0002887600000000, 0.0004878400000000, 0.0002212800000000 ] - [ 0.0001362100000000, -0.0001297200000000, -0.0010224300000000 ] - [ -0.0001120000000000, -0.0003328200000000, -0.0016435300000000 ] - [ -0.0000297000000000, 0.0002246600000000, 0.0011936600000000 ] - [ 0.0001350500000000, 0.0004825400000000, -0.0016988700000000 ] - [ 0.0003712400000000, -0.0002757500000000, -0.0009695700000000 ] - [ 0.0023797600000000, 0.0009680000000000, 0.0024667300000000 ] - [ -0.0005847600000000, -0.0006213700000000, -0.0015119000000000 ] - [ -0.0003075900000000, 0.0002816300000000, -0.0001469400000000 ] - [ -0.0007768200000000, 0.0004621200000000, 0.0016762500000000 ] - [ -0.0003899300000000, -0.0007357800000000, -0.0009194100000000 ] - [ -0.0011443100000000, 0.0005886500000000, -0.0017694700000000 ] - [ -0.0002330400000000, -0.0004671400000000, -0.0007670900000000 ] - [ -0.0008135900000000, -0.0000314800000000, 0.0007265100000000 ] - [ 0.0001636400000000, -0.0000700800000000, -0.0004144500000000 ] - [ -0.0002879900000000, 0.0000401200000000, -0.0001395000000000 ] - [ 0.0000945700000000, 0.0020349000000000, 0.0028205600000000 ] - [ 0.0002386100000000, 0.0003770900000000, 0.0003399400000000 ] - [ 0.0003475500000000, -0.0003665900000000, -0.0001302900000000 ] - [ 0.0003161300000000, 0.0008625500000000, 0.0004454900000000 ] - [ -0.0011195900000000, -0.0010866500000000, 0.0026603500000000 ] - [ 0.0014142400000000, -0.0002630100000000, 0.0026081400000000 ] - [ 0.0002548000000000, -0.0000718500000000, -0.0005360500000000 ] - [ -0.0007837200000000, -0.0002256600000000, 0.0004757300000000 ] - [ 0.0002410200000000, -0.0000202500000000, 0.0003519700000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012902000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0093369500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001372400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006979600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0032404400000000, -0.0015828000000000, -0.0001638900000000 ] - [ 0.0032404400000000, 0.0015828000000000, 0.0001638900000000 ] - [ 0.0047088500000000, 0.0034444300000000, -0.0008814500000000 ] - [ -0.2865353400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0047088500000000, -0.0034444300000000, 0.0008814500000000 ] - [ -0.0023036200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0058279300000000, 0.0013184400000000, 0.0052278400000000 ] - [ -0.0058279300000000, -0.0013184400000000, -0.0052278400000000 ] - [ -0.0031147900000000, 0.0007064600000000, 0.0056807500000000 ] - [ 0.0028204500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0031147900000000, -0.0007064600000000, -0.0056807500000000 ] - [ -0.0006817400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0010133900000000, 0.0050036400000000, -0.0000269900000000 ] - [ 0.0007891700000000, 0.0015285300000000, -0.0001761200000000 ] - [ 0.0007891700000000, -0.0015285300000000, 0.0001761200000000 ] - [ 0.0068143900000000, -0.0013563200000000, -0.0077991300000000 ] - [ -0.0017488600000000, -0.0097286400000000, -0.0024423000000000 ] - [ 0.0044494200000000, 0.0040638600000000, -0.0042806100000000 ] - [ 0.0068143900000000, 0.0013563200000000, 0.0077991300000000 ] - [ -0.0060217700000000, 0.0174364100000000, -0.0312755200000000 ] - [ -0.0060217700000000, -0.0174364100000000, 0.0312755200000000 ] - [ 0.0010133900000000, -0.0050036400000000, 0.0000269900000000 ] - [ -0.0017488600000000, 0.0097286400000000, 0.0024423000000000 ] - [ 0.0044494200000000, -0.0040638600000000, 0.0042806100000000 ] - [ 0.0237758400000000, 0.0306238600000000, 0.0002830300000000 ] - [ -0.0030461800000000, -0.0006261600000000, 0.0006481500000000 ] - [ -0.0030461800000000, 0.0006261600000000, -0.0006481500000000 ] - [ -0.0025244100000000, -0.0019913300000000, -0.0003070600000000 ] - [ 0.0018121600000000, 0.0005580900000000, 0.0006324700000000 ] - [ -0.0016790200000000, 0.0002458600000000, -0.0002197100000000 ] - [ -0.0025244100000000, 0.0019913300000000, 0.0003070600000000 ] - [ 0.0018048400000000, 0.0002824800000000, 0.0007462300000000 ] - [ 0.0018048400000000, -0.0002824800000000, -0.0007462300000000 ] - [ 0.0237758400000000, -0.0306238600000000, -0.0002830300000000 ] - [ 0.0018121600000000, -0.0005580900000000, -0.0006324700000000 ] - [ -0.0016790200000000, -0.0002458600000000, 0.0002197100000000 ] - [ -0.0005250400000000, 0.0002843000000000, -0.0015002600000000 ] - [ -0.0061312700000000, 0.0013212700000000, 0.0046878800000000 ] - [ -0.0061312700000000, -0.0013212700000000, -0.0046878800000000 ] - [ 0.0009335900000000, -0.0015369400000000, -0.0009492600000000 ] - [ -0.0010595600000000, -0.0001476500000000, -0.0000153100000000 ] - [ 0.0009335900000000, 0.0015369400000000, 0.0009492600000000 ] - [ -0.0013010500000000, -0.0027729700000000, -0.0007380200000000 ] - [ 0.0003378800000000, -0.0004361300000000, 0.0002462500000000 ] - [ 0.0681476100000000, -0.0020982700000000, 0.0594841700000000 ] - [ -0.0029704800000000, 0.0012529900000000, -0.0032036000000000 ] - [ -0.0036092700000000, 0.0002220400000000, 0.0011698900000000 ] - [ -0.0003093200000000, 0.0003206000000000, -0.0000823600000000 ] - [ -0.0005250400000000, -0.0002843000000000, 0.0015002600000000 ] - [ -0.0016828300000000, 0.0018740200000000, 0.0001781000000000 ] - [ 0.0004752800000000, 0.0006465500000000, -0.0001124300000000 ] - [ -0.0014680800000000, -0.0019660700000000, -0.0002873600000000 ] - [ -0.0006594400000000, 0.0004962300000000, -0.0007793200000000 ] - [ 0.0012260400000000, 0.0016744500000000, 0.0002214300000000 ] - [ -0.0035073800000000, 0.0018419200000000, 0.0003525800000000 ] - [ -0.0029704800000000, -0.0012529900000000, 0.0032036000000000 ] - [ 0.0021883500000000, -0.0047301200000000, -0.0093456900000000 ] - [ -0.0036092700000000, -0.0002220400000000, -0.0011698900000000 ] - [ -0.0035073800000000, -0.0018419200000000, -0.0003525800000000 ] - [ -0.0016828300000000, -0.0018740200000000, -0.0001781000000000 ] - [ -0.0010595600000000, 0.0001476500000000, 0.0000153100000000 ] - [ -0.0014680800000000, 0.0019660700000000, 0.0002873600000000 ] - [ -0.0015235500000000, 0.0005675200000000, -0.0000459500000000 ] - [ -0.0044729900000000, 0.0043458400000000, -0.0054397000000000 ] - [ -0.0012796100000000, 0.0015701700000000, 0.0002647600000000 ] - [ 0.0004752800000000, -0.0006465500000000, 0.0001124300000000 ] - [ -0.0012796100000000, -0.0015701700000000, -0.0002647600000000 ] - [ 0.0021883500000000, 0.0047301200000000, 0.0093456900000000 ] - [ -0.0006594400000000, -0.0004962300000000, 0.0007793200000000 ] - [ 0.0003378800000000, 0.0004361300000000, -0.0002462500000000 ] - [ -0.0044729900000000, -0.0043458400000000, 0.0054397000000000 ] - [ 0.0681476100000000, 0.0020982700000000, -0.0594841700000000 ] - [ -0.0013010500000000, 0.0027729700000000, 0.0007380200000000 ] - [ -0.0003093200000000, -0.0003206000000000, 0.0000823600000000 ] - [ -0.0015235500000000, -0.0005675200000000, 0.0000459500000000 ] - [ 0.0012260400000000, -0.0016744500000000, -0.0002214300000000 ] - [ 0.0003748500000000, -0.0000568200000000, -0.0001169000000000 ] - [ 0.0015140100000000, 0.0011422200000000, -0.0001494800000000 ] - [ 0.0015140100000000, -0.0011422200000000, 0.0001494800000000 ] - [ -0.0014102000000000, 0.0007075400000000, 0.0003198800000000 ] - [ 0.0113357800000000, 0.0105342200000000, -0.0032631600000000 ] - [ -0.0014102000000000, -0.0007075400000000, -0.0003198800000000 ] - [ -0.0009959800000000, -0.0006737200000000, 0.0008901000000000 ] - [ 0.0016249700000000, -0.0003395100000000, 0.0001038200000000 ] - [ -0.0008129000000000, -0.0000000800000000, 0.0002051400000000 ] - [ 0.0003302200000000, -0.0006869000000000, 0.0004570300000000 ] - [ 0.0021120100000000, 0.0000716600000000, 0.0006617400000000 ] - [ 0.0011079400000000, -0.0005366200000000, 0.0006116700000000 ] - [ 0.0003748500000000, 0.0000568200000000, 0.0001169000000000 ] - [ 0.0566078500000000, -0.0681180400000000, -0.0104099800000000 ] - [ 0.0000709100000000, 0.0003271100000000, -0.0015957900000000 ] - [ -0.0020731000000000, -0.0082272000000000, -0.0055889200000000 ] - [ 0.0011791000000000, -0.0010572300000000, 0.0008774400000000 ] - [ 0.0001424300000000, 0.0007446500000000, 0.0023345600000000 ] - [ 0.0011363300000000, 0.0002148200000000, -0.0003980700000000 ] - [ 0.0003302200000000, 0.0006869000000000, -0.0004570300000000 ] - [ -0.0002906300000000, 0.0006109600000000, 0.0007228400000000 ] - [ 0.0021120100000000, -0.0000716600000000, -0.0006617400000000 ] - [ 0.0011363300000000, -0.0002148200000000, 0.0003980700000000 ] - [ 0.0566078500000000, 0.0681180400000000, 0.0104099800000000 ] - [ 0.0113357800000000, -0.0105342200000000, 0.0032631600000000 ] - [ -0.0020731000000000, 0.0082272000000000, 0.0055889200000000 ] - [ 0.0030593400000000, -0.0027721300000000, 0.0015355800000000 ] - [ -0.0006905700000000, 0.0002920400000000, 0.0012000200000000 ] - [ -0.0031225800000000, 0.0064185000000000, -0.0074854800000000 ] - [ 0.0000709100000000, -0.0003271100000000, 0.0015957900000000 ] - [ -0.0031225800000000, -0.0064185000000000, 0.0074854800000000 ] - [ -0.0002906300000000, -0.0006109600000000, -0.0007228400000000 ] - [ 0.0011791000000000, 0.0010572300000000, -0.0008774400000000 ] - [ 0.0016249700000000, 0.0003395100000000, -0.0001038200000000 ] - [ -0.0006905700000000, -0.0002920400000000, -0.0012000200000000 ] - [ -0.0008129000000000, 0.0000000800000000, -0.0002051400000000 ] - [ -0.0009959800000000, 0.0006737200000000, -0.0008901000000000 ] - [ 0.0011079400000000, 0.0005366200000000, -0.0006116700000000 ] - [ 0.0030593400000000, 0.0027721300000000, -0.0015355800000000 ] - [ 0.0001424300000000, -0.0007446500000000, -0.0023345600000000 ]- atom: 8 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011319400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0095617400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002909700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005438400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0032337500000000, 0.0007530800000000, 0.0001757200000000 ] - [ -0.0032337500000000, -0.0007530800000000, -0.0001757200000000 ] - [ -0.0046947600000000, -0.0030557400000000, 0.0008959200000000 ] - [ 0.2891418500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0046947600000000, 0.0030557400000000, -0.0008959200000000 ] - [ 0.0011195200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0058202000000000, -0.0021594100000000, -0.0052408300000000 ] - [ 0.0058202000000000, 0.0021594100000000, 0.0052408300000000 ] - [ 0.0031050300000000, -0.0003141300000000, -0.0056980800000000 ] - [ -0.0016556200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0031050300000000, 0.0003141300000000, 0.0056980800000000 ] - [ -0.0004878400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003273200000000, -0.0041746800000000, -0.0004576100000000 ] - [ -0.0014636300000000, -0.0006755400000000, 0.0006620700000000 ] - [ -0.0014636300000000, 0.0006755400000000, -0.0006620700000000 ] - [ -0.0075771000000000, 0.0011539900000000, 0.0073237700000000 ] - [ 0.0025257000000000, 0.0098707500000000, 0.0019621300000000 ] - [ -0.0044530200000000, -0.0034499400000000, 0.0044123500000000 ] - [ -0.0075771000000000, -0.0011539900000000, -0.0073237700000000 ] - [ 0.0060186000000000, -0.0179834700000000, 0.0314492600000000 ] - [ 0.0060186000000000, 0.0179834700000000, -0.0314492600000000 ] - [ -0.0003273200000000, 0.0041746800000000, 0.0004576100000000 ] - [ 0.0025257000000000, -0.0098707500000000, -0.0019621300000000 ] - [ -0.0044530200000000, 0.0034499400000000, -0.0044123500000000 ] - [ -0.0231638100000000, -0.0296208500000000, -0.0007469600000000 ] - [ 0.0023628000000000, 0.0014848600000000, -0.0001630200000000 ] - [ 0.0023628000000000, -0.0014848600000000, 0.0001630200000000 ] - [ 0.0017743600000000, 0.0018394200000000, -0.0001621700000000 ] - [ -0.0010582200000000, -0.0004098000000000, -0.0010968600000000 ] - [ 0.0016812100000000, 0.0003373600000000, 0.0003837300000000 ] - [ 0.0017743600000000, -0.0018394200000000, 0.0001621700000000 ] - [ -0.0018079300000000, -0.0008633500000000, -0.0005827200000000 ] - [ -0.0018079300000000, 0.0008633500000000, 0.0005827200000000 ] - [ -0.0231638100000000, 0.0296208500000000, 0.0007469600000000 ] - [ -0.0010582200000000, 0.0004098000000000, 0.0010968600000000 ] - [ 0.0016812100000000, -0.0003373600000000, -0.0003837300000000 ] - [ 0.0005240100000000, -0.0001664300000000, 0.0016312500000000 ] - [ 0.0073598100000000, -0.0008528900000000, -0.0043932200000000 ] - [ 0.0073598100000000, 0.0008528900000000, 0.0043932200000000 ] - [ -0.0021243900000000, 0.0019809000000000, 0.0006438100000000 ] - [ 0.0010019200000000, 0.0003324500000000, -0.0003085900000000 ] - [ -0.0021243900000000, -0.0019809000000000, -0.0006438100000000 ] - [ 0.0003604000000000, 0.0020526700000000, 0.0006290400000000 ] - [ 0.0006179000000000, 0.0001010600000000, 0.0000473500000000 ] - [ -0.0698246100000000, 0.0022787100000000, -0.0624974600000000 ] - [ 0.0027184800000000, -0.0014598200000000, 0.0039022500000000 ] - [ 0.0045368100000000, -0.0009271600000000, -0.0010540000000000 ] - [ 0.0008504000000000, -0.0002885700000000, 0.0004851100000000 ] - [ 0.0005240100000000, 0.0001664300000000, -0.0016312500000000 ] - [ 0.0007280100000000, -0.0015445200000000, 0.0001157100000000 ] - [ -0.0004175200000000, -0.0008283500000000, -0.0002139400000000 ] - [ 0.0009402800000000, 0.0028469600000000, 0.0001696900000000 ] - [ 0.0011839000000000, -0.0013611200000000, 0.0006659000000000 ] - [ -0.0002019400000000, -0.0014195700000000, -0.0000935500000000 ] - [ 0.0031540600000000, -0.0007432800000000, 0.0003843500000000 ] - [ 0.0027184800000000, 0.0014598200000000, -0.0039022500000000 ] - [ -0.0019420600000000, 0.0049225000000000, 0.0100591200000000 ] - [ 0.0045368100000000, 0.0009271600000000, 0.0010540000000000 ] - [ 0.0031540600000000, 0.0007432800000000, -0.0003843500000000 ] - [ 0.0007280100000000, 0.0015445200000000, -0.0001157100000000 ] - [ 0.0010019200000000, -0.0003324500000000, 0.0003085900000000 ] - [ 0.0009402800000000, -0.0028469600000000, -0.0001696900000000 ] - [ 0.0004989100000000, -0.0003161700000000, -0.0000768400000000 ] - [ 0.0047787400000000, -0.0053984200000000, 0.0061604100000000 ] - [ 0.0007378700000000, -0.0015479400000000, -0.0006714000000000 ] - [ -0.0004175200000000, 0.0008283500000000, 0.0002139400000000 ] - [ 0.0007378700000000, 0.0015479400000000, 0.0006714000000000 ] - [ -0.0019420600000000, -0.0049225000000000, -0.0100591200000000 ] - [ 0.0011839000000000, 0.0013611200000000, -0.0006659000000000 ] - [ 0.0006179000000000, -0.0001010600000000, -0.0000473500000000 ] - [ 0.0047787400000000, 0.0053984200000000, -0.0061604100000000 ] - [ -0.0698246100000000, -0.0022787100000000, 0.0624974600000000 ] - [ 0.0003604000000000, -0.0020526700000000, -0.0006290400000000 ] - [ 0.0008504000000000, 0.0002885700000000, -0.0004851100000000 ] - [ 0.0004989100000000, 0.0003161700000000, 0.0000768400000000 ] - [ -0.0002019400000000, 0.0014195700000000, 0.0000935500000000 ] - [ -0.0003795800000000, 0.0001730900000000, 0.0002594500000000 ] - [ -0.0003318600000000, -0.0007015400000000, 0.0004546900000000 ] - [ -0.0003318600000000, 0.0007015400000000, -0.0004546900000000 ] - [ 0.0002199000000000, -0.0002632700000000, -0.0006198500000000 ] - [ -0.0114008700000000, -0.0103646300000000, 0.0029377300000000 ] - [ 0.0002199000000000, 0.0002632700000000, 0.0006198500000000 ] - [ 0.0000694200000000, -0.0000448800000000, -0.0010033900000000 ] - [ -0.0006619500000000, -0.0000017100000000, 0.0001901900000000 ] - [ 0.0008193500000000, -0.0001165100000000, -0.0000632900000000 ] - [ -0.0005656100000000, 0.0004887200000000, 0.0002696400000000 ] - [ -0.0011869500000000, -0.0007875300000000, -0.0005508200000000 ] - [ -0.0005636600000000, 0.0005709300000000, -0.0002063400000000 ] - [ -0.0003795800000000, -0.0001730900000000, -0.0002594500000000 ] - [ -0.0565463100000000, 0.0657086700000000, 0.0103171500000000 ] - [ -0.0000005600000000, -0.0004947200000000, 0.0012685700000000 ] - [ 0.0015639300000000, 0.0091375300000000, 0.0054999000000000 ] - [ -0.0006498000000000, 0.0001939000000000, -0.0009913100000000 ] - [ 0.0008979300000000, -0.0004755200000000, -0.0022060600000000 ] - [ -0.0014879300000000, 0.0008767700000000, 0.0011448300000000 ] - [ -0.0005656100000000, -0.0004887200000000, -0.0002696400000000 ] - [ 0.0005255400000000, -0.0004128000000000, 0.0000053800000000 ] - [ -0.0011869500000000, 0.0007875300000000, 0.0005508200000000 ] - [ -0.0014879300000000, -0.0008767700000000, -0.0011448300000000 ] - [ -0.0565463100000000, -0.0657086700000000, -0.0103171500000000 ] - [ -0.0114008700000000, 0.0103646300000000, -0.0029377300000000 ] - [ 0.0015639300000000, -0.0091375300000000, -0.0054999000000000 ] - [ -0.0040886800000000, 0.0030234400000000, -0.0016674700000000 ] - [ 0.0010437900000000, -0.0013819200000000, -0.0004579900000000 ] - [ 0.0026050600000000, -0.0064025200000000, 0.0071101000000000 ] - [ -0.0000005600000000, 0.0004947200000000, -0.0012685700000000 ] - [ 0.0026050600000000, 0.0064025200000000, -0.0071101000000000 ] - [ 0.0005255400000000, 0.0004128000000000, -0.0000053800000000 ] - [ -0.0006498000000000, -0.0001939000000000, 0.0009913100000000 ] - [ -0.0006619500000000, 0.0000017100000000, -0.0001901900000000 ] - [ 0.0010437900000000, 0.0013819200000000, 0.0004579900000000 ] - [ 0.0008193500000000, 0.0001165100000000, 0.0000632900000000 ] - [ 0.0000694200000000, 0.0000448800000000, 0.0010033900000000 ] - [ -0.0005636600000000, -0.0005709300000000, 0.0002063400000000 ] - [ -0.0040886800000000, -0.0030234400000000, 0.0016674700000000 ] - [ 0.0008979300000000, 0.0004755200000000, 0.0022060600000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000780300000000, -0.0009902100000000, -0.0001412300000000 ] - [ -0.0000690000000000, -0.0033917600000000, 0.0001554100000000 ] - [ 0.0000774200000000, 0.0011994200000000, 0.0001202000000000 ] - [ -0.0000759800000000, 0.0042165800000000, -0.0003278500000000 ] - [ 0.0004852700000000, 0.0008720200000000, 0.0020596000000000 ] - [ -0.0004914800000000, 0.0017197600000000, 0.0020498000000000 ] - [ 0.0013114600000000, -0.0002615400000000, -0.0015924500000000 ] - [ -0.0049397700000000, -0.2905144800000000, -0.0074534900000000 ] - [ -0.0013068800000000, -0.0006717200000000, -0.0016003800000000 ] - [ -0.0005852900000000, -0.0030020500000000, 0.0000566400000000 ] - [ -0.0007385100000000, 0.0023137800000000, -0.0089365700000000 ] - [ 0.0007484800000000, 0.0031517900000000, -0.0089553600000000 ] - [ -0.0005077300000000, 0.0042302500000000, 0.0073231800000000 ] - [ 0.0005839600000000, 0.0044885600000000, -0.0003588600000000 ] - [ 0.0005170400000000, 0.0038394000000000, 0.0073133900000000 ] - [ -0.0005877100000000, 0.0019453500000000, 0.0001908300000000 ] - [ 0.0033204500000000, 0.0038358700000000, -0.0007714500000000 ] - [ -0.0007833000000000, 0.0014104900000000, 0.0004899300000000 ] - [ 0.0001076000000000, 0.0005488700000000, 0.0000036000000000 ] - [ -0.0058037600000000, -0.0080186300000000, 0.0109492600000000 ] - [ -0.0029947000000000, -0.0079672600000000, 0.0039363500000000 ] - [ 0.0011027900000000, -0.0072272500000000, 0.0012715900000000 ] - [ 0.0050437900000000, -0.0078825000000000, 0.0114029400000000 ] - [ 0.0093080000000000, -0.0076918200000000, -0.0135316100000000 ] - [ -0.0093410400000000, -0.0072859200000000, -0.0136105700000000 ] - [ -0.0026711300000000, 0.0029825900000000, -0.0002924300000000 ] - [ 0.0037409900000000, -0.0080603500000000, 0.0043910300000000 ] - [ -0.0011074600000000, -0.0077970500000000, 0.0010974300000000 ] - [ 0.0345565200000000, 0.0444730900000000, 0.0019310400000000 ] - [ 0.0001894200000000, -0.0010755700000000, -0.0000546300000000 ] - [ -0.0008665800000000, -0.0019217400000000, -0.0005392200000000 ] - [ -0.0027375900000000, 0.0051954000000000, -0.0026025300000000 ] - [ -0.0012568700000000, 0.0033266600000000, -0.0012863500000000 ] - [ 0.0017624600000000, 0.0049711700000000, -0.0001218700000000 ] - [ 0.0019747300000000, 0.0053407300000000, -0.0021150000000000 ] - [ 0.0015709600000000, 0.0044105800000000, 0.0005052900000000 ] - [ -0.0015645600000000, 0.0049945900000000, 0.0003380900000000 ] - [ -0.0336218200000000, 0.0434382300000000, 0.0023455300000000 ] - [ 0.0020178100000000, 0.0031722600000000, -0.0008238900000000 ] - [ -0.0017692200000000, 0.0043871700000000, -0.0002782700000000 ] - [ 0.0001369300000000, 0.0018758400000000, 0.0000694400000000 ] - [ 0.0145369700000000, -0.0005942400000000, -0.0085245300000000 ] - [ -0.0133186700000000, -0.0010341400000000, -0.0088222600000000 ] - [ -0.0010697700000000, 0.0014007000000000, -0.0010750800000000 ] - [ -0.0003334100000000, -0.0015837900000000, -0.0004785200000000 ] - [ -0.0001173100000000, 0.0009637300000000, -0.0007751800000000 ] - [ -0.0007119000000000, 0.0012305200000000, -0.0007848500000000 ] - [ 0.0009728100000000, -0.0013070600000000, 0.0001253600000000 ] - [ -0.0036273200000000, 0.0148551500000000, -0.0042845800000000 ] - [ -0.0005757600000000, 0.0065625900000000, -0.0023923900000000 ] - [ 0.0026315600000000, 0.0007049100000000, -0.0019270700000000 ] - [ 0.0000999600000000, -0.0002990600000000, -0.0003293800000000 ] - [ -0.0001406100000000, 0.0017601400000000, -0.0000762300000000 ] - [ 0.0008581200000000, -0.0026046400000000, 0.0001981800000000 ] - [ -0.0002223800000000, -0.0015109900000000, -0.0004999800000000 ] - [ -0.0010071900000000, 0.0000653700000000, 0.0006064900000000 ] - [ 0.0003771000000000, -0.0003995800000000, 0.0001900900000000 ] - [ 0.0011184700000000, -0.0006231000000000, 0.0007184400000000 ] - [ -0.0010494100000000, 0.0024033700000000, 0.0005562300000000 ] - [ 0.0003468000000000, 0.0067605300000000, -0.0031258000000000 ] - [ -0.0004269000000000, 0.0062511800000000, 0.0036301500000000 ] - [ -0.0016951100000000, 0.0014280500000000, -0.0020335000000000 ] - [ 0.0007017700000000, 0.0013187300000000, -0.0001890600000000 ] - [ -0.0018099500000000, -0.0029394700000000, -0.0000962400000000 ] - [ 0.0002735100000000, -0.0017624900000000, -0.0001551600000000 ] - [ 0.0004871100000000, -0.0007921800000000, 0.0007272700000000 ] - [ -0.0004662800000000, -0.0006215500000000, 0.0006437500000000 ] - [ 0.0014194100000000, 0.0008917200000000, 0.0002249200000000 ] - [ 0.0009242200000000, -0.0010532400000000, -0.0006598400000000 ] - [ 0.0002851600000000, -0.0013326800000000, -0.0001723200000000 ] - [ -0.0014527800000000, -0.0010846000000000, -0.0002504300000000 ] - [ 0.0006717300000000, 0.0060711800000000, 0.0029502400000000 ] - [ 0.0001486900000000, 0.0004605100000000, 0.0003050600000000 ] - [ -0.0000137900000000, -0.0009670400000000, -0.0001680100000000 ] - [ -0.0010937700000000, 0.0019398600000000, -0.0004859500000000 ] - [ 0.0041438000000000, 0.0151212100000000, -0.0050770700000000 ] - [ -0.0002189400000000, 0.0019595600000000, -0.0006748400000000 ] - [ 0.0004417300000000, -0.0003350100000000, -0.0007339500000000 ] - [ -0.0005609400000000, -0.0008783500000000, 0.0007666100000000 ] - [ -0.0000861200000000, -0.0008838000000000, 0.0005868300000000 ] - [ 0.0003061500000000, -0.0012709600000000, -0.0004104000000000 ] - [ 0.0016532100000000, -0.0013757200000000, 0.0013029500000000 ] - [ -0.0004518800000000, -0.0018134900000000, 0.0009920600000000 ] - [ -0.0008592200000000, -0.0002178900000000, 0.0000754800000000 ] - [ 0.0043133100000000, 0.0026691300000000, 0.0053537400000000 ] - [ -0.0003334400000000, -0.0006642300000000, 0.0003749000000000 ] - [ -0.0019121100000000, -0.0019199200000000, 0.0013637700000000 ] - [ -0.0002347200000000, 0.0015260200000000, 0.0001199000000000 ] - [ 0.0003165200000000, -0.0019743900000000, 0.0006680300000000 ] - [ -0.0002582900000000, -0.0038727500000000, 0.0015263300000000 ] - [ 0.0023327600000000, -0.0027702400000000, 0.0008852300000000 ] - [ 0.0005543600000000, -0.0000845200000000, 0.0015121300000000 ] - [ -0.0003082300000000, -0.0013873600000000, -0.0005496300000000 ] - [ -0.0648969700000000, 0.1055676700000000, 0.0138661700000000 ] - [ 0.0026335100000000, 0.0029200500000000, 0.0012644500000000 ] - [ -0.0028290000000000, -0.0106199400000000, -0.0064879400000000 ] - [ 0.0002700200000000, -0.0007240000000000, -0.0007403400000000 ] - [ 0.0018329900000000, 0.0009699700000000, -0.0026572300000000 ] - [ 0.0017601900000000, -0.0018469400000000, -0.0005488700000000 ] - [ 0.0000247700000000, -0.0036769500000000, 0.0008036200000000 ] - [ 0.0001436000000000, -0.0027835600000000, -0.0004383600000000 ] - [ -0.0014033500000000, -0.0020517600000000, 0.0007684300000000 ] - [ -0.0021073000000000, -0.0029358500000000, -0.0012902100000000 ] - [ 0.0686618700000000, 0.1108165500000000, 0.0145222300000000 ] - [ -0.0043216400000000, 0.0024238200000000, 0.0056422400000000 ] - [ 0.0022838500000000, -0.0115144900000000, -0.0063797400000000 ] - [ -0.0032319900000000, 0.0014435100000000, -0.0043780400000000 ] - [ 0.0018367700000000, -0.0028572700000000, -0.0004747700000000 ] - [ 0.0046216600000000, -0.0095850300000000, 0.0087173200000000 ] - [ -0.0025777200000000, 0.0031079500000000, 0.0015903100000000 ] - [ -0.0051759900000000, -0.0096154100000000, 0.0091050300000000 ] - [ 0.0000897800000000, -0.0029844500000000, -0.0011672500000000 ] - [ 0.0002564500000000, 0.0001427000000000, -0.0006299300000000 ] - [ 0.0011908300000000, 0.0018588700000000, -0.0001741900000000 ] - [ -0.0014903800000000, -0.0017672700000000, -0.0012201700000000 ] - [ -0.0003135200000000, -0.0018560100000000, 0.0005232500000000 ] - [ 0.0009802600000000, -0.0012028800000000, 0.0014735300000000 ] - [ -0.0000137400000000, -0.0001170000000000, 0.0011121800000000 ] - [ 0.0022142100000000, 0.0011992600000000, -0.0042806500000000 ] - [ -0.0008118800000000, 0.0007221400000000, -0.0027795100000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000756800000000, 0.0003322200000000, 0.0029976300000000 ] - [ -0.0000657700000000, 0.0005742300000000, -0.0052788300000000 ] - [ 0.0000778000000000, 0.0000156000000000, 0.0007388900000000 ] - [ -0.0000762100000000, 0.0001450300000000, -0.0008579900000000 ] - [ -0.0019504900000000, 0.0025214600000000, -0.0002890300000000 ] - [ 0.0019399900000000, 0.0033533300000000, -0.0002770700000000 ] - [ -0.0050719900000000, -0.0052582300000000, 0.0002151800000000 ] - [ 0.0054566300000000, -0.0074238900000000, -0.2551180100000000 ] - [ 0.0050714900000000, -0.0056478400000000, 0.0002209700000000 ] - [ -0.0005802300000000, -0.0000569000000000, 0.0043579600000000 ] - [ 0.0069431900000000, -0.0084150100000000, 0.0011457400000000 ] - [ -0.0068879100000000, -0.0075235300000000, 0.0011664100000000 ] - [ 0.0023171900000000, 0.0037050100000000, 0.0005927500000000 ] - [ 0.0005851800000000, -0.0003588900000000, -0.0012362900000000 ] - [ -0.0022959600000000, 0.0032978100000000, 0.0006266000000000 ] - [ -0.0005866000000000, -0.0001912300000000, 0.0018791100000000 ] - [ -0.0001252800000000, -0.0007341400000000, -0.0062532400000000 ] - [ -0.0004139300000000, -0.0003082300000000, 0.0038660200000000 ] - [ -0.0002645800000000, -0.0011608500000000, 0.0033795900000000 ] - [ -0.0021518300000000, 0.0027797500000000, -0.0014716700000000 ] - [ -0.0023932000000000, 0.0118094300000000, 0.0100991400000000 ] - [ -0.0015712700000000, 0.0005270600000000, 0.0030461000000000 ] - [ 0.0013935100000000, 0.0029629900000000, -0.0010632500000000 ] - [ -0.0124577600000000, -0.0188855600000000, 0.0504293100000000 ] - [ 0.0120479900000000, -0.0183051500000000, 0.0500857800000000 ] - [ 0.0008032500000000, -0.0015971700000000, -0.0057651500000000 ] - [ 0.0031113900000000, 0.0116220000000000, 0.0105444900000000 ] - [ 0.0015858400000000, -0.0000530200000000, 0.0028721000000000 ] - [ 0.0027404500000000, 0.0046007300000000, -0.0029855600000000 ] - [ 0.0022502400000000, 0.0018878300000000, 0.0073839900000000 ] - [ -0.0029165800000000, 0.0010241500000000, 0.0069063700000000 ] - [ 0.0004363800000000, -0.0030497100000000, -0.0023256300000000 ] - [ 0.0003772000000000, -0.0006744200000000, 0.0008042800000000 ] - [ 0.0001977100000000, 0.0010679200000000, 0.0012378600000000 ] - [ -0.0012049000000000, -0.0029045600000000, -0.0018771600000000 ] - [ 0.0002085400000000, 0.0003643800000000, -0.0005394200000000 ] - [ -0.0002062900000000, 0.0009494700000000, -0.0006958600000000 ] - [ -0.0021459200000000, 0.0038348800000000, -0.0025005200000000 ] - [ 0.0003836600000000, -0.0008220200000000, 0.0012749900000000 ] - [ -0.0002024300000000, 0.0004875000000000, 0.0010692200000000 ] - [ 0.0001180200000000, -0.0005736500000000, -0.0024317100000000 ] - [ 0.0006084800000000, -0.0006639200000000, 0.0010002600000000 ] - [ 0.0006406700000000, -0.0011011200000000, 0.0007408800000000 ] - [ 0.0016705600000000, -0.0020711900000000, -0.0054026100000000 ] - [ -0.0001133100000000, -0.0003416800000000, -0.0000585800000000 ] - [ -0.0028637300000000, -0.0025222300000000, -0.0051061300000000 ] - [ -0.0031851000000000, -0.0036263800000000, -0.0015350100000000 ] - [ 0.0003235300000000, 0.0002254400000000, -0.0007459000000000 ] - [ 0.0623126200000000, -0.0030494200000000, 0.0854090000000000 ] - [ -0.0017617800000000, -0.0009767700000000, -0.0002653800000000 ] - [ 0.0008630100000000, -0.0012211200000000, 0.0002710100000000 ] - [ 0.0006948500000000, -0.0005901100000000, -0.0020983500000000 ] - [ -0.0001242600000000, -0.0006907500000000, -0.0025784700000000 ] - [ -0.0008413800000000, 0.0008174000000000, 0.0012862500000000 ] - [ 0.0002145100000000, -0.0008966500000000, -0.0003172700000000 ] - [ 0.0005628600000000, 0.0024026700000000, 0.0028969400000000 ] - [ -0.0005304200000000, 0.0008762800000000, -0.0025832000000000 ] - [ 0.0004158000000000, 0.0020518100000000, 0.0005299600000000 ] - [ 0.0005372300000000, 0.0008155700000000, 0.0002052600000000 ] - [ 0.0015145400000000, -0.0007611400000000, -0.0010033800000000 ] - [ -0.0002239900000000, -0.0067108700000000, -0.0098390500000000 ] - [ 0.0000692700000000, -0.0005080000000000, 0.0001701900000000 ] - [ -0.0008910500000000, -0.0002761200000000, -0.0005440500000000 ] - [ -0.0001154700000000, 0.0004785700000000, 0.0009931800000000 ] - [ 0.0000538600000000, -0.0005219800000000, 0.0002694500000000 ] - [ -0.0010897100000000, 0.0015389800000000, 0.0030037500000000 ] - [ -0.0009934200000000, 0.0007812100000000, -0.0003665000000000 ] - [ -0.0084414800000000, 0.0054117100000000, -0.0077125500000000 ] - [ 0.0001744000000000, -0.0011582600000000, 0.0029006600000000 ] - [ -0.0001523200000000, -0.0007137100000000, 0.0000054800000000 ] - [ -0.0007167800000000, -0.0011926900000000, 0.0032995400000000 ] - [ 0.0004976200000000, -0.0069255400000000, -0.0105655300000000 ] - [ 0.0010575800000000, 0.0017424000000000, -0.0024684700000000 ] - [ 0.0006346000000000, 0.0005622300000000, -0.0010390000000000 ] - [ 0.0087874800000000, 0.0064431800000000, -0.0084019100000000 ] - [ -0.0663661100000000, -0.0033698700000000, 0.0891884100000000 ] - [ 0.0022731300000000, -0.0029178100000000, -0.0014180400000000 ] - [ -0.0001517500000000, -0.0006216200000000, -0.0025029900000000 ] - [ -0.0000341200000000, 0.0005266800000000, -0.0002388200000000 ] - [ 0.0006156300000000, 0.0017985000000000, 0.0004081600000000 ] - [ 0.0001657500000000, -0.0001881600000000, -0.0011268100000000 ] - [ -0.0001264900000000, 0.0004998200000000, 0.0019548200000000 ] - [ 0.0013192000000000, 0.0000522500000000, 0.0016622500000000 ] - [ -0.0004881500000000, 0.0003858900000000, -0.0011342800000000 ] - [ 0.0061973100000000, 0.0128119500000000, -0.0084169200000000 ] - [ -0.0007018900000000, -0.0000573600000000, -0.0008317600000000 ] - [ -0.0002092000000000, 0.0000933000000000, -0.0002130200000000 ] - [ -0.0001513600000000, -0.0001818700000000, -0.0018944500000000 ] - [ 0.0001324500000000, -0.0002767200000000, 0.0008089100000000 ] - [ 0.0000789000000000, 0.0006364100000000, 0.0005204000000000 ] - [ 0.0003560300000000, 0.0016822700000000, 0.0006606200000000 ] - [ 0.0000281400000000, 0.0003594200000000, -0.0049367500000000 ] - [ -0.0001680000000000, -0.0003059800000000, -0.0012709300000000 ] - [ -0.0111822100000000, 0.0145673800000000, 0.0131184100000000 ] - [ -0.0016687500000000, 0.0003876200000000, -0.0011198400000000 ] - [ -0.0008741800000000, 0.0003937100000000, 0.0011794800000000 ] - [ 0.0008285200000000, -0.0007305400000000, -0.0026866200000000 ] - [ 0.0010883800000000, -0.0008185200000000, 0.0000237400000000 ] - [ -0.0000514700000000, -0.0003275100000000, 0.0001886300000000 ] - [ -0.0003101500000000, 0.0008356100000000, -0.0002110600000000 ] - [ 0.0001778600000000, 0.0002270400000000, 0.0002316900000000 ] - [ 0.0005739500000000, 0.0024110700000000, 0.0005572000000000 ] - [ -0.0002983200000000, -0.0014140800000000, -0.0005605500000000 ] - [ 0.0097176900000000, 0.0135309600000000, 0.0125578800000000 ] - [ -0.0062166800000000, 0.0126934800000000, -0.0081506500000000 ] - [ 0.0003589400000000, -0.0005199400000000, 0.0012549300000000 ] - [ 0.0005880300000000, -0.0041452100000000, -0.0024893100000000 ] - [ 0.0005187100000000, -0.0010298500000000, 0.0003798200000000 ] - [ 0.0000671500000000, -0.0024699900000000, 0.0057281500000000 ] - [ 0.0017146200000000, 0.0005651800000000, -0.0007976600000000 ] - [ -0.0005963500000000, -0.0024722900000000, 0.0060772400000000 ] - [ 0.0000549100000000, 0.0000316500000000, -0.0004943100000000 ] - [ -0.0003069200000000, 0.0001271000000000, -0.0025675500000000 ] - [ 0.0011046800000000, 0.0001576800000000, -0.0021885500000000 ] - [ -0.0001703000000000, 0.0000612200000000, -0.0003583000000000 ] - [ -0.0001291600000000, -0.0001593300000000, 0.0006705100000000 ] - [ -0.0007229500000000, 0.0008129700000000, -0.0000967200000000 ] - [ 0.0005069900000000, 0.0003178000000000, -0.0053286500000000 ] - [ -0.0016163800000000, -0.0044281900000000, -0.0023736400000000 ] - [ -0.0000675500000000, -0.0010787000000000, -0.0000876200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002704500000000, 0.0001056700000000, -0.0000131100000000 ] - [ -0.0012337900000000, -0.0022597800000000, 0.0008767500000000 ] - [ 0.0011862400000000, -0.0002454600000000, 0.0005741700000000 ] - [ 0.0048750400000000, -0.0027030100000000, -0.0013313300000000 ] - [ -0.0032227200000000, -0.0011266200000000, -0.0023620200000000 ] - [ -0.0064159600000000, -0.0022915600000000, 0.0004845000000000 ] - [ -0.0097554100000000, 0.0031727600000000, -0.0179631100000000 ] - [ 0.0012474500000000, 0.0030106000000000, -0.0004620400000000 ] - [ -0.0011370100000000, 0.0004157900000000, 0.0015141300000000 ] - [ 0.0005403000000000, 0.0004482300000000, -0.0000749800000000 ] - [ 0.0104946300000000, 0.0056174100000000, 0.0033276800000000 ] - [ 0.0012254900000000, 0.0007549100000000, -0.0000039600000000 ] - [ 0.0035898400000000, -0.0011096500000000, -0.0000027800000000 ] - [ 0.0240994400000000, 0.0339926000000000, 0.0024527700000000 ] - [ 0.0045044200000000, -0.0008021400000000, -0.0015246100000000 ] - [ -0.0032901700000000, -0.0005306600000000, 0.0025850800000000 ] - [ -0.4431623100000000, -0.0568164000000000, 0.0633303500000000 ] - [ -0.0042054200000000, 0.0008009800000000, 0.0010990000000000 ] - [ -0.0021248700000000, -0.0010192600000000, 0.0005232200000000 ] - [ 0.0019193500000000, -0.0026401600000000, 0.0038376500000000 ] - [ -0.0000826500000000, 0.0002964900000000, 0.0000761700000000 ] - [ 0.0005381500000000, 0.0001518700000000, 0.0009721600000000 ] - [ 0.0005564800000000, -0.0002312200000000, -0.0000235300000000 ] - [ -0.0063935900000000, 0.0043616100000000, 0.0024080000000000 ] - [ -0.0007124700000000, 0.0017906700000000, -0.0004542100000000 ] - [ -0.0081873600000000, 0.0060573600000000, -0.0005002100000000 ] - [ -0.0006963100000000, 0.0015856300000000, -0.0007775200000000 ] - [ 0.0036450300000000, -0.0010592700000000, -0.0018942400000000 ] - [ 0.0020428900000000, 0.0005132300000000, -0.0007210700000000 ] - [ 0.0002070600000000, 0.0001209700000000, 0.0009615400000000 ] - [ 0.0010469100000000, 0.0006632600000000, 0.0019897100000000 ] - [ -0.0016668200000000, -0.0029053400000000, 0.0008298700000000 ] - [ 0.0070046800000000, 0.0016093100000000, -0.0061455100000000 ] - [ -0.0021566200000000, -0.0017348600000000, -0.0023359400000000 ] - [ 0.0176652300000000, -0.0284731300000000, 0.0900665300000000 ] - [ 0.0017572400000000, 0.0046173900000000, -0.0079522500000000 ] - [ 0.0066758100000000, 0.0014737400000000, 0.0101817700000000 ] - [ 0.0122818200000000, 0.0020661900000000, -0.0016500700000000 ] - [ 0.0014123500000000, 0.0025570700000000, 0.0021808300000000 ] - [ 0.0029572000000000, -0.0120896900000000, 0.0088742200000000 ] - [ -0.0007221300000000, 0.0003014400000000, 0.0009129200000000 ] - [ -0.0043037400000000, 0.0002974100000000, -0.0002319000000000 ] - [ -0.0002171500000000, -0.0000363400000000, -0.0002259600000000 ] - [ -0.0005301700000000, -0.0000601700000000, -0.0002798000000000 ] - [ 0.0001821900000000, 0.0017227800000000, -0.0051761700000000 ] - [ -0.0008164700000000, -0.0003407800000000, -0.0001838200000000 ] - [ 0.0000129200000000, -0.0005170200000000, 0.0000158800000000 ] - [ 0.0024132700000000, -0.0011163000000000, -0.0006698500000000 ] - [ 0.0004145200000000, -0.0010844200000000, 0.0006260300000000 ] - [ -0.0007364800000000, 0.0002279800000000, 0.0004478300000000 ] - [ 0.0025853800000000, -0.0009156300000000, -0.0006172700000000 ] - [ 0.0009703900000000, 0.0001035400000000, 0.0001181100000000 ] - [ -0.0002562900000000, -0.0001864200000000, -0.0005762100000000 ] - [ 0.0039733400000000, -0.0127578700000000, -0.0005193000000000 ] - [ 0.0030638400000000, 0.0048267200000000, -0.0011192800000000 ] - [ 0.0753969800000000, -0.0632967400000000, -0.0564745100000000 ] - [ 0.0006474900000000, -0.0003965700000000, -0.0003934300000000 ] - [ 0.0013725800000000, 0.0008308600000000, -0.0001324400000000 ] - [ -0.0018285400000000, 0.0018666300000000, 0.0019464000000000 ] - [ -0.0002558000000000, 0.0006940200000000, -0.0009826400000000 ] - [ 0.0002812500000000, -0.0009353400000000, 0.0002072800000000 ] - [ 0.0002222800000000, 0.0003056400000000, 0.0002110900000000 ] - [ -0.0003402500000000, -0.0006608400000000, -0.0008081400000000 ] - [ 0.1398970800000000, 0.1328509600000000, -0.0073084800000000 ] - [ 0.0011972500000000, -0.0020313500000000, 0.0018893200000000 ] - [ 0.0009842200000000, -0.0020110800000000, -0.0009812300000000 ] - [ -0.0004415200000000, -0.0006225400000000, -0.0007239000000000 ] - [ 0.0010050900000000, -0.0011199200000000, 0.0002725500000000 ] - [ 0.0012758100000000, -0.0011378000000000, 0.0018511700000000 ] - [ 0.0012688000000000, 0.0001012600000000, 0.0006611300000000 ] - [ 0.0562707200000000, 0.0180584400000000, -0.0422171500000000 ] - [ 0.0009217200000000, -0.0008941300000000, -0.0009900900000000 ] - [ 0.0025267400000000, -0.0000127400000000, -0.0006244800000000 ] - [ 0.0018156500000000, 0.0011987000000000, -0.0006843600000000 ] - [ 0.0049646400000000, 0.0014010000000000, 0.0025499500000000 ] - [ 0.0012177400000000, -0.0011420700000000, -0.0000427100000000 ] - [ 0.0001697800000000, 0.0005414000000000, 0.0002791300000000 ] - [ 0.0012390000000000, 0.0001476600000000, -0.0013210200000000 ] - [ -0.0024497400000000, -0.0008553000000000, 0.0057766900000000 ] - [ 0.0154529000000000, -0.0090483700000000, -0.0181756000000000 ] - [ 0.0001209300000000, 0.0013103500000000, -0.0043246700000000 ] - [ 0.0032580900000000, 0.0008630400000000, -0.0009257600000000 ] - [ 0.1354102700000000, -0.0336278700000000, 0.0069050500000000 ] - [ 0.0000865600000000, -0.0003125800000000, -0.0012153000000000 ] - [ -0.0002697600000000, -0.0003408500000000, -0.0000878900000000 ] - [ -0.0003004800000000, -0.0000471700000000, 0.0026602600000000 ] - [ -0.0014965500000000, -0.0011003600000000, -0.0003207100000000 ] - [ 0.0000737100000000, 0.0000454500000000, 0.0000430500000000 ] - [ -0.0060046400000000, -0.0019056400000000, -0.0065461200000000 ] - [ 0.0005293300000000, 0.0224908100000000, -0.0162616900000000 ] - [ 0.0005090800000000, 0.0002311600000000, 0.0000401700000000 ] - [ -0.0008428900000000, -0.0010426400000000, -0.0021814200000000 ] - [ 0.0003470700000000, 0.0002886100000000, -0.0003544500000000 ] - [ -0.0034901400000000, -0.0001825900000000, 0.0006551400000000 ] - [ -0.0021367900000000, -0.0007907100000000, -0.0000570300000000 ] - [ -0.0011355400000000, 0.0009353000000000, 0.0003232600000000 ] - [ -0.0005870300000000, -0.0001902000000000, -0.0009607700000000 ] - [ -0.0008587700000000, -0.0000305500000000, -0.0006117700000000 ] - [ -0.0037361900000000, 0.0043914600000000, -0.0005633300000000 ] - [ 0.0008066400000000, 0.0022514800000000, -0.0003435900000000 ] - [ -0.0002588000000000, -0.0021718200000000, -0.0019595900000000 ] - [ -0.0142777500000000, -0.0001303700000000, -0.0133946200000000 ] - [ -0.0006058200000000, -0.0000636200000000, 0.0012914400000000 ] - [ -0.0011533900000000, -0.0009533200000000, -0.0000397200000000 ] - [ 0.0006654000000000, -0.0044335600000000, -0.0014288500000000 ] - [ -0.0043911800000000, -0.0016046800000000, 0.0010494600000000 ] - [ -0.0006494500000000, -0.0005621200000000, 0.0009837800000000 ] - [ -0.0035533600000000, 0.0008326700000000, -0.0010914900000000 ] - [ -0.0045410900000000, -0.0009094200000000, 0.0013309100000000 ] - [ -0.0003637700000000, 0.0001399900000000, 0.0000343500000000 ] - [ -0.0007843100000000, -0.0001609300000000, 0.0004775800000000 ] - [ -0.0006744200000000, -0.0004138800000000, 0.0014888500000000 ] - [ -0.0002932200000000, 0.0007798700000000, -0.0003105900000000 ] - [ -0.0005502100000000, -0.0009828000000000, -0.0005464700000000 ] - [ -0.0027727400000000, -0.0009088600000000, 0.0012708300000000 ] - [ -0.0057857000000000, -0.0053200000000000, 0.0062992000000000 ] - [ -0.0052193300000000, 0.0009009200000000, -0.0001015100000000 ] - [ 0.0000064000000000, -0.0000565200000000, -0.0006261500000000 ] - [ -0.0005764700000000, 0.0003129500000000, 0.0000111700000000 ] - [ -0.0001081100000000, 0.0000268000000000, 0.0001296000000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004258600000000, -0.0001041700000000, 0.0000129100000000 ] - [ 0.0010926700000000, 0.0022467500000000, -0.0008783700000000 ] - [ -0.0010323300000000, 0.0002434700000000, -0.0005752400000000 ] - [ -0.0050259800000000, 0.0026914400000000, 0.0013370400000000 ] - [ 0.0032222200000000, 0.0002934800000000, 0.0023493200000000 ] - [ 0.0064395300000000, 0.0031056300000000, -0.0004634900000000 ] - [ 0.0098101800000000, -0.0027674300000000, 0.0179455300000000 ] - [ -0.0000941000000000, -0.0029814800000000, 0.0004657000000000 ] - [ 0.0011401800000000, -0.0007999200000000, -0.0015024500000000 ] - [ -0.0017134300000000, -0.0004434400000000, 0.0000750400000000 ] - [ -0.0105086300000000, -0.0064715000000000, -0.0033020800000000 ] - [ -0.0012283600000000, 0.0000879100000000, 0.0000050900000000 ] - [ -0.0035875800000000, 0.0015012400000000, 0.0000030000000000 ] - [ -0.0228376400000000, -0.0341822300000000, -0.0024342000000000 ] - [ -0.0045028000000000, 0.0004018700000000, 0.0014951200000000 ] - [ 0.0021188200000000, 0.0005256400000000, -0.0025807500000000 ] - [ 0.4368913600000000, 0.0688746500000000, -0.0702263100000000 ] - [ 0.0035310900000000, 0.0000509200000000, -0.0006025200000000 ] - [ 0.0014492000000000, 0.0001632600000000, -0.0010111300000000 ] - [ -0.0026487500000000, 0.0025207200000000, -0.0043678000000000 ] - [ 0.0008376400000000, -0.0001419800000000, -0.0005438900000000 ] - [ -0.0005345900000000, 0.0004447800000000, -0.0008127600000000 ] - [ -0.0013059700000000, 0.0003953300000000, 0.0004878100000000 ] - [ 0.0063541300000000, -0.0049351000000000, -0.0022382600000000 ] - [ 0.0007107600000000, -0.0012006100000000, 0.0002917300000000 ] - [ 0.0088241300000000, -0.0068697700000000, 0.0009866100000000 ] - [ 0.0014270700000000, -0.0017241300000000, 0.0012301600000000 ] - [ -0.0036524200000000, 0.0004912600000000, 0.0017353000000000 ] - [ -0.0013614900000000, 0.0003494200000000, 0.0002346800000000 ] - [ -0.0008854500000000, 0.0007382700000000, -0.0004752400000000 ] - [ -0.0017252100000000, -0.0015177800000000, -0.0024806800000000 ] - [ 0.0008949200000000, 0.0027539400000000, -0.0012808400000000 ] - [ -0.0062616100000000, -0.0014907200000000, 0.0057000800000000 ] - [ 0.0021044500000000, 0.0023083800000000, 0.0024953900000000 ] - [ -0.0180497800000000, 0.0283755800000000, -0.0892668900000000 ] - [ -0.0017376800000000, -0.0052037300000000, 0.0080979200000000 ] - [ -0.0066701600000000, -0.0009229200000000, -0.0103471200000000 ] - [ -0.0116192600000000, -0.0029080100000000, 0.0021507900000000 ] - [ -0.0006478800000000, -0.0027150200000000, -0.0017110400000000 ] - [ -0.0029601500000000, 0.0114773100000000, -0.0090181600000000 ] - [ 0.0007193100000000, -0.0001889300000000, -0.0007728400000000 ] - [ 0.0055110000000000, 0.0001250500000000, 0.0005649000000000 ] - [ 0.0014057000000000, -0.0004106700000000, -0.0000748300000000 ] - [ -0.0006570400000000, 0.0005034300000000, -0.0000188900000000 ] - [ -0.0002688800000000, -0.0015381700000000, 0.0048604100000000 ] - [ -0.0003740400000000, -0.0001047500000000, 0.0004862100000000 ] - [ -0.0009224600000000, -0.0001911800000000, -0.0001396500000000 ] - [ -0.0014572000000000, 0.0007835800000000, 0.0009598200000000 ] - [ -0.0004030400000000, 0.0009632500000000, -0.0004820200000000 ] - [ 0.0004997700000000, -0.0004360000000000, 0.0002801100000000 ] - [ -0.0016985800000000, 0.0002107600000000, 0.0007298300000000 ] - [ -0.0004282700000000, -0.0000704800000000, 0.0002887700000000 ] - [ 0.0002514100000000, 0.0000671800000000, 0.0004349900000000 ] - [ -0.0049161800000000, 0.0130066300000000, 0.0008005700000000 ] - [ -0.0030000000000000, -0.0050083400000000, 0.0007988000000000 ] - [ -0.0748676600000000, 0.0642798000000000, 0.0565422900000000 ] - [ -0.0001206100000000, -0.0004690400000000, 0.0002800400000000 ] - [ -0.0003430400000000, -0.0005768200000000, 0.0002541300000000 ] - [ 0.0014726800000000, -0.0007830800000000, -0.0012093400000000 ] - [ 0.0000147900000000, -0.0005085800000000, 0.0002670000000000 ] - [ -0.0000423800000000, 0.0011289300000000, 0.0005192200000000 ] - [ 0.0007001300000000, 0.0004081500000000, -0.0003207200000000 ] - [ -0.0000150100000000, -0.0004338800000000, 0.0000614300000000 ] - [ -0.1434771900000000, -0.1397685700000000, 0.0074605100000000 ] - [ -0.0012636400000000, 0.0018506500000000, -0.0015583300000000 ] - [ -0.0015061500000000, 0.0011308100000000, 0.0010815600000000 ] - [ -0.0005902300000000, 0.0008784000000000, 0.0005946100000000 ] - [ -0.0006527800000000, 0.0000268600000000, 0.0004702900000000 ] - [ -0.0018112100000000, 0.0011610600000000, -0.0022437800000000 ] - [ -0.0011789300000000, 0.0000637800000000, -0.0003622400000000 ] - [ -0.0575764500000000, -0.0187029900000000, 0.0443553400000000 ] - [ -0.0006812100000000, 0.0006945300000000, 0.0002627800000000 ] - [ -0.0019971500000000, 0.0008739700000000, 0.0007333800000000 ] - [ -0.0008580600000000, -0.0008604600000000, 0.0003907900000000 ] - [ -0.0045855000000000, -0.0002889000000000, -0.0032643200000000 ] - [ -0.0012013900000000, 0.0012580300000000, -0.0001031800000000 ] - [ -0.0010967900000000, 0.0001746300000000, -0.0001654400000000 ] - [ -0.0007001900000000, -0.0001815600000000, 0.0009114200000000 ] - [ 0.0014177300000000, 0.0006045500000000, -0.0056775200000000 ] - [ -0.0144030700000000, 0.0087798000000000, 0.0180021200000000 ] - [ -0.0001225500000000, -0.0011896800000000, 0.0044680800000000 ] - [ -0.0020522800000000, -0.0004191100000000, 0.0012185500000000 ] - [ -0.1254715400000000, 0.0295536900000000, -0.0034981800000000 ] - [ -0.0012789200000000, 0.0007582900000000, 0.0009134200000000 ] - [ 0.0002098800000000, 0.0005182300000000, -0.0002372300000000 ] - [ -0.0008895900000000, -0.0003951200000000, -0.0023641600000000 ] - [ 0.0005657200000000, 0.0003830000000000, 0.0002085900000000 ] - [ 0.0008859400000000, -0.0003864200000000, 0.0002509000000000 ] - [ 0.0059778400000000, 0.0018028600000000, 0.0066762400000000 ] - [ -0.0007974800000000, -0.0226402700000000, 0.0169336300000000 ] - [ 0.0004266400000000, -0.0009505800000000, 0.0000690100000000 ] - [ 0.0013850800000000, 0.0010791200000000, 0.0025894100000000 ] - [ -0.0003435200000000, -0.0004060300000000, 0.0002094800000000 ] - [ 0.0025396100000000, 0.0004956000000000, -0.0003647900000000 ] - [ 0.0021944700000000, 0.0006054700000000, -0.0002725800000000 ] - [ 0.0006077900000000, -0.0000720500000000, -0.0004375000000000 ] - [ 0.0011151800000000, -0.0006735900000000, 0.0008526100000000 ] - [ 0.0018790600000000, 0.0002817200000000, 0.0007507700000000 ] - [ 0.0033900600000000, -0.0033006700000000, 0.0013068900000000 ] - [ -0.0010292700000000, -0.0020478800000000, -0.0003887300000000 ] - [ 0.0004912600000000, 0.0023783400000000, 0.0026882500000000 ] - [ 0.0153181500000000, 0.0008816600000000, 0.0133833700000000 ] - [ 0.0002735700000000, -0.0010138200000000, -0.0020203500000000 ] - [ 0.0001945200000000, 0.0006073200000000, -0.0002548400000000 ] - [ -0.0007137600000000, 0.0042385100000000, 0.0017419800000000 ] - [ 0.0038516000000000, 0.0007387300000000, -0.0009246800000000 ] - [ -0.0003691600000000, 0.0008087200000000, -0.0010936000000000 ] - [ 0.0038897600000000, -0.0019128300000000, 0.0018367500000000 ] - [ 0.0040100900000000, 0.0009409900000000, -0.0017519200000000 ] - [ 0.0004261600000000, 0.0000350200000000, 0.0002908600000000 ] - [ 0.0002413900000000, 0.0001251200000000, -0.0000717400000000 ] - [ 0.0009075000000000, 0.0002283800000000, -0.0022105100000000 ] - [ 0.0008202200000000, 0.0000834100000000, 0.0004244500000000 ] - [ 0.0015087100000000, 0.0013192700000000, 0.0002542600000000 ] - [ 0.0031142700000000, 0.0019964100000000, -0.0020110300000000 ] - [ 0.0057510800000000, 0.0054454300000000, -0.0064312200000000 ] - [ 0.0042897300000000, -0.0001780800000000, 0.0002081500000000 ] - [ 0.0005364800000000, 0.0000211900000000, 0.0002207700000000 ] - [ -0.0004495900000000, -0.0005683500000000, 0.0001135200000000 ] - [ 0.0011347600000000, -0.0002847600000000, -0.0002551200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000061000000000, 0.0008643100000000, 0.0004209800000000 ] - [ -0.0018784700000000, 0.0111771500000000, -0.0017233500000000 ] - [ 0.0001436500000000, -0.0003496200000000, -0.0002275200000000 ] - [ -0.0002297200000000, 0.0003793000000000, 0.0004240500000000 ] - [ 0.0000062500000000, 0.0052695200000000, -0.0017566500000000 ] - [ -0.0077907500000000, -0.0059412800000000, -0.0181722500000000 ] - [ -0.0024880700000000, -0.0048314800000000, 0.0396771700000000 ] - [ 0.0051919600000000, 0.0034090600000000, -0.0011653400000000 ] - [ 0.0001021500000000, 0.0043843800000000, 0.0011204300000000 ] - [ -0.0016884500000000, 0.0009771900000000, 0.0007318400000000 ] - [ -0.0017368000000000, -0.0074162600000000, -0.0009565000000000 ] - [ 0.0000719700000000, 0.0040978900000000, 0.0004537000000000 ] - [ 0.0003177700000000, 0.0046687300000000, -0.0004494400000000 ] - [ 0.0305506400000000, 0.0438854100000000, 0.0042208800000000 ] - [ 0.0014198500000000, -0.0054554200000000, 0.0002679400000000 ] - [ 0.0004683700000000, -0.0014931500000000, -0.0014562000000000 ] - [ -0.0556215900000000, -0.6716815900000001, -0.0115143700000000 ] - [ -0.0007158800000000, -0.0038322200000000, 0.0005270500000000 ] - [ -0.0009302200000000, 0.0015473300000000, -0.0005097700000000 ] - [ -0.0080495600000000, -0.0004667600000000, -0.0023245500000000 ] - [ 0.0000168900000000, 0.0055556000000000, 0.0002317600000000 ] - [ -0.0003897900000000, 0.0038881700000000, -0.0013116800000000 ] - [ -0.0007660900000000, 0.0056918200000000, 0.0003586100000000 ] - [ 0.0108448900000000, 0.0029312600000000, 0.0047417400000000 ] - [ 0.0004510300000000, 0.0050650300000000, -0.0031233100000000 ] - [ -0.0061138500000000, 0.0145870600000000, 0.0009167200000000 ] - [ 0.0038048400000000, 0.0005854600000000, -0.0029266600000000 ] - [ -0.0080182500000000, 0.0028508900000000, 0.0028711900000000 ] - [ 0.0004195300000000, 0.0055152000000000, -0.0003293700000000 ] - [ -0.0000272000000000, 0.0033385500000000, 0.0002042200000000 ] - [ 0.0007540700000000, -0.0027327800000000, -0.0008039900000000 ] - [ -0.0025269000000000, 0.0040179100000000, 0.0033645000000000 ] - [ 0.0001235900000000, -0.0066537700000000, -0.0024013100000000 ] - [ 0.0015950800000000, -0.0084291600000000, 0.0056959200000000 ] - [ -0.0107994400000000, -0.0022973400000000, -0.0374740400000000 ] - [ 0.0008900500000000, 0.0039207300000000, -0.0122749800000000 ] - [ 0.0029782400000000, -0.0053072100000000, 0.0135479600000000 ] - [ -0.0021492100000000, -0.0078025300000000, 0.0017696100000000 ] - [ 0.0012636100000000, 0.0028652300000000, 0.0022639100000000 ] - [ -0.0021752900000000, 0.0052076800000000, -0.0067197400000000 ] - [ 0.0017367200000000, -0.0014734500000000, -0.0021665100000000 ] - [ 0.0041029500000000, 0.0019943100000000, 0.0000060300000000 ] - [ 0.0013031000000000, -0.0019320700000000, 0.0004345100000000 ] - [ -0.0019241300000000, 0.0009629000000000, 0.0011778100000000 ] - [ 0.0037779600000000, 0.0080353700000000, -0.0045997900000000 ] - [ -0.0011260600000000, -0.0014338500000000, -0.0004303700000000 ] - [ -0.0023383700000000, -0.0010984300000000, 0.0022569000000000 ] - [ -0.0004593200000000, 0.0022223200000000, 0.0004831300000000 ] - [ -0.0012727700000000, -0.0027206700000000, 0.0026193400000000 ] - [ 0.0008544500000000, -0.0035819200000000, 0.0008053100000000 ] - [ 0.0058934200000000, -0.0011775200000000, 0.0030504400000000 ] - [ 0.0003571300000000, -0.0010668400000000, 0.0005703000000000 ] - [ 0.0002469100000000, -0.0008121200000000, 0.0000094800000000 ] - [ 0.0037154400000000, -0.0157352400000000, -0.0009077600000000 ] - [ -0.0001902700000000, -0.0022157500000000, 0.0010603500000000 ] - [ -0.0670455800000000, 0.2223189800000000, 0.1510825000000000 ] - [ 0.0005217900000000, -0.0018114200000000, 0.0002810900000000 ] - [ 0.0000303300000000, -0.0016290500000000, -0.0010581400000000 ] - [ 0.0064583600000000, -0.0034855700000000, -0.0047242300000000 ] - [ 0.0008767100000000, -0.0020209100000000, 0.0006254700000000 ] - [ -0.0003213500000000, -0.0010641800000000, 0.0007093900000000 ] - [ -0.0000378400000000, -0.0023213000000000, -0.0005186700000000 ] - [ -0.0006181100000000, -0.0024751200000000, 0.0000650900000000 ] - [ 0.1366401100000000, 0.2467443000000000, -0.0106276500000000 ] - [ 0.0007850000000000, -0.0031984800000000, 0.0024325600000000 ] - [ -0.0001569500000000, -0.0060726200000000, -0.0019801400000000 ] - [ -0.0004968200000000, -0.0013321700000000, -0.0007949900000000 ] - [ 0.0010999900000000, -0.0026746900000000, 0.0008428200000000 ] - [ 0.0006460800000000, -0.0037499100000000, 0.0017450900000000 ] - [ -0.0036872000000000, 0.0076724300000000, 0.0042937200000000 ] - [ 0.0194728400000000, 0.0963349100000000, -0.1172491600000000 ] - [ -0.0011505700000000, -0.0042228300000000, -0.0022636700000000 ] - [ 0.0004757500000000, 0.0028081100000000, -0.0018587800000000 ] - [ 0.0002349700000000, -0.0003759900000000, 0.0000223100000000 ] - [ -0.0060578200000000, -0.0035327000000000, -0.0059569200000000 ] - [ -0.0034653500000000, -0.0020625600000000, -0.0014246800000000 ] - [ 0.0002554900000000, -0.0018802000000000, 0.0002878500000000 ] - [ 0.0008130100000000, 0.0016825800000000, 0.0001932800000000 ] - [ 0.0051275700000000, 0.0091648200000000, -0.0029896200000000 ] - [ -0.0112291600000000, 0.0139185400000000, 0.0037068500000000 ] - [ -0.0001525700000000, 0.0002989400000000, 0.0030510100000000 ] - [ 0.0020477800000000, -0.0016885000000000, -0.0015511700000000 ] - [ -0.0362046100000000, 0.0563802900000000, -0.0043792100000000 ] - [ -0.0001399300000000, -0.0005435900000000, -0.0009508700000000 ] - [ -0.0012779000000000, -0.0024966400000000, 0.0003275200000000 ] - [ 0.0006341600000000, 0.0013555200000000, 0.0003149000000000 ] - [ -0.0012010100000000, -0.0015531000000000, -0.0004163900000000 ] - [ 0.0012174400000000, -0.0018739700000000, 0.0000723100000000 ] - [ -0.0070255200000000, -0.0010900300000000, -0.0111116900000000 ] - [ 0.0028607200000000, -0.0019168300000000, 0.0065032600000000 ] - [ 0.0019357600000000, -0.0019059900000000, -0.0008339200000000 ] - [ 0.0001644100000000, 0.0013841900000000, 0.0007738900000000 ] - [ -0.0007281400000000, 0.0018086600000000, -0.0003246400000000 ] - [ -0.0018247800000000, 0.0019886100000000, 0.0000001700000000 ] - [ 0.0022545600000000, 0.0012482300000000, -0.0006681100000000 ] - [ -0.0000419500000000, -0.0018482800000000, -0.0006566100000000 ] - [ -0.0002106500000000, 0.0010758300000000, -0.0003149000000000 ] - [ 0.0027306100000000, 0.0022041700000000, 0.0010163800000000 ] - [ 0.0015516000000000, -0.0018263600000000, 0.0012281600000000 ] - [ 0.0015945100000000, 0.0003869600000000, -0.0041497400000000 ] - [ 0.0001532600000000, -0.0008975700000000, -0.0020320100000000 ] - [ 0.0063175600000000, 0.0015588200000000, 0.0068356500000000 ] - [ -0.0000786800000000, 0.0017229300000000, -0.0012925600000000 ] - [ -0.0020852700000000, -0.0032416600000000, -0.0000614600000000 ] - [ -0.0032096100000000, 0.0028074000000000, -0.0003101900000000 ] - [ 0.0003404500000000, 0.0028907300000000, 0.0002643900000000 ] - [ -0.0020994100000000, 0.0009928700000000, 0.0008022400000000 ] - [ -0.0021326800000000, 0.0021849800000000, -0.0016561000000000 ] - [ 0.0003729600000000, 0.0026418500000000, -0.0011386800000000 ] - [ 0.0007636100000000, -0.0016810300000000, 0.0002423800000000 ] - [ -0.0004401400000000, -0.0016194500000000, 0.0005347700000000 ] - [ 0.0001042900000000, 0.0043701300000000, 0.0024794500000000 ] - [ -0.0000269900000000, -0.0010426000000000, 0.0008938400000000 ] - [ 0.0007173200000000, 0.0008490600000000, -0.0001432500000000 ] - [ -0.0017975000000000, -0.0014145200000000, 0.0021690800000000 ] - [ -0.0069423400000000, -0.0071147300000000, 0.0092281800000000 ] - [ 0.0004399600000000, 0.0024243800000000, 0.0003043400000000 ] - [ 0.0002026400000000, -0.0010204000000000, -0.0004869600000000 ] - [ -0.0012243500000000, -0.0022842400000000, 0.0004362100000000 ] - [ 0.0012792000000000, -0.0022073000000000, -0.0003993200000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001590600000000, -0.0008670100000000, -0.0004237000000000 ] - [ 0.0017000000000000, -0.0110965700000000, 0.0017228200000000 ] - [ 0.0000118700000000, 0.0003529300000000, 0.0002254900000000 ] - [ 0.0000800800000000, -0.0003684400000000, -0.0004203600000000 ] - [ -0.0000121100000000, -0.0060969900000000, 0.0017693700000000 ] - [ 0.0077613800000000, 0.0067030100000000, 0.0181150600000000 ] - [ 0.0024491600000000, 0.0052054500000000, -0.0395812700000000 ] - [ -0.0039868700000000, -0.0034096700000000, 0.0011667200000000 ] - [ -0.0001095500000000, -0.0047674600000000, -0.0011364200000000 ] - [ 0.0005156800000000, -0.0009826200000000, -0.0007379200000000 ] - [ 0.0017294000000000, 0.0065455600000000, 0.0009482700000000 ] - [ -0.0000646300000000, -0.0032522800000000, -0.0004586800000000 ] - [ -0.0003125600000000, -0.0042659200000000, 0.0004522300000000 ] - [ -0.0296940700000000, -0.0440238300000000, -0.0042138000000000 ] - [ -0.0014191400000000, 0.0050526500000000, -0.0002616500000000 ] - [ -0.0016433500000000, 0.0015036100000000, 0.0014546400000000 ] - [ 0.0702108200000000, 0.6781841000000000, 0.0022810700000000 ] - [ 0.0000339100000000, 0.0046851700000000, -0.0000520300000000 ] - [ 0.0002523100000000, -0.0023929200000000, 0.0000192900000000 ] - [ 0.0072605000000000, 0.0002941400000000, 0.0018654900000000 ] - [ 0.0007453100000000, -0.0054003400000000, -0.0006916500000000 ] - [ 0.0003747000000000, -0.0033084200000000, 0.0014655600000000 ] - [ -0.0000040600000000, -0.0055428200000000, 0.0001165900000000 ] - [ -0.0108224600000000, -0.0035491900000000, -0.0045355100000000 ] - [ -0.0004360000000000, -0.0044751100000000, 0.0029303400000000 ] - [ 0.0068133000000000, -0.0154633700000000, -0.0004193800000000 ] - [ -0.0030303500000000, -0.0007582900000000, 0.0033830500000000 ] - [ 0.0080149900000000, -0.0034494300000000, -0.0030286300000000 ] - [ 0.0002565400000000, -0.0046475100000000, -0.0001539000000000 ] - [ -0.0006450300000000, -0.0024795000000000, 0.0002784200000000 ] - [ -0.0014268300000000, 0.0018657900000000, 0.0003063700000000 ] - [ 0.0017813500000000, -0.0041763900000000, -0.0038445300000000 ] - [ 0.0006305400000000, 0.0068093000000000, 0.0019237500000000 ] - [ -0.0015985300000000, 0.0090590600000000, -0.0055511700000000 ] - [ 0.0100843000000000, 0.0026190600000000, 0.0379123900000000 ] - [ -0.0008939300000000, -0.0044758700000000, 0.0124298500000000 ] - [ -0.0029734000000000, 0.0058935700000000, -0.0136927100000000 ] - [ 0.0028252100000000, 0.0069056500000000, -0.0012655200000000 ] - [ -0.0005076700000000, -0.0029973700000000, -0.0018016700000000 ] - [ 0.0021784900000000, -0.0057908700000000, 0.0065684300000000 ] - [ -0.0017438700000000, 0.0015969200000000, 0.0023173400000000 ] - [ -0.0028979000000000, -0.0015339300000000, 0.0002868000000000 ] - [ -0.0001086500000000, 0.0014856600000000, -0.0007393900000000 ] - [ 0.0007248800000000, -0.0005118300000000, -0.0014715500000000 ] - [ -0.0038471100000000, -0.0078676600000000, 0.0042723200000000 ] - [ -0.0000677500000000, 0.0009875600000000, 0.0007305600000000 ] - [ 0.0014047400000000, 0.0003978000000000, -0.0023588500000000 ] - [ 0.0014190700000000, -0.0025629800000000, -0.0001869200000000 ] - [ 0.0012618700000000, 0.0025919300000000, -0.0024604600000000 ] - [ -0.0010899300000000, 0.0033930000000000, -0.0000871100000000 ] - [ -0.0049461800000000, 0.0004827600000000, -0.0029244300000000 ] - [ 0.0001856600000000, 0.0010977200000000, -0.0001654700000000 ] - [ -0.0002476800000000, 0.0006990700000000, -0.0001450700000000 ] - [ -0.0046578400000000, 0.0161060800000000, 0.0012016100000000 ] - [ 0.0002479800000000, 0.0020294100000000, -0.0013879800000000 ] - [ 0.0626452200000000, -0.2139864200000000, -0.1418823300000000 ] - [ 0.0000074600000000, 0.0009427200000000, -0.0003885300000000 ] - [ 0.0009967500000000, 0.0018830500000000, 0.0011889000000000 ] - [ -0.0068259200000000, 0.0046139300000000, 0.0054741200000000 ] - [ -0.0011085000000000, 0.0022273000000000, -0.0013508600000000 ] - [ 0.0005537100000000, 0.0012750700000000, 0.0000262600000000 ] - [ 0.0009737500000000, 0.0030363600000000, 0.0004016200000000 ] - [ 0.0002774600000000, 0.0013850600000000, -0.0008021500000000 ] - [ -0.1481038100000000, -0.2594565600000000, 0.0111459000000000 ] - [ -0.0008317900000000, 0.0030032800000000, -0.0021085100000000 ] - [ -0.0003734800000000, 0.0051997300000000, 0.0020971000000000 ] - [ -0.0005236800000000, 0.0015791600000000, 0.0006756800000000 ] - [ -0.0007537000000000, 0.0015837000000000, -0.0000915300000000 ] - [ -0.0011875900000000, 0.0037822500000000, -0.0021592700000000 ] - [ 0.0037660900000000, -0.0075223200000000, -0.0039953800000000 ] - [ -0.0197172000000000, -0.0971397200000000, 0.1159782300000000 ] - [ 0.0013854700000000, 0.0040279000000000, 0.0015314000000000 ] - [ 0.0000518000000000, -0.0019383800000000, 0.0019803500000000 ] - [ 0.0007205700000000, 0.0007061300000000, -0.0003145400000000 ] - [ 0.0064185400000000, 0.0046552700000000, 0.0052076100000000 ] - [ 0.0034487400000000, 0.0021821000000000, 0.0012538000000000 ] - [ -0.0011871800000000, 0.0025968800000000, -0.0001799500000000 ] - [ -0.0002704200000000, -0.0017112800000000, -0.0005931000000000 ] - [ -0.0061505100000000, -0.0094226300000000, 0.0030973400000000 ] - [ 0.0122313400000000, -0.0141578100000000, -0.0037878200000000 ] - [ 0.0001486700000000, -0.0001876600000000, -0.0029136200000000 ] - [ -0.0008631100000000, 0.0021347300000000, 0.0018604100000000 ] - [ 0.0379367200000000, -0.0567725800000000, 0.0042138000000000 ] - [ -0.0010492800000000, 0.0009841000000000, 0.0006502700000000 ] - [ 0.0012096300000000, 0.0026693100000000, -0.0006468900000000 ] - [ -0.0018224900000000, -0.0017995300000000, 0.0000025000000000 ] - [ 0.0002686700000000, 0.0008289100000000, 0.0003062100000000 ] - [ -0.0002612400000000, 0.0015375400000000, 0.0002228300000000 ] - [ 0.0070073200000000, 0.0009501500000000, 0.0112267400000000 ] - [ -0.0031191900000000, 0.0016704900000000, -0.0057865500000000 ] - [ -0.0010150000000000, 0.0011878400000000, 0.0009479100000000 ] - [ 0.0003771300000000, -0.0013430400000000, -0.0003592600000000 ] - [ 0.0007279200000000, -0.0019364600000000, 0.0001857200000000 ] - [ 0.0008540400000000, -0.0016311900000000, 0.0002908000000000 ] - [ -0.0021930800000000, -0.0014201900000000, 0.0003439200000000 ] - [ -0.0004852800000000, 0.0027060100000000, 0.0005396900000000 ] - [ 0.0007367100000000, -0.0019368800000000, 0.0002044400000000 ] - [ -0.0016934600000000, -0.0019404300000000, -0.0008904700000000 ] - [ -0.0019008800000000, 0.0029114500000000, -0.0004850500000000 ] - [ -0.0018419300000000, -0.0001932400000000, 0.0034497700000000 ] - [ 0.0000820600000000, 0.0010808400000000, 0.0027507000000000 ] - [ -0.0053128300000000, -0.0008453900000000, -0.0068716200000000 ] - [ -0.0002710600000000, -0.0028199900000000, 0.0005472800000000 ] - [ 0.0011217300000000, 0.0028984500000000, -0.0002335900000000 ] - [ 0.0031390000000000, -0.0029656000000000, 0.0006308400000000 ] - [ -0.0008636100000000, -0.0037453800000000, -0.0001567600000000 ] - [ 0.0010677700000000, -0.0007277300000000, -0.0009289200000000 ] - [ 0.0024711700000000, -0.0032712800000000, 0.0023961000000000 ] - [ -0.0009164900000000, -0.0025961700000000, 0.0007254700000000 ] - [ -0.0007001000000000, 0.0018589800000000, 0.0000843300000000 ] - [ -0.0001029200000000, 0.0015824800000000, -0.0001302600000000 ] - [ 0.0001299400000000, -0.0045865800000000, -0.0032045600000000 ] - [ 0.0005523800000000, 0.0019029300000000, -0.0007786500000000 ] - [ 0.0002414500000000, -0.0005056800000000, -0.0001472600000000 ] - [ 0.0021365000000000, 0.0024919500000000, -0.0029068000000000 ] - [ 0.0069243100000000, 0.0071976700000000, -0.0093458000000000 ] - [ -0.0013745900000000, -0.0017076800000000, -0.0001876100000000 ] - [ 0.0003380800000000, 0.0009846200000000, 0.0000858400000000 ] - [ 0.0001955100000000, 0.0020271700000000, -0.0003138100000000 ] - [ -0.0002489100000000, 0.0019498900000000, 0.0002715200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002106300000000, -0.0000067400000000, 0.0023301000000000 ] - [ 0.0005113000000000, 0.0003778500000000, -0.0057869500000000 ] - [ 0.0000192100000000, 0.0000895300000000, 0.0018761000000000 ] - [ 0.0011779400000000, -0.0007446500000000, -0.0024247700000000 ] - [ -0.0009327400000000, -0.0010498300000000, -0.0000631100000000 ] - [ 0.0141226800000000, -0.0057623100000000, 0.0540780500000000 ] - [ -0.0099205900000000, 0.0158651900000000, 0.0382505100000000 ] - [ 0.0007941600000000, -0.0005415800000000, -0.0060129900000000 ] - [ 0.0003719500000000, -0.0005812100000000, -0.0002608000000000 ] - [ -0.0010045700000000, -0.0002447500000000, 0.0036246000000000 ] - [ 0.0033468300000000, 0.0016773700000000, 0.0018550900000000 ] - [ -0.0003446300000000, 0.0004239200000000, 0.0000385400000000 ] - [ 0.0010465500000000, -0.0009188800000000, 0.0001547300000000 ] - [ 0.0010815500000000, 0.0020956300000000, -0.0027465500000000 ] - [ -0.0019811100000000, -0.0000188000000000, 0.0000841600000000 ] - [ -0.0001788400000000, 0.0002855800000000, 0.0071448000000000 ] - [ 0.0658190200000000, -0.0163776400000000, -0.7576033700000000 ] - [ 0.0005092600000000, 0.0001372500000000, 0.0133431100000000 ] - [ -0.0011074200000000, -0.0001686600000000, 0.0026938900000000 ] - [ 0.0136962400000000, -0.0034704800000000, -0.0067437800000000 ] - [ 0.0004764900000000, 0.0027785500000000, 0.0016764500000000 ] - [ -0.0001004900000000, -0.0026589900000000, 0.0027147700000000 ] - [ -0.0006596800000000, 0.0023839700000000, -0.0010040100000000 ] - [ 0.0079493500000000, 0.0084594400000000, 0.0000813200000000 ] - [ -0.0002074200000000, -0.0033494100000000, -0.0010294300000000 ] - [ 0.0010731700000000, 0.0002442000000000, -0.0029999900000000 ] - [ -0.0084382400000000, -0.0053354200000000, 0.0095377000000000 ] - [ -0.0060878700000000, 0.0046147100000000, 0.0030967500000000 ] - [ -0.0001403300000000, 0.0003372000000000, -0.0030148800000000 ] - [ 0.0003805900000000, 0.0004643700000000, 0.0031381400000000 ] - [ -0.0025745500000000, 0.0001339100000000, 0.0078422600000000 ] - [ -0.0012557600000000, 0.0057697900000000, -0.0028035800000000 ] - [ -0.0051464800000000, -0.0060746700000000, 0.0083562100000000 ] - [ -0.0108586300000000, 0.0147590900000000, 0.0047909500000000 ] - [ 0.0375747900000000, -0.0255874100000000, 0.0347839500000000 ] - [ -0.0009513800000000, -0.0021693100000000, -0.0028953100000000 ] - [ 0.0096080200000000, 0.0130408900000000, -0.0013107700000000 ] - [ 0.0022384600000000, 0.0010951900000000, -0.0087107500000000 ] - [ 0.0009190300000000, 0.0035225500000000, 0.0016785400000000 ] - [ 0.0023203700000000, -0.0079209500000000, 0.0070690100000000 ] - [ 0.0014187200000000, -0.0016353800000000, -0.0032196000000000 ] - [ -0.0027999900000000, -0.0004567600000000, 0.0053917800000000 ] - [ 0.0012093900000000, -0.0006750500000000, 0.0011284100000000 ] - [ 0.0025793600000000, -0.0005387300000000, -0.0053100900000000 ] - [ -0.0125801900000000, -0.0105786700000000, -0.0043380600000000 ] - [ -0.0013453100000000, -0.0008041200000000, -0.0014808300000000 ] - [ 0.0048245500000000, 0.0042020100000000, -0.0073811900000000 ] - [ -0.0000227900000000, 0.0004138500000000, -0.0037797100000000 ] - [ 0.0009339700000000, 0.0017242200000000, 0.0018853400000000 ] - [ 0.0006884900000000, -0.0025030600000000, 0.0011032000000000 ] - [ -0.0137351000000000, 0.0076664300000000, -0.0029189600000000 ] - [ 0.0005853800000000, -0.0002520900000000, -0.0016758700000000 ] - [ -0.0003918000000000, 0.0003386200000000, -0.0021065600000000 ] - [ -0.0004050500000000, 0.0002928500000000, 0.0011824000000000 ] - [ 0.0011894600000000, 0.0022742400000000, -0.0010939600000000 ] - [ -0.0624057500000000, 0.1563551700000000, 0.2103579500000000 ] - [ 0.0002643500000000, -0.0001964000000000, -0.0013492800000000 ] - [ 0.0000240100000000, -0.0011678600000000, 0.0001898600000000 ] - [ 0.0049085200000000, -0.0036336400000000, -0.0033198300000000 ] - [ -0.0022947000000000, 0.0040078800000000, -0.0002631900000000 ] - [ 0.0012390300000000, 0.0033828300000000, 0.0004757100000000 ] - [ 0.0004346700000000, -0.0002985300000000, 0.0000969600000000 ] - [ 0.0001434600000000, 0.0003504400000000, -0.0004823600000000 ] - [ -0.0089619600000000, -0.0123789300000000, 0.0531968100000000 ] - [ -0.0000010000000000, 0.0004442400000000, 0.0005713300000000 ] - [ -0.0004472400000000, -0.0005839900000000, 0.0015731400000000 ] - [ -0.0002713100000000, -0.0006975600000000, -0.0000866500000000 ] - [ -0.0003928200000000, 0.0005440900000000, 0.0003931200000000 ] - [ -0.0003248200000000, -0.0002690200000000, 0.0017073700000000 ] - [ 0.0074796400000000, -0.0091199500000000, -0.0102220100000000 ] - [ -0.0426500800000000, -0.1144592600000000, 0.3700854300000000 ] - [ -0.0009143200000000, -0.0036210600000000, -0.0019031100000000 ] - [ 0.0014431600000000, 0.0012163100000000, -0.0070838400000000 ] - [ 0.0006259500000000, 0.0001258300000000, -0.0015122100000000 ] - [ -0.0046550000000000, -0.0054560800000000, -0.0040604600000000 ] - [ -0.0021608200000000, -0.0024253200000000, 0.0032254900000000 ] - [ -0.0001911700000000, -0.0002304700000000, -0.0002988300000000 ] - [ -0.0007893900000000, -0.0008768900000000, -0.0088982900000000 ] - [ 0.0070667400000000, 0.0048089200000000, -0.0068879000000000 ] - [ -0.0064479100000000, 0.0041205800000000, -0.0088253900000000 ] - [ 0.0000136000000000, 0.0008743100000000, -0.0043334400000000 ] - [ -0.0003044000000000, -0.0007945500000000, 0.0023738600000000 ] - [ 0.0236467100000000, -0.0075171100000000, 0.0516866400000000 ] - [ 0.0001672300000000, -0.0005961400000000, -0.0017983000000000 ] - [ 0.0008157400000000, 0.0012694100000000, -0.0001034000000000 ] - [ -0.0015262000000000, -0.0002030500000000, -0.0058322800000000 ] - [ -0.0011333500000000, -0.0012398200000000, -0.0001809800000000 ] - [ 0.0003159700000000, -0.0000214300000000, -0.0008608800000000 ] - [ -0.0001044600000000, -0.0028843600000000, 0.0048620100000000 ] - [ -0.0015982400000000, 0.0103150300000000, -0.0049724800000000 ] - [ 0.0016116000000000, -0.0016474800000000, 0.0003431300000000 ] - [ 0.0002289200000000, -0.0010677000000000, -0.0049429300000000 ] - [ 0.0012039500000000, -0.0040722300000000, -0.0051555300000000 ] - [ -0.0008794100000000, 0.0003726300000000, 0.0026603400000000 ] - [ 0.0013589500000000, -0.0005570800000000, -0.0009318800000000 ] - [ -0.0004169300000000, 0.0009282800000000, 0.0012199900000000 ] - [ 0.0006548600000000, 0.0000406000000000, -0.0037306000000000 ] - [ -0.0027940400000000, -0.0004911100000000, 0.0004483300000000 ] - [ -0.0023584400000000, 0.0028891500000000, -0.0003706700000000 ] - [ 0.0013183300000000, -0.0057321400000000, 0.0009784100000000 ] - [ -0.0009207500000000, -0.0050553300000000, -0.0014528700000000 ] - [ -0.0064170300000000, 0.0005920800000000, -0.0020896300000000 ] - [ 0.0029618300000000, -0.0020018800000000, -0.0006405600000000 ] - [ -0.0003911600000000, -0.0000736400000000, 0.0010396200000000 ] - [ -0.0023023100000000, -0.0017774000000000, -0.0001219800000000 ] - [ -0.0002065600000000, -0.0001663000000000, 0.0041442100000000 ] - [ 0.0025588300000000, 0.0010131100000000, -0.0026170800000000 ] - [ -0.0031595300000000, -0.0018831300000000, 0.0000443600000000 ] - [ -0.0009185200000000, -0.0013322300000000, 0.0046754200000000 ] - [ -0.0003686200000000, 0.0008512000000000, -0.0002103600000000 ] - [ -0.0000798500000000, -0.0002800700000000, 0.0019721900000000 ] - [ 0.0009476500000000, 0.0033381400000000, -0.0003775100000000 ] - [ 0.0000847600000000, 0.0008189200000000, -0.0013580800000000 ] - [ 0.0013243500000000, 0.0006771200000000, -0.0021275800000000 ] - [ 0.0003357400000000, 0.0010615800000000, -0.0000302800000000 ] - [ -0.0012911200000000, -0.0004318400000000, 0.0024991700000000 ] - [ 0.0013590300000000, 0.0012336300000000, -0.0014662900000000 ] - [ 0.0001506400000000, -0.0003153200000000, -0.0020046100000000 ] - [ -0.0008409000000000, -0.0005325200000000, -0.0000933300000000 ] - [ 0.0007259100000000, -0.0005854900000000, -0.0000389900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000558900000000, 0.0000109900000000, -0.0023266200000000 ] - [ -0.0006609800000000, -0.0004022900000000, 0.0057868300000000 ] - [ 0.0001347300000000, -0.0000925200000000, -0.0018769200000000 ] - [ -0.0013391000000000, 0.0007506700000000, 0.0024280700000000 ] - [ 0.0009329800000000, 0.0002070000000000, 0.0000527800000000 ] - [ -0.0141262500000000, 0.0068086700000000, -0.0543697400000000 ] - [ 0.0097908900000000, -0.0152115600000000, -0.0379531900000000 ] - [ 0.0003633400000000, 0.0005231100000000, 0.0060066600000000 ] - [ -0.0003699600000000, 0.0001805700000000, 0.0002724400000000 ] - [ -0.0001661400000000, 0.0002494100000000, -0.0036227400000000 ] - [ -0.0033519200000000, -0.0025107400000000, -0.0018750500000000 ] - [ 0.0003429100000000, 0.0004050000000000, -0.0000337200000000 ] - [ -0.0010453000000000, 0.0013042800000000, -0.0001595600000000 ] - [ 0.0000510000000000, -0.0021806500000000, 0.0027408900000000 ] - [ 0.0019816300000000, -0.0003511300000000, -0.0000690500000000 ] - [ -0.0009896900000000, -0.0003071700000000, -0.0071474100000000 ] - [ -0.0679573900000000, -0.0028184400000000, 0.7752698000000000 ] - [ -0.0011935500000000, 0.0007158000000000, -0.0128369300000000 ] - [ 0.0004285100000000, -0.0006992300000000, -0.0031824500000000 ] - [ -0.0144814200000000, 0.0033296500000000, 0.0063089200000000 ] - [ 0.0002803600000000, -0.0026211800000000, -0.0021471400000000 ] - [ 0.0000980700000000, 0.0032386500000000, -0.0025387000000000 ] - [ -0.0000926500000000, -0.0022331600000000, 0.0014617500000000 ] - [ -0.0079102700000000, -0.0090132000000000, 0.0000320000000000 ] - [ 0.0002079100000000, 0.0039210700000000, 0.0008860000000000 ] - [ -0.0004150100000000, -0.0010937400000000, 0.0034854800000000 ] - [ 0.0091768500000000, 0.0051985000000000, -0.0090527500000000 ] - [ 0.0060790700000000, -0.0051845100000000, -0.0032698300000000 ] - [ 0.0008167100000000, 0.0005109700000000, 0.0025302700000000 ] - [ -0.0010575400000000, 0.0003888400000000, -0.0026512300000000 ] - [ 0.0018969800000000, -0.0009773200000000, -0.0083196600000000 ] - [ 0.0004978800000000, -0.0059502600000000, 0.0023559100000000 ] - [ 0.0058408200000000, 0.0061693800000000, -0.0087833500000000 ] - [ 0.0109175900000000, -0.0142349500000000, -0.0046237900000000 ] - [ -0.0378752500000000, 0.0254615300000000, -0.0345384800000000 ] - [ 0.0009513200000000, 0.0015655700000000, 0.0030312600000000 ] - [ -0.0096821000000000, -0.0125435200000000, 0.0011677900000000 ] - [ -0.0015644700000000, -0.0019405600000000, 0.0091931500000000 ] - [ -0.0001624300000000, -0.0036951100000000, -0.0012078300000000 ] - [ -0.0023288900000000, 0.0073208300000000, -0.0072459800000000 ] - [ -0.0014230100000000, 0.0017531600000000, 0.0033683300000000 ] - [ 0.0039868900000000, 0.0009016200000000, -0.0051013600000000 ] - [ -0.0000196800000000, 0.0002323200000000, -0.0014285200000000 ] - [ -0.0037645500000000, 0.0009758700000000, 0.0049929300000000 ] - [ 0.0126123700000000, 0.0108222300000000, 0.0040439800000000 ] - [ 0.0001539400000000, 0.0003597700000000, 0.0017844600000000 ] - [ -0.0057424900000000, -0.0049084700000000, 0.0072303300000000 ] - [ 0.0009813400000000, -0.0007449400000000, 0.0040672300000000 ] - [ -0.0009250000000000, -0.0018317700000000, -0.0017544600000000 ] - [ -0.0009229100000000, 0.0022983000000000, -0.0003706200000000 ] - [ 0.0146892800000000, -0.0084053900000000, 0.0030306600000000 ] - [ -0.0000436200000000, 0.0002890000000000, 0.0020842300000000 ] - [ 0.0003879800000000, -0.0004579300000000, 0.0019571100000000 ] - [ -0.0005486600000000, 0.0000095300000000, -0.0008949300000000 ] - [ -0.0011281000000000, -0.0024549100000000, 0.0007753900000000 ] - [ 0.0587764100000000, -0.1471850800000000, -0.2058198000000000 ] - [ 0.0002629900000000, -0.0006648700000000, 0.0012337200000000 ] - [ 0.0010056900000000, 0.0014303900000000, -0.0000684900000000 ] - [ -0.0052519500000000, 0.0047104000000000, 0.0040847300000000 ] - [ 0.0020565300000000, -0.0037986700000000, -0.0004665800000000 ] - [ -0.0010008500000000, -0.0031850300000000, 0.0002460600000000 ] - [ 0.0004925000000000, 0.0010186600000000, -0.0002035300000000 ] - [ -0.0004923200000000, -0.0014376100000000, -0.0002667600000000 ] - [ 0.0092582000000000, 0.0138481800000000, -0.0537940300000000 ] - [ -0.0000614300000000, -0.0006196500000000, -0.0002404300000000 ] - [ -0.0000767900000000, -0.0002778800000000, -0.0014670800000000 ] - [ -0.0007590400000000, 0.0009585800000000, -0.0000413600000000 ] - [ 0.0007376300000000, -0.0016294100000000, 0.0003444400000000 ] - [ -0.0002145000000000, 0.0003028400000000, -0.0021064000000000 ] - [ -0.0074639500000000, 0.0093254700000000, 0.0105900300000000 ] - [ 0.0459030600000000, 0.1244687700000000, -0.3920943400000000 ] - [ 0.0011438500000000, 0.0034139600000000, 0.0011799700000000 ] - [ -0.0009060300000000, -0.0003591200000000, 0.0071765100000000 ] - [ 0.0003354300000000, 0.0002227100000000, 0.0012194400000000 ] - [ 0.0049740100000000, 0.0065027000000000, 0.0033288600000000 ] - [ 0.0021664400000000, 0.0025432400000000, -0.0033416800000000 ] - [ -0.0007379400000000, 0.0009463400000000, 0.0004130200000000 ] - [ 0.0013302500000000, 0.0008351500000000, 0.0084909200000000 ] - [ -0.0080219200000000, -0.0050351200000000, 0.0069637000000000 ] - [ 0.0073174100000000, -0.0043235500000000, 0.0087428600000000 ] - [ -0.0000187500000000, -0.0007439100000000, 0.0044907200000000 ] - [ 0.0015052600000000, 0.0012435700000000, -0.0020816200000000 ] - [ -0.0217378400000000, 0.0069290400000000, -0.0520864800000000 ] - [ -0.0013597800000000, 0.0010446800000000, 0.0014955700000000 ] - [ -0.0008709400000000, -0.0010812300000000, -0.0002255800000000 ] - [ 0.0003418200000000, -0.0002348600000000, 0.0061256200000000 ] - [ 0.0002060500000000, 0.0005280700000000, 0.0000669600000000 ] - [ 0.0006412300000000, -0.0003164800000000, 0.0011542500000000 ] - [ 0.0001013500000000, 0.0027774100000000, -0.0047565700000000 ] - [ 0.0013431900000000, -0.0105352600000000, 0.0057598700000000 ] - [ -0.0006853400000000, 0.0009368200000000, -0.0002342100000000 ] - [ 0.0003087300000000, 0.0010968900000000, 0.0053437100000000 ] - [ -0.0012122100000000, 0.0039638900000000, 0.0050136500000000 ] - [ -0.0000714300000000, -0.0000355800000000, -0.0023651700000000 ] - [ -0.0012995800000000, 0.0003696100000000, 0.0006105100000000 ] - [ -0.0001109600000000, -0.0000612300000000, -0.0013300100000000 ] - [ -0.0001261200000000, -0.0009113400000000, 0.0036165000000000 ] - [ 0.0038150000000000, 0.0007339400000000, -0.0003335600000000 ] - [ 0.0020098100000000, -0.0017970200000000, 0.0011183800000000 ] - [ -0.0015610000000000, 0.0059620100000000, -0.0017156900000000 ] - [ 0.0011627200000000, 0.0052757800000000, 0.0021796300000000 ] - [ 0.0073801600000000, 0.0001456800000000, 0.0020832400000000 ] - [ -0.0033233500000000, 0.0009118200000000, -0.0001076300000000 ] - [ -0.0005635300000000, -0.0002586400000000, -0.0013328200000000 ] - [ 0.0022341700000000, 0.0015910600000000, 0.0004582500000000 ] - [ -0.0003201600000000, -0.0007058800000000, -0.0040419500000000 ] - [ -0.0035824000000000, -0.0007665200000000, 0.0024894200000000 ] - [ 0.0035197700000000, 0.0007970000000000, 0.0006957000000000 ] - [ 0.0003759200000000, 0.0013624000000000, -0.0050683300000000 ] - [ 0.0004282400000000, -0.0006683500000000, 0.0005322900000000 ] - [ -0.0004620800000000, 0.0002485800000000, -0.0015702200000000 ] - [ -0.0007054800000000, -0.0035116500000000, -0.0003415700000000 ] - [ 0.0004427300000000, 0.0000478500000000, 0.0014712000000000 ] - [ -0.0003676800000000, -0.0003445200000000, 0.0018325500000000 ] - [ 0.0000132600000000, 0.0000326100000000, -0.0007084000000000 ] - [ 0.0012803600000000, 0.0005453200000000, -0.0026179800000000 ] - [ -0.0022651600000000, -0.0005133100000000, 0.0015785900000000 ] - [ 0.0003908900000000, 0.0002828600000000, 0.0015984900000000 ] - [ -0.0001864600000000, 0.0002772000000000, 0.0002193400000000 ] - [ 0.0002987900000000, 0.0003326300000000, -0.0000830700000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005469000000000, 0.0013887200000000, -0.0017720300000000 ] - [ 0.0021968200000000, 0.0053395700000000, 0.0061759900000000 ] - [ 0.0000867700000000, 0.0006271200000000, 0.0004253600000000 ] - [ 0.0001961500000000, 0.0012491200000000, -0.0005094200000000 ] - [ -0.0001237400000000, -0.0005073400000000, 0.0003395200000000 ] - [ 0.0409318400000000, -0.0334548900000000, -0.0166685200000000 ] - [ -0.0005370700000000, 0.0009385800000000, 0.0012661300000000 ] - [ 0.0077705200000000, -0.0054013100000000, -0.0017595300000000 ] - [ -0.0005824900000000, 0.0002999800000000, -0.0007439300000000 ] - [ -0.0027094300000000, -0.0033674600000000, 0.0027614500000000 ] - [ 0.0010019100000000, 0.0008795500000000, -0.0021343800000000 ] - [ 0.0011337200000000, -0.0013153300000000, 0.0000121200000000 ] - [ 0.0001422900000000, -0.0002370800000000, -0.0002621900000000 ] - [ -0.0015673700000000, -0.0023560100000000, 0.0008202300000000 ] - [ 0.0263074200000000, 0.0246642300000000, 0.0093522600000000 ] - [ 0.0008480100000000, -0.0016372400000000, 0.0000013400000000 ] - [ 0.0026191500000000, -0.0072419500000000, 0.0138642000000000 ] - [ -0.0014044500000000, -0.0029912800000000, -0.0085720300000000 ] - [ -0.0008001200000000, -0.0007917900000000, -0.0003423400000000 ] - [ -0.8110710100000000, -0.0753982000000000, -0.0418327400000000 ] - [ 0.0015328400000000, -0.0001411600000000, -0.0000384400000000 ] - [ -0.0157621200000000, -0.0066323100000000, 0.0131028300000000 ] - [ -0.0024707800000000, -0.0007004800000000, -0.0004099800000000 ] - [ 0.0033978800000000, -0.0007956000000000, -0.0004252000000000 ] - [ 0.0054280300000000, -0.0002192100000000, -0.0000513000000000 ] - [ 0.0012683000000000, -0.0000445600000000, 0.0005287600000000 ] - [ 0.0191361900000000, -0.0027300800000000, 0.0019308700000000 ] - [ -0.0032808700000000, -0.0005109000000000, -0.0001806500000000 ] - [ -0.0009335800000000, -0.0017213000000000, -0.0011214100000000 ] - [ 0.0006964400000000, -0.0004586600000000, 0.0007838200000000 ] - [ 0.0063079300000000, -0.0006867400000000, 0.0052435600000000 ] - [ 0.0010380200000000, -0.0005638300000000, -0.0004916200000000 ] - [ -0.0021679700000000, -0.0002444600000000, -0.0017409200000000 ] - [ 0.0070110900000000, -0.0012031200000000, 0.0008589000000000 ] - [ 0.0028942700000000, -0.0007353200000000, 0.0024238500000000 ] - [ -0.0008664000000000, -0.0007348600000000, 0.0001525100000000 ] - [ -0.0216676300000000, -0.0039233100000000, -0.0039216300000000 ] - [ 0.0183037900000000, 0.0099471200000000, -0.0373485500000000 ] - [ -0.0011731200000000, -0.0013710400000000, 0.0004966100000000 ] - [ 0.0009132400000000, -0.0009549000000000, 0.0000127900000000 ] - [ 0.0011293400000000, 0.0001320100000000, -0.0004465500000000 ] - [ 0.0602463800000000, 0.0102479200000000, -0.0254132400000000 ] - [ 0.0014606500000000, -0.0000465400000000, 0.0005395100000000 ] - [ -0.0054123500000000, 0.0016421300000000, 0.0008950100000000 ] - [ 0.0103302000000000, 0.0174297200000000, 0.0013886300000000 ] - [ -0.0011145100000000, -0.0002315500000000, -0.0001034700000000 ] - [ -0.0141908800000000, -0.0016316000000000, 0.0031066600000000 ] - [ -0.0012281000000000, 0.0028543200000000, 0.0019983600000000 ] - [ -0.0031236300000000, 0.0004010800000000, -0.0004355400000000 ] - [ 0.0006994000000000, 0.0004314700000000, 0.0006869100000000 ] - [ 0.4215400200000000, -0.0372701600000000, -0.0607282200000000 ] - [ 0.0003645400000000, 0.0000995100000000, 0.0002888000000000 ] - [ 0.0055568800000000, 0.0002911900000000, -0.0038258500000000 ] - [ -0.0005489000000000, 0.0006869200000000, 0.0000770400000000 ] - [ -0.0001252000000000, 0.0000431300000000, -0.0002345100000000 ] - [ -0.0002942200000000, 0.0008747800000000, -0.0045626500000000 ] - [ 0.0004636600000000, -0.0003964300000000, -0.0002519200000000 ] - [ 0.0001504400000000, 0.0000297100000000, 0.0001096300000000 ] - [ 0.0018072700000000, -0.0001045100000000, -0.0000180900000000 ] - [ 0.0543928300000000, -0.0351216100000000, -0.0072925300000000 ] - [ -0.0034104700000000, 0.0002707800000000, 0.0004683500000000 ] - [ 0.0016146100000000, 0.0003459400000000, -0.0002531100000000 ] - [ 0.0113464000000000, 0.0024844500000000, -0.0015917300000000 ] - [ 0.0012135000000000, 0.0031991100000000, -0.0021381000000000 ] - [ 0.0002231600000000, -0.0000549300000000, 0.0001303000000000 ] - [ -0.0004320800000000, -0.0011695700000000, 0.0002934000000000 ] - [ -0.0001641600000000, 0.0002394800000000, 0.0000347800000000 ] - [ -0.0017976800000000, -0.0010316200000000, 0.0002520300000000 ] - [ -0.0003973900000000, -0.0001380300000000, -0.0005017700000000 ] - [ -0.0044829000000000, 0.0033875500000000, 0.0008478200000000 ] - [ -0.0083082800000000, 0.0072122900000000, -0.0096910600000000 ] - [ -0.0004297000000000, 0.0001154700000000, -0.0003870800000000 ] - [ 0.0000372800000000, -0.0000758200000000, 0.0034456200000000 ] - [ 0.0006261700000000, 0.0007660900000000, -0.0001443000000000 ] - [ -0.0015353200000000, -0.0001338000000000, -0.0003754500000000 ] - [ -0.0022161600000000, 0.0004548200000000, 0.0004721700000000 ] - [ -0.0010754700000000, 0.0004210200000000, -0.0000397600000000 ] - [ 0.0000008100000000, 0.0058102900000000, 0.0121319000000000 ] - [ 0.0006879000000000, 0.0002627600000000, 0.0001651300000000 ] - [ -0.0006160700000000, 0.0003979000000000, -0.0005904200000000 ] - [ -0.0005620300000000, 0.0003384300000000, 0.0001896900000000 ] - [ -0.0000129200000000, 0.0001463600000000, 0.0003534900000000 ] - [ -0.0028535800000000, 0.0015888500000000, -0.0039722300000000 ] - [ -0.0003223600000000, 0.0005160500000000, -0.0000699400000000 ] - [ -0.0016736900000000, 0.0000552500000000, -0.0002318900000000 ] - [ 0.0018309700000000, 0.0008863300000000, 0.0026833700000000 ] - [ 0.0005715300000000, 0.0002594900000000, -0.0003072100000000 ] - [ 0.0001021500000000, 0.0009066900000000, -0.0001565300000000 ] - [ 0.0039318800000000, 0.0013513700000000, -0.0002979600000000 ] - [ -0.0006584200000000, 0.0006212000000000, -0.0002139300000000 ] - [ -0.0003972800000000, -0.0000694200000000, 0.0001336100000000 ] - [ -0.0004935500000000, -0.0004838600000000, -0.0018985900000000 ] - [ -0.0015180000000000, 0.0003320500000000, -0.0002346800000000 ] - [ -0.0042057300000000, 0.0023775900000000, 0.0051776800000000 ] - [ 0.0013416500000000, 0.0005774700000000, 0.0002206900000000 ] - [ -0.0001433000000000, 0.0009061800000000, 0.0005560700000000 ] - [ -0.0031932900000000, -0.0012198800000000, -0.0040917900000000 ] - [ 0.2157326900000000, 0.1263277200000000, 0.1465918000000000 ] - [ -0.0007560300000000, 0.0008677600000000, 0.0005108000000000 ] - [ -0.0012117700000000, 0.0005832700000000, -0.0003681700000000 ] - [ 0.0029294000000000, 0.0023947100000000, 0.0013283600000000 ] - [ -0.0017603900000000, -0.0003218500000000, -0.0003983600000000 ] - [ -0.0043561500000000, -0.0026202400000000, -0.0012660000000000 ] - [ -0.0004244100000000, 0.0020327600000000, 0.0003478100000000 ] - [ -0.0018425400000000, 0.0007231000000000, 0.0007400200000000 ] - [ -0.0048005200000000, -0.0051664500000000, 0.0078509800000000 ] - [ -0.0119879600000000, 0.0023560800000000, -0.0034574900000000 ] - [ 0.0079520100000000, -0.0106187800000000, 0.0011893100000000 ] - [ -0.0004629300000000, -0.0008357900000000, 0.0052200900000000 ] - [ -0.0001429900000000, 0.0024372700000000, -0.0010255300000000 ] - [ -0.0002220600000000, 0.0006126000000000, 0.0002645100000000 ] - [ 0.0005600800000000, 0.0002856400000000, -0.0000616000000000 ] - [ 0.0001472300000000, 0.0006870800000000, -0.0002452700000000 ] - [ -0.0011547400000000, 0.0006728200000000, -0.0033441000000000 ] - [ 0.0006721800000000, 0.0008311000000000, -0.0004348800000000 ] - [ 0.0007687100000000, 0.0002803500000000, -0.0003768900000000 ] - [ 0.0011301300000000, -0.0002699700000000, 0.0007457300000000 ] - [ -0.0000721700000000, 0.0003059700000000, -0.0004027600000000 ] - [ -0.0008536100000000, -0.0000915500000000, 0.0001459400000000 ] - [ 0.0008325000000000, 0.0000483100000000, 0.0000728800000000 ]- atom: 20 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003996500000000, -0.0013895700000000, 0.0017723800000000 ] - [ -0.0023532400000000, -0.0053197400000000, -0.0061528900000000 ] - [ 0.0000697100000000, -0.0006263400000000, -0.0004249700000000 ] - [ -0.0003478000000000, -0.0012513000000000, 0.0005108300000000 ] - [ 0.0001208200000000, -0.0003286000000000, -0.0003368600000000 ] - [ -0.0407173400000000, 0.0341861100000000, 0.0165630200000000 ] - [ 0.0005274900000000, -0.0005492500000000, -0.0012565700000000 ] - [ -0.0066210800000000, 0.0054462300000000, 0.0017850700000000 ] - [ 0.0005736100000000, -0.0006833300000000, 0.0007415400000000 ] - [ 0.0015655500000000, 0.0033672500000000, -0.0027419300000000 ] - [ -0.0009897100000000, -0.0017219800000000, 0.0021298700000000 ] - [ -0.0011110200000000, 0.0021509300000000, -0.0000208900000000 ] - [ -0.0001391100000000, 0.0006294900000000, 0.0002647900000000 ] - [ 0.0027318100000000, 0.0023569300000000, -0.0008219000000000 ] - [ -0.0263350200000000, -0.0253112100000000, -0.0094605700000000 ] - [ -0.0020232500000000, 0.0016378800000000, -0.0000043700000000 ] - [ -0.0019502500000000, 0.0080681000000000, -0.0143150000000000 ] - [ 0.0007191000000000, 0.0038435600000000, 0.0090442500000000 ] - [ 0.0001201200000000, -0.0000627000000000, -0.0001452800000000 ] - [ 0.7867342500000000, 0.0846533700000000, 0.0541800400000000 ] - [ -0.0007743800000000, 0.0002992600000000, -0.0004236600000000 ] - [ 0.0156977900000000, 0.0070998800000000, -0.0129253600000000 ] - [ 0.0017081900000000, 0.0008459600000000, 0.0008739100000000 ] - [ -0.0033949800000000, 0.0002097600000000, 0.0006059500000000 ] - [ -0.0054306500000000, 0.0008314900000000, -0.0001195800000000 ] - [ -0.0005948800000000, -0.0008060600000000, -0.0000389600000000 ] - [ -0.0184267300000000, 0.0026090900000000, -0.0015370800000000 ] - [ 0.0032739700000000, -0.0000702700000000, 0.0000178800000000 ] - [ 0.0016293400000000, 0.0025868600000000, 0.0006308500000000 ] - [ -0.0013638300000000, 0.0013125300000000, -0.0002963200000000 ] - [ -0.0069586200000000, -0.0001799100000000, -0.0057424700000000 ] - [ -0.0017951400000000, 0.0004113000000000, 0.0000262100000000 ] - [ 0.0029260600000000, 0.0003995800000000, 0.0012800100000000 ] - [ -0.0070214200000000, 0.0017749800000000, -0.0007025500000000 ] - [ -0.0036482700000000, 0.0008822200000000, -0.0019488100000000 ] - [ 0.0008715300000000, 0.0001547200000000, 0.0000130600000000 ] - [ 0.0216224800000000, 0.0045129000000000, 0.0037566000000000 ] - [ -0.0174067900000000, -0.0109376500000000, 0.0380989500000000 ] - [ 0.0019273100000000, 0.0012199200000000, -0.0000319200000000 ] - [ -0.0009175100000000, 0.0003714400000000, -0.0001733900000000 ] - [ -0.0011317900000000, -0.0000179600000000, 0.0005806000000000 ] - [ -0.0585319000000000, -0.0096683000000000, 0.0253240700000000 ] - [ -0.0002732500000000, -0.0003957300000000, -0.0008391500000000 ] - [ 0.0042161300000000, -0.0011922700000000, -0.0011749700000000 ] - [ -0.0103478900000000, -0.0171766200000000, -0.0016999200000000 ] - [ -0.0000799400000000, -0.0002150500000000, 0.0004024600000000 ] - [ 0.0132906500000000, 0.0009272100000000, -0.0032138700000000 ] - [ 0.0021921600000000, -0.0031984000000000, -0.0017066700000000 ] - [ 0.0031321800000000, -0.0005308500000000, 0.0005809800000000 ] - [ -0.0009332600000000, -0.0006266500000000, 0.0000410300000000 ] - [ -0.3935660500000000, 0.0335713600000000, 0.0558157500000000 ] - [ 0.0001790400000000, -0.0000660700000000, 0.0001156500000000 ] - [ -0.0055474000000000, -0.0003859500000000, 0.0036276600000000 ] - [ -0.0004052700000000, -0.0003529800000000, 0.0002163800000000 ] - [ 0.0001873700000000, -0.0002232800000000, -0.0000912600000000 ] - [ -0.0002309700000000, -0.0000044700000000, 0.0044386200000000 ] - [ 0.0000662400000000, -0.0004692200000000, 0.0001416100000000 ] - [ 0.0008784500000000, 0.0002239000000000, 0.0000170700000000 ] - [ -0.0021493900000000, 0.0011924800000000, 0.0007615300000000 ] - [ -0.0541856000000000, 0.0350301700000000, 0.0066393500000000 ] - [ 0.0036592000000000, -0.0000803900000000, 0.0002642900000000 ] - [ -0.0006820400000000, 0.0003723100000000, 0.0001408700000000 ] - [ -0.0116338600000000, -0.0035663400000000, 0.0008533400000000 ] - [ -0.0021627500000000, -0.0035266200000000, 0.0018417500000000 ] - [ -0.0002829600000000, -0.0001262600000000, 0.0001942600000000 ] - [ -0.0000925000000000, 0.0003013400000000, -0.0001808600000000 ] - [ -0.0008597800000000, 0.0000131200000000, -0.0001585900000000 ] - [ 0.0021545700000000, -0.0000678100000000, 0.0004958800000000 ] - [ -0.0001435400000000, 0.0001699400000000, 0.0000950500000000 ] - [ 0.0045477700000000, -0.0032030900000000, -0.0005199200000000 ] - [ 0.0077647200000000, -0.0072222100000000, 0.0100905900000000 ] - [ 0.0006634700000000, -0.0003189200000000, -0.0003444900000000 ] - [ 0.0004934700000000, 0.0009427400000000, -0.0033375900000000 ] - [ 0.0003325300000000, -0.0004295800000000, -0.0001484900000000 ] - [ 0.0018869600000000, 0.0012247200000000, -0.0003733700000000 ] - [ 0.0022221200000000, -0.0003382000000000, -0.0006278400000000 ] - [ 0.0001475300000000, 0.0002952600000000, 0.0001499400000000 ] - [ 0.0005392400000000, -0.0058306400000000, -0.0125158600000000 ] - [ -0.0017121300000000, -0.0005172700000000, -0.0000424400000000 ] - [ 0.0016432900000000, -0.0006510800000000, 0.0004623800000000 ] - [ 0.0005594800000000, -0.0002228400000000, -0.0000484300000000 ] - [ 0.0012057600000000, 0.0002983100000000, -0.0000528600000000 ] - [ 0.0040472300000000, -0.0020307800000000, 0.0036657100000000 ] - [ -0.0008663900000000, -0.0000724400000000, -0.0002321800000000 ] - [ 0.0016050800000000, 0.0001105500000000, -0.0000896700000000 ] - [ -0.0030227200000000, -0.0013329700000000, -0.0023878400000000 ] - [ -0.0015002400000000, -0.0009760600000000, 0.0001961000000000 ] - [ 0.0008474000000000, -0.0012394800000000, 0.0004477200000000 ] - [ -0.0039247300000000, -0.0014702900000000, 0.0004465800000000 ] - [ 0.0004239600000000, -0.0008189900000000, 0.0009397600000000 ] - [ 0.0013230800000000, -0.0006492400000000, -0.0000217000000000 ] - [ 0.0010331500000000, 0.0005195000000000, 0.0023031800000000 ] - [ 0.0015162900000000, -0.0004457400000000, 0.0000980700000000 ] - [ 0.0031966600000000, -0.0019964700000000, -0.0049497900000000 ] - [ -0.0012820300000000, -0.0007577200000000, -0.0005454700000000 ] - [ -0.0003862100000000, -0.0000444200000000, -0.0006697100000000 ] - [ 0.0036884000000000, 0.0003565700000000, 0.0039693600000000 ] - [ -0.2193994600000000, -0.1319531400000000, -0.1539382000000000 ] - [ 0.0004080600000000, 0.0002206900000000, 0.0002330000000000 ] - [ 0.0009785900000000, -0.0003819400000000, -0.0003593000000000 ] - [ -0.0026900600000000, -0.0021972900000000, -0.0006050100000000 ] - [ 0.0026856500000000, 0.0010393900000000, 0.0002868900000000 ] - [ 0.0040127600000000, 0.0015421000000000, 0.0005263700000000 ] - [ -0.0005441200000000, -0.0023883500000000, -0.0006450400000000 ] - [ 0.0017793200000000, -0.0008981500000000, -0.0004225500000000 ] - [ 0.0042027900000000, 0.0042840100000000, -0.0077854000000000 ] - [ 0.0110444500000000, -0.0021024000000000, 0.0033774500000000 ] - [ -0.0076043000000000, 0.0095045700000000, -0.0004357500000000 ] - [ -0.0001475500000000, 0.0008378600000000, -0.0055679000000000 ] - [ 0.0001628100000000, -0.0021965600000000, 0.0013213600000000 ] - [ -0.0003256200000000, -0.0006470500000000, 0.0001450300000000 ] - [ -0.0003257800000000, -0.0004877500000000, -0.0006676600000000 ] - [ 0.0003784700000000, 0.0001768300000000, 0.0003579500000000 ] - [ 0.0020970400000000, -0.0003387400000000, 0.0030531900000000 ] - [ -0.0003248500000000, 0.0002568100000000, -0.0003107400000000 ] - [ -0.0007649300000000, -0.0001647900000000, 0.0002344700000000 ] - [ -0.0020603900000000, 0.0009875500000000, -0.0006346200000000 ] - [ 0.0006098900000000, -0.0003395500000000, -0.0000016000000000 ] - [ -0.0001746600000000, -0.0001657000000000, -0.0000220400000000 ] - [ 0.0001944200000000, -0.0003020500000000, -0.0001984300000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019498300000000, -0.0018753700000000, -0.0014148200000000 ] - [ 0.0040384600000000, -0.0024341600000000, 0.0038719900000000 ] - [ 0.0002725600000000, 0.0019105900000000, 0.0007153100000000 ] - [ 0.0004948700000000, 0.0028132300000000, -0.0008459500000000 ] - [ 0.0004903400000000, 0.0015199500000000, -0.0001808400000000 ] - [ -0.0134450600000000, -0.0012119100000000, 0.0034653700000000 ] - [ -0.0000128500000000, -0.0021862200000000, -0.0007894300000000 ] - [ -0.0006621800000000, -0.0079757300000000, 0.0028684900000000 ] - [ 0.0099166900000000, 0.0106229200000000, -0.0002584300000000 ] - [ -0.0104154600000000, -0.0080388600000000, -0.0117327800000000 ] - [ 0.0009307200000000, -0.0020354400000000, -0.0033082900000000 ] - [ -0.0083962000000000, 0.0117816400000000, 0.0014835400000000 ] - [ -0.0004183900000000, 0.0026796100000000, 0.0002497100000000 ] - [ -0.0013208100000000, 0.0052660100000000, -0.0029551200000000 ] - [ 0.0257418700000000, 0.0187094000000000, 0.0090041400000000 ] - [ -0.0000991000000000, 0.0032546300000000, 0.0007435600000000 ] - [ -0.0022353800000000, 0.0000684200000000, -0.0036344200000000 ] - [ -0.0019947900000000, 0.0011055200000000, 0.0055050000000000 ] - [ -0.0001140200000000, 0.0050523600000000, -0.0029529400000000 ] - [ -0.0751750500000000, -0.5275402400000000, -0.0747074000000000 ] - [ 0.0001604200000000, -0.0017234100000000, -0.0016190500000000 ] - [ 0.0207046000000000, 0.0844061200000000, -0.0662472000000000 ] - [ 0.0003941700000000, -0.0017540500000000, 0.0043829800000000 ] - [ 0.0007549300000000, -0.0041275100000000, -0.0001997900000000 ] - [ -0.0012612900000000, -0.0067891300000000, -0.0006952400000000 ] - [ 0.0006567600000000, 0.0051880700000000, 0.0025584000000000 ] - [ 0.0030659700000000, -0.0108167100000000, 0.0036451700000000 ] - [ -0.0005480600000000, -0.0067783200000000, -0.0027185900000000 ] - [ -0.0024980000000000, 0.0045205100000000, 0.0056219400000000 ] - [ -0.0029765400000000, 0.0033580200000000, -0.0033670300000000 ] - [ 0.0012203900000000, -0.0071549600000000, 0.0058949700000000 ] - [ -0.0008639400000000, 0.0057250700000000, 0.0001003200000000 ] - [ 0.0000523700000000, 0.0020208100000000, 0.0004560900000000 ] - [ 0.0020335000000000, 0.0059745100000000, 0.0005137100000000 ] - [ 0.0004353100000000, 0.0019629800000000, -0.0013914600000000 ] - [ 0.0001689300000000, 0.0036483500000000, -0.0008320700000000 ] - [ -0.0012038200000000, 0.0224080000000000, 0.0020613400000000 ] - [ 0.0288427300000000, -0.0027552900000000, -0.0252853900000000 ] - [ 0.0016654400000000, 0.0127842700000000, -0.0010813700000000 ] - [ -0.0002093300000000, 0.0028612800000000, -0.0005050900000000 ] - [ 0.0000435300000000, 0.0029025300000000, 0.0047540800000000 ] - [ 0.0066106200000000, 0.0487121200000000, -0.0264969000000000 ] - [ 0.0006249700000000, -0.0008816400000000, -0.0033209600000000 ] - [ -0.0014574300000000, 0.0024210000000000, -0.0011952700000000 ] - [ 0.0030056100000000, -0.0067505600000000, -0.0018386200000000 ] - [ 0.0005502800000000, 0.0000359800000000, 0.0014934700000000 ] - [ -0.0004655100000000, 0.0022854800000000, -0.0012972000000000 ] - [ 0.0013347100000000, -0.0018234900000000, -0.0007417800000000 ] - [ -0.0002169700000000, 0.0026727800000000, -0.0013015200000000 ] - [ -0.0000513000000000, 0.0025103500000000, -0.0003337500000000 ] - [ -0.0400452700000000, 0.0627072200000000, 0.0100772800000000 ] - [ 0.0000819400000000, -0.0009589900000000, 0.0013876200000000 ] - [ -0.0004402900000000, 0.0004559100000000, 0.0290514400000000 ] - [ 0.0011734700000000, -0.0036590300000000, -0.0000845100000000 ] - [ -0.0006479400000000, -0.0015160600000000, -0.0001393400000000 ] - [ 0.0002585400000000, 0.0017916600000000, 0.0015933700000000 ] - [ -0.0007081900000000, -0.0038363000000000, 0.0033139000000000 ] - [ -0.0006175000000000, -0.0020773100000000, -0.0004117500000000 ] - [ -0.0011316300000000, 0.0026750200000000, 0.0011506200000000 ] - [ -0.0420642600000000, 0.1995380000000000, 0.0121998600000000 ] - [ 0.0005889700000000, 0.0067421200000000, 0.0017511300000000 ] - [ -0.0000629900000000, 0.0002271100000000, -0.0007099200000000 ] - [ -0.0223945600000000, -0.0207035300000000, 0.0056437100000000 ] - [ 0.0005293300000000, -0.0010679200000000, 0.0011175300000000 ] - [ 0.0007883600000000, -0.0019734300000000, 0.0004130800000000 ] - [ -0.0020734400000000, -0.0036361300000000, -0.0028039300000000 ] - [ 0.0007153400000000, -0.0058832500000000, 0.0010548600000000 ] - [ -0.0030974800000000, 0.0010547300000000, 0.0003897400000000 ] - [ -0.0002962900000000, -0.0010349200000000, -0.0010691400000000 ] - [ 0.0013074700000000, -0.0012147200000000, -0.0004152700000000 ] - [ 0.0005291900000000, 0.0006654700000000, 0.0009358500000000 ] - [ 0.0001478000000000, 0.0019514800000000, 0.0004460500000000 ] - [ 0.0006337900000000, 0.0018155900000000, -0.0016560900000000 ] - [ -0.0009272600000000, -0.0032653900000000, 0.0001911200000000 ] - [ 0.0004337200000000, 0.0019096900000000, -0.0002642900000000 ] - [ -0.0005910700000000, 0.0017919100000000, -0.0006240900000000 ] - [ -0.0006127600000000, 0.0005289300000000, 0.0003274000000000 ] - [ 0.0021684700000000, 0.0001817600000000, -0.0035773500000000 ] - [ -0.0003995200000000, -0.0001628800000000, 0.0002660200000000 ] - [ 0.0004084500000000, -0.0001409500000000, 0.0003449000000000 ] - [ -0.0000055200000000, -0.0010376000000000, -0.0003053900000000 ] - [ -0.0001229600000000, -0.0015209000000000, 0.0002652000000000 ] - [ 0.0009796900000000, -0.0006482900000000, 0.0010752500000000 ] - [ -0.0002589000000000, -0.0021720300000000, -0.0002182900000000 ] - [ 0.0034573100000000, 0.0009990100000000, -0.0005211700000000 ] - [ -0.0005329600000000, -0.0006305900000000, -0.0010702500000000 ] - [ -0.0020526600000000, -0.0059285000000000, 0.0006688300000000 ] - [ 0.0034583000000000, -0.0016973700000000, 0.0026040800000000 ] - [ 0.0006840300000000, -0.0047755200000000, 0.0028166400000000 ] - [ -0.0001718700000000, -0.0021275200000000, 0.0011718600000000 ] - [ 0.0016470800000000, -0.0027411700000000, -0.0003236000000000 ] - [ 0.0003511300000000, 0.0010696500000000, -0.0013199400000000 ] - [ -0.0005905400000000, -0.0020028700000000, -0.0013410200000000 ] - [ -0.0108670100000000, 0.0133493800000000, 0.0005724700000000 ] - [ 0.0018578100000000, 0.0029732300000000, 0.0009326500000000 ] - [ 0.0005027100000000, -0.0017371500000000, -0.0023067400000000 ] - [ -0.0026382000000000, 0.0002077300000000, -0.0053872500000000 ] - [ 0.1251496100000000, 0.1470931600000000, 0.1137931900000000 ] - [ 0.0005402200000000, -0.0008102500000000, 0.0004015500000000 ] - [ -0.0001820000000000, -0.0041573800000000, 0.0006044500000000 ] - [ 0.0002955000000000, -0.0099816100000000, -0.0027664500000000 ] - [ -0.0004611800000000, -0.0002560600000000, 0.0005331800000000 ] - [ -0.0033747400000000, -0.0031565000000000, -0.0011790600000000 ] - [ 0.0015086500000000, 0.0004330300000000, -0.0021101100000000 ] - [ -0.0014736700000000, 0.0019763100000000, 0.0004889800000000 ] - [ -0.0067993300000000, -0.0028406400000000, 0.0076720100000000 ] - [ -0.0088934700000000, 0.0042862700000000, -0.0024012700000000 ] - [ 0.0012049500000000, -0.0088702600000000, -0.0008510100000000 ] - [ -0.0024338100000000, -0.0008406400000000, 0.0061409200000000 ] - [ 0.0088652500000000, -0.0205282000000000, 0.0072037900000000 ] - [ 0.0011734200000000, -0.0024974900000000, -0.0027695300000000 ] - [ 0.0001413800000000, -0.0020656300000000, -0.0008358200000000 ] - [ 0.0003248100000000, -0.0012397000000000, 0.0015027600000000 ] - [ 0.0033907800000000, 0.0072093100000000, -0.0016998000000000 ] - [ -0.0007143800000000, -0.0010563100000000, -0.0001605300000000 ] - [ -0.0000363500000000, -0.0017021700000000, 0.0015365600000000 ] - [ -0.0000875300000000, -0.0001135200000000, 0.0004076400000000 ] - [ 0.0018583200000000, -0.0015246000000000, 0.0018551900000000 ] - [ -0.0001671500000000, -0.0000115300000000, 0.0001219100000000 ] - [ 0.0006998100000000, -0.0003603900000000, -0.0008425600000000 ]- atom: 20 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017903700000000, 0.0018654700000000, 0.0014142900000000 ] - [ -0.0041867700000000, 0.0024082000000000, -0.0038610700000000 ] - [ -0.0001224200000000, -0.0019060200000000, -0.0007220500000000 ] - [ -0.0006545300000000, -0.0028081000000000, 0.0008528100000000 ] - [ -0.0004875600000000, -0.0023611000000000, 0.0001801100000000 ] - [ 0.0135737300000000, 0.0021608700000000, -0.0035280200000000 ] - [ 0.0000109500000000, 0.0025812600000000, 0.0007837600000000 ] - [ 0.0018480000000000, 0.0079263400000000, -0.0028742300000000 ] - [ -0.0098546100000000, -0.0109845500000000, 0.0002570900000000 ] - [ 0.0091846700000000, 0.0079894400000000, 0.0116989200000000 ] - [ -0.0009230900000000, 0.0012026400000000, 0.0032840800000000 ] - [ 0.0083837600000000, -0.0109567700000000, -0.0014873800000000 ] - [ 0.0004157900000000, -0.0022898600000000, -0.0002481400000000 ] - [ 0.0025100900000000, -0.0052711200000000, 0.0029998800000000 ] - [ -0.0259224400000000, -0.0189808400000000, -0.0090568900000000 ] - [ -0.0010676300000000, -0.0032451000000000, -0.0007528200000000 ] - [ 0.0029255600000000, 0.0008298300000000, 0.0031661600000000 ] - [ 0.0013147700000000, -0.0002379400000000, -0.0050293600000000 ] - [ -0.0005521100000000, -0.0059040400000000, 0.0024463100000000 ] - [ 0.0847994800000000, 0.5106126800000000, 0.0785472700000000 ] - [ 0.0006011700000000, 0.0018612800000000, 0.0011500900000000 ] - [ -0.0209165600000000, -0.0829685100000000, 0.0661381600000000 ] - [ -0.0011530100000000, 0.0018839900000000, -0.0039046500000000 ] - [ -0.0007408600000000, 0.0035321000000000, 0.0003546900000000 ] - [ 0.0012800900000000, 0.0073288800000000, 0.0005333800000000 ] - [ 0.0000296400000000, -0.0060470200000000, -0.0020583100000000 ] - [ -0.0022736100000000, 0.0106345900000000, -0.0031529100000000 ] - [ 0.0005371500000000, 0.0061699700000000, 0.0025358400000000 ] - [ 0.0031618000000000, -0.0036734600000000, -0.0060972100000000 ] - [ 0.0022962400000000, -0.0025051400000000, 0.0038497600000000 ] - [ -0.0018796400000000, 0.0063090400000000, -0.0063489500000000 ] - [ 0.0001097300000000, -0.0058766800000000, -0.0005633300000000 ] - [ 0.0006964100000000, -0.0018529900000000, -0.0009284200000000 ] - [ -0.0020213200000000, -0.0053883900000000, -0.0003542500000000 ] - [ -0.0011823400000000, -0.0017982700000000, 0.0018616400000000 ] - [ -0.0001647800000000, -0.0042264300000000, 0.0010076100000000 ] - [ 0.0010944300000000, -0.0220403100000000, -0.0022447700000000 ] - [ -0.0280014200000000, 0.0021617600000000, 0.0257605600000000 ] - [ -0.0009240200000000, -0.0129790600000000, 0.0015292700000000 ] - [ 0.0002050000000000, -0.0034363800000000, 0.0003380300000000 ] - [ -0.0000430500000000, -0.0027713700000000, -0.0045914900000000 ] - [ -0.0054113600000000, -0.0479496400000000, 0.0268034400000000 ] - [ 0.0005681000000000, 0.0004379200000000, 0.0030073100000000 ] - [ 0.0002646900000000, -0.0019747100000000, 0.0008836000000000 ] - [ -0.0031140000000000, 0.0070425900000000, 0.0015559000000000 ] - [ -0.0017387900000000, -0.0004774100000000, -0.0011887400000000 ] - [ -0.0004671000000000, -0.0029989000000000, 0.0011736600000000 ] - [ -0.0003730000000000, 0.0014742600000000, 0.0010372000000000 ] - [ 0.0002126000000000, -0.0027744500000000, 0.0014366100000000 ] - [ -0.0001803200000000, -0.0026928800000000, 0.0010618800000000 ] - [ 0.0388421700000000, -0.0625456200000000, -0.0095756800000000 ] - [ 0.0004573100000000, 0.0009942500000000, -0.0009727800000000 ] - [ 0.0004720400000000, -0.0005907600000000, -0.0290653600000000 ] - [ -0.0021380100000000, 0.0040026300000000, 0.0003712700000000 ] - [ 0.0007063500000000, 0.0013331400000000, -0.0001853000000000 ] - [ -0.0007793400000000, -0.0009386100000000, -0.0017080700000000 ] - [ 0.0012279500000000, 0.0029651300000000, -0.0034138300000000 ] - [ 0.0016402600000000, 0.0023321500000000, 0.0005364600000000 ] - [ 0.0007853300000000, -0.0015813500000000, -0.0003997400000000 ] - [ 0.0380287600000000, -0.1841468000000000, -0.0133690900000000 ] - [ -0.0003599800000000, -0.0065162000000000, -0.0010189400000000 ] - [ 0.0009937800000000, 0.0004958700000000, 0.0005982200000000 ] - [ 0.0220199300000000, 0.0195285500000000, -0.0063519200000000 ] - [ -0.0015065300000000, 0.0007090800000000, -0.0014256400000000 ] - [ -0.0008482500000000, 0.0017920800000000, -0.0000895300000000 ] - [ 0.0015367700000000, 0.0027673700000000, 0.0029051600000000 ] - [ -0.0017430000000000, 0.0061360500000000, -0.0011750800000000 ] - [ 0.0034222700000000, -0.0021295200000000, 0.0003517300000000 ] - [ -0.0002468300000000, 0.0010717700000000, 0.0006556800000000 ] - [ -0.0012682500000000, 0.0013874200000000, 0.0007466800000000 ] - [ -0.0010733000000000, -0.0007251300000000, -0.0005388300000000 ] - [ 0.0000842400000000, -0.0021391300000000, -0.0011695000000000 ] - [ -0.0001072000000000, -0.0009539300000000, 0.0017741100000000 ] - [ 0.0018785000000000, 0.0035969800000000, -0.0004789800000000 ] - [ -0.0000893100000000, -0.0008185600000000, -0.0004779700000000 ] - [ 0.0005874000000000, -0.0016669700000000, 0.0004870700000000 ] - [ -0.0003205000000000, 0.0001931200000000, -0.0002156200000000 ] - [ -0.0016285300000000, -0.0002426300000000, 0.0031770700000000 ] - [ -0.0006266700000000, -0.0000973900000000, -0.0001385300000000 ] - [ 0.0006175100000000, -0.0001172800000000, -0.0004700300000000 ] - [ 0.0000020500000000, 0.0011516900000000, 0.0004505500000000 ] - [ 0.0013115300000000, 0.0019647300000000, 0.0000343700000000 ] - [ 0.0002070600000000, 0.0001982700000000, -0.0013796800000000 ] - [ -0.0009381300000000, 0.0026243600000000, -0.0000688500000000 ] - [ -0.0035095600000000, -0.0008066700000000, 0.0001957500000000 ] - [ -0.0006557300000000, 0.0001822700000000, 0.0013748700000000 ] - [ 0.0011361600000000, 0.0052275100000000, -0.0007787400000000 ] - [ -0.0024936400000000, 0.0013617400000000, -0.0023065400000000 ] - [ -0.0006732200000000, 0.0046909600000000, -0.0027102700000000 ] - [ -0.0000638900000000, 0.0019192500000000, -0.0004427200000000 ] - [ -0.0007184000000000, 0.0020253000000000, 0.0004348800000000 ] - [ 0.0001897800000000, -0.0010391600000000, 0.0017165900000000 ] - [ 0.0005852600000000, 0.0018844200000000, 0.0012028200000000 ] - [ 0.0098190100000000, -0.0129545500000000, -0.0002680400000000 ] - [ -0.0017886900000000, -0.0031437700000000, -0.0012517800000000 ] - [ -0.0010274300000000, 0.0026027900000000, 0.0021903500000000 ] - [ 0.0031546600000000, -0.0011131600000000, 0.0052516400000000 ] - [ -0.1281745300000000, -0.1475041100000000, -0.1176561600000000 ] - [ -0.0008862900000000, 0.0018975900000000, 0.0003426300000000 ] - [ -0.0000557300000000, 0.0043539900000000, -0.0013301500000000 ] - [ -0.0000495100000000, 0.0102388800000000, 0.0035177700000000 ] - [ 0.0013783600000000, 0.0009643500000000, -0.0006439100000000 ] - [ 0.0030278100000000, 0.0020553800000000, 0.0004345700000000 ] - [ -0.0024551300000000, -0.0007540100000000, 0.0018134500000000 ] - [ 0.0014041000000000, -0.0021501200000000, -0.0001591200000000 ] - [ 0.0062426000000000, 0.0018693000000000, -0.0075939600000000 ] - [ 0.0078084800000000, -0.0040312100000000, 0.0022732200000000 ] - [ -0.0008179800000000, 0.0078087900000000, 0.0016063300000000 ] - [ 0.0018400800000000, 0.0008096900000000, -0.0064629000000000 ] - [ -0.0088183400000000, 0.0208104700000000, -0.0069664400000000 ] - [ -0.0017087200000000, 0.0024663800000000, 0.0031660500000000 ] - [ 0.0000932700000000, 0.0018559000000000, 0.0001045900000000 ] - [ 0.0002036500000000, 0.0021051000000000, -0.0013883400000000 ] - [ -0.0024322500000000, -0.0068553400000000, 0.0013847400000000 ] - [ 0.0010627900000000, 0.0021449300000000, -0.0005854400000000 ] - [ 0.0000408900000000, 0.0018197100000000, -0.0016924100000000 ] - [ -0.0008338800000000, 0.0008225200000000, -0.0002903100000000 ] - [ -0.0013169600000000, 0.0014947800000000, -0.0022567600000000 ] - [ -0.0008585500000000, -0.0002400300000000, 0.0000024300000000 ] - [ 0.0003270000000000, 0.0001096700000000, 0.0007155500000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010424600000000, -0.0006973600000000, 0.0018766000000000 ] - [ 0.0043835500000000, 0.0033803500000000, -0.0006018200000000 ] - [ 0.0002572200000000, 0.0007162300000000, 0.0009780800000000 ] - [ -0.0003290800000000, -0.0018907300000000, -0.0005132700000000 ] - [ 0.0004233400000000, 0.0001193600000000, 0.0012781300000000 ] - [ -0.0112744200000000, 0.0079272300000000, -0.0016609500000000 ] - [ 0.0006296100000000, -0.0007367800000000, 0.0047247300000000 ] - [ -0.0069855300000000, 0.0111995800000000, -0.0012787900000000 ] - [ -0.0020904800000000, -0.0019692300000000, -0.0012128800000000 ] - [ 0.0015910600000000, -0.0041481700000000, 0.0102936900000000 ] - [ -0.0035508400000000, -0.0014798300000000, 0.0131061700000000 ] - [ 0.0012386600000000, -0.0007360100000000, -0.0017632600000000 ] - [ -0.0005150200000000, 0.0005039600000000, 0.0015743700000000 ] - [ 0.0005119400000000, -0.0023596900000000, -0.0021089400000000 ] - [ 0.0232991200000000, 0.0219612300000000, -0.0119196100000000 ] - [ -0.0014489200000000, 0.0010498800000000, 0.0010427400000000 ] - [ 0.0044452100000000, -0.0016729500000000, -0.0067950900000000 ] - [ -0.0013349400000000, 0.0035677600000000, 0.0095193100000000 ] - [ -0.0006503700000000, -0.0008882800000000, 0.0016742200000000 ] - [ -0.0424121700000000, -0.0713859300000000, -0.5416569300000000 ] - [ 0.0001858600000000, 0.0014646500000000, 0.0022125300000000 ] - [ 0.0031318200000000, -0.0258278800000000, -0.0042333700000000 ] - [ 0.0002650500000000, 0.0042353400000000, 0.0019582400000000 ] - [ -0.0018034200000000, 0.0014674000000000, 0.0048458000000000 ] - [ 0.0003875500000000, -0.0002620000000000, -0.0064468200000000 ] - [ 0.0005925800000000, -0.0003074200000000, -0.0009950900000000 ] - [ 0.0021153200000000, -0.0034774800000000, 0.0011393300000000 ] - [ 0.0007687300000000, 0.0023292700000000, 0.0091409900000000 ] - [ 0.0013941600000000, 0.0040352300000000, -0.0028354700000000 ] - [ 0.0016033900000000, -0.0015944000000000, 0.0016945500000000 ] - [ 0.0055577900000000, 0.0017155200000000, 0.0083287100000000 ] - [ -0.0006384700000000, 0.0002542600000000, -0.0016926800000000 ] - [ 0.0018860900000000, -0.0006238900000000, 0.0059888000000000 ] - [ -0.0009899700000000, 0.0021241500000000, -0.0011924700000000 ] - [ -0.0025630700000000, -0.0015542900000000, 0.0015209500000000 ] - [ 0.0002970000000000, -0.0008175900000000, 0.0016446700000000 ] - [ -0.0035424800000000, 0.0068272900000000, -0.0072559100000000 ] - [ -0.0895002900000000, -0.0382445000000000, 0.0351722700000000 ] - [ 0.0006442300000000, 0.0012316600000000, 0.0002730200000000 ] - [ -0.0000652700000000, -0.0009399400000000, 0.0020978000000000 ] - [ 0.0005189600000000, -0.0012888200000000, -0.0057715700000000 ] - [ -0.0121719900000000, -0.0275811100000000, 0.2021965100000000 ] - [ 0.0008015300000000, -0.0014237200000000, -0.0000230000000000 ] - [ -0.0017025100000000, 0.0006624900000000, -0.0005622800000000 ] - [ 0.0007519500000000, -0.0038369800000000, 0.0030566000000000 ] - [ -0.0014795600000000, -0.0004392000000000, -0.0013064500000000 ] - [ -0.0005813700000000, 0.0001589000000000, -0.0001165000000000 ] - [ 0.0015066900000000, -0.0020879200000000, -0.0014883000000000 ] - [ 0.0016163700000000, -0.0019751800000000, 0.0047043000000000 ] - [ -0.0007888200000000, -0.0019422500000000, -0.0024261200000000 ] - [ -0.0563937800000000, 0.0092071000000000, 0.0599024100000000 ] - [ 0.0003766800000000, -0.0000774700000000, -0.0012054700000000 ] - [ -0.0012712900000000, 0.0084718800000000, 0.0003482400000000 ] - [ -0.0005329100000000, 0.0004845000000000, 0.0006473900000000 ] - [ 0.0001555100000000, 0.0000389500000000, -0.0006460100000000 ] - [ -0.0026692800000000, 0.0021241900000000, 0.0002786600000000 ] - [ 0.0005783300000000, 0.0003007300000000, -0.0007296000000000 ] - [ 0.0008037700000000, 0.0002750900000000, 0.0005597500000000 ] - [ -0.0004466100000000, 0.0003040600000000, -0.0025144500000000 ] - [ -0.0023174600000000, 0.0024565900000000, 0.0456410200000000 ] - [ -0.0004209100000000, 0.0025438500000000, 0.0020581600000000 ] - [ -0.0004124200000000, -0.0007440200000000, -0.0007350900000000 ] - [ 0.0018786400000000, 0.0019961500000000, 0.0014175700000000 ] - [ -0.0012886800000000, 0.0011924200000000, 0.0011258000000000 ] - [ -0.0003367100000000, 0.0000806300000000, -0.0002702100000000 ] - [ -0.0000458800000000, -0.0004454200000000, 0.0013835700000000 ] - [ -0.0002770300000000, 0.0002269300000000, 0.0002419200000000 ] - [ 0.0008646600000000, -0.0002515400000000, 0.0016603500000000 ] - [ -0.0003518900000000, -0.0003208500000000, 0.0003403300000000 ] - [ 0.0011191800000000, -0.0011768200000000, 0.0007767700000000 ] - [ 0.0017767700000000, -0.0023225400000000, 0.0066184900000000 ] - [ 0.0001219600000000, -0.0018860400000000, -0.0021775300000000 ] - [ 0.0005899200000000, 0.0009941700000000, -0.0039303700000000 ] - [ 0.0006973800000000, 0.0001793000000000, -0.0006098500000000 ] - [ 0.0010149400000000, 0.0005121500000000, -0.0018689400000000 ] - [ 0.0015903700000000, -0.0009248000000000, -0.0025480400000000 ] - [ -0.0003272700000000, 0.0000765700000000, -0.0006124600000000 ] - [ 0.0030274500000000, -0.0025197800000000, -0.0045582200000000 ] - [ -0.0005778600000000, 0.0007130200000000, -0.0024188700000000 ] - [ 0.0010847900000000, -0.0000061300000000, -0.0011400500000000 ] - [ 0.0002649900000000, -0.0002363000000000, -0.0013396800000000 ] - [ 0.0003871500000000, 0.0000741700000000, 0.0010148700000000 ] - [ 0.0009281400000000, 0.0002946300000000, 0.0003642900000000 ] - [ -0.0003278800000000, 0.0000527100000000, -0.0006871400000000 ] - [ -0.0003486900000000, 0.0001264400000000, 0.0011236600000000 ] - [ -0.0018639700000000, -0.0013018800000000, -0.0039558300000000 ] - [ -0.0008669900000000, -0.0007333700000000, 0.0001944100000000 ] - [ -0.0012613700000000, 0.0022076100000000, -0.0011950600000000 ] - [ 0.0002271700000000, -0.0010608300000000, 0.0043660500000000 ] - [ 0.0002521700000000, 0.0012945500000000, -0.0003381200000000 ] - [ 0.0005120500000000, -0.0003314500000000, 0.0005834500000000 ] - [ -0.0000429800000000, -0.0010171800000000, -0.0051909900000000 ] - [ 0.0002422600000000, -0.0003882300000000, 0.0001307400000000 ] - [ 0.0251908300000000, -0.0120822200000000, -0.0030830200000000 ] - [ -0.0007054300000000, -0.0014173800000000, -0.0038253900000000 ] - [ -0.0002658600000000, -0.0002074500000000, -0.0000715900000000 ] - [ -0.0026670800000000, -0.0014708600000000, -0.0043101000000000 ] - [ 0.1415481400000000, 0.1110628600000000, 0.1920435300000000 ] - [ -0.0000669300000000, 0.0007187400000000, -0.0002346300000000 ] - [ -0.0000536000000000, -0.0007340100000000, 0.0004161600000000 ] - [ 0.0006662400000000, -0.0017569600000000, 0.0001613900000000 ] - [ 0.0028697200000000, 0.0017814900000000, -0.0014306200000000 ] - [ 0.0000308200000000, -0.0009324100000000, 0.0018533200000000 ] - [ -0.0011599400000000, -0.0041347500000000, 0.0004164800000000 ] - [ 0.0019168700000000, -0.0010783500000000, -0.0025021200000000 ] - [ 0.0145613600000000, 0.0137892600000000, 0.0233027000000000 ] - [ -0.0070616200000000, 0.0005300400000000, 0.0011581400000000 ] - [ 0.0016129300000000, -0.0092989900000000, 0.0032301900000000 ] - [ 0.0098765100000000, 0.0075041900000000, -0.0167502300000000 ] - [ -0.0019320700000000, 0.0009353600000000, 0.0023620400000000 ] - [ -0.0005808100000000, -0.0005620800000000, 0.0025596600000000 ] - [ -0.0001319300000000, -0.0001160600000000, -0.0013649300000000 ] - [ 0.0001635400000000, 0.0009547400000000, -0.0011215600000000 ] - [ -0.0022451500000000, -0.0003815900000000, -0.0046789400000000 ] - [ 0.0002756300000000, 0.0005793400000000, -0.0009335100000000 ] - [ -0.0002480100000000, 0.0009513400000000, -0.0005841800000000 ] - [ -0.0016838600000000, 0.0014365600000000, -0.0027429600000000 ] - [ -0.0001592500000000, 0.0003030700000000, -0.0005517000000000 ] - [ -0.0003434600000000, -0.0003963000000000, -0.0006665600000000 ] - [ 0.0011366300000000, -0.0012035700000000, -0.0009430400000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0012085200000000, 0.0007039300000000, -0.0018746700000000 ] - [ -0.0045184900000000, -0.0033590900000000, 0.0005822100000000 ] - [ -0.0001024100000000, -0.0007187200000000, -0.0009746700000000 ] - [ 0.0001767200000000, 0.0018846900000000, 0.0005123500000000 ] - [ -0.0004210800000000, -0.0009516000000000, -0.0012795700000000 ] - [ 0.0112491600000000, -0.0071041300000000, 0.0017646700000000 ] - [ -0.0006192200000000, 0.0011192700000000, -0.0047273600000000 ] - [ 0.0081380100000000, -0.0111533400000000, 0.0012565600000000 ] - [ 0.0020651300000000, 0.0015533400000000, 0.0012166100000000 ] - [ -0.0028134300000000, 0.0041801400000000, -0.0103511500000000 ] - [ 0.0035446400000000, 0.0006276000000000, -0.0131198100000000 ] - [ -0.0012215700000000, 0.0015564000000000, 0.0017611700000000 ] - [ 0.0005131900000000, -0.0001087200000000, -0.0015766900000000 ] - [ 0.0006572900000000, 0.0023587300000000, 0.0020939900000000 ] - [ -0.0232957800000000, -0.0223363700000000, 0.0119056500000000 ] - [ 0.0002810500000000, -0.0010602500000000, -0.0010368700000000 ] - [ -0.0037594800000000, 0.0025171400000000, 0.0062579800000000 ] - [ 0.0006726200000000, -0.0027425200000000, -0.0090716700000000 ] - [ -0.0000297800000000, 0.0000342500000000, -0.0021489800000000 ] - [ 0.0536301600000000, 0.0818147800000000, 0.5291433000000000 ] - [ 0.0005717200000000, -0.0013044800000000, -0.0026776600000000 ] - [ -0.0031602900000000, 0.0264004000000000, 0.0049112300000000 ] - [ -0.0010197300000000, -0.0040526200000000, -0.0015037200000000 ] - [ 0.0018086700000000, -0.0020458000000000, -0.0046806500000000 ] - [ -0.0003771900000000, 0.0008492300000000, 0.0062757600000000 ] - [ 0.0000804500000000, -0.0005504800000000, 0.0014705600000000 ] - [ -0.0013522200000000, 0.0033208100000000, -0.0006322500000000 ] - [ -0.0007801700000000, -0.0029175500000000, -0.0093104600000000 ] - [ -0.0007167000000000, -0.0031751200000000, 0.0023241800000000 ] - [ -0.0022894200000000, 0.0024707000000000, -0.0011916000000000 ] - [ -0.0062876200000000, -0.0026095500000000, -0.0088100500000000 ] - [ -0.0001207500000000, -0.0004102200000000, 0.0012247700000000 ] - [ -0.0011339900000000, 0.0007607800000000, -0.0064638700000000 ] - [ 0.0009764800000000, -0.0015396700000000, 0.0013608000000000 ] - [ 0.0018084400000000, 0.0016991200000000, -0.0010597900000000 ] - [ -0.0002921800000000, 0.0002314700000000, -0.0014878100000000 ] - [ 0.0035577700000000, -0.0061968900000000, 0.0070992300000000 ] - [ 0.0898315300000000, 0.0371449000000000, -0.0341545200000000 ] - [ 0.0001153900000000, -0.0013796800000000, 0.0002055000000000 ] - [ 0.0000589400000000, 0.0003558500000000, -0.0022618400000000 ] - [ -0.0005212100000000, 0.0014052500000000, 0.0059294400000000 ] - [ 0.0099642700000000, 0.0243136200000000, -0.1879462600000000 ] - [ 0.0003943400000000, 0.0009721400000000, -0.0002669100000000 ] - [ 0.0005276200000000, -0.0002191200000000, 0.0002371700000000 ] - [ -0.0008117700000000, 0.0039697500000000, -0.0033977900000000 ] - [ 0.0002893600000000, -0.0000092900000000, 0.0016054300000000 ] - [ -0.0003521400000000, -0.0008726700000000, -0.0000161700000000 ] - [ -0.0005593100000000, 0.0017686500000000, 0.0017854000000000 ] - [ -0.0016109900000000, 0.0018536500000000, -0.0045487400000000 ] - [ 0.0005528300000000, 0.0017246700000000, 0.0031495300000000 ] - [ 0.0559411300000000, -0.0098054100000000, -0.0588985300000000 ] - [ 0.0001647800000000, 0.0001084300000000, 0.0016034000000000 ] - [ 0.0012896000000000, -0.0087619800000000, -0.0005900600000000 ] - [ -0.0004233500000000, -0.0001469100000000, -0.0003499500000000 ] - [ -0.0000938000000000, -0.0002189000000000, 0.0003213500000000 ] - [ 0.0021257100000000, -0.0012459100000000, -0.0003800100000000 ] - [ -0.0000491800000000, -0.0011634300000000, 0.0006032200000000 ] - [ 0.0002257000000000, -0.0000178200000000, -0.0004342900000000 ] - [ 0.0000965800000000, 0.0007866900000000, 0.0032544700000000 ] - [ 0.0022075000000000, -0.0033876900000000, -0.0462815000000000 ] - [ 0.0006544500000000, -0.0023444600000000, -0.0013375000000000 ] - [ 0.0013372200000000, 0.0014546500000000, 0.0006253000000000 ] - [ -0.0021410100000000, -0.0030041300000000, -0.0022294000000000 ] - [ 0.0003303200000000, -0.0015256000000000, -0.0014094400000000 ] - [ 0.0002751900000000, -0.0002607700000000, 0.0005963900000000 ] - [ -0.0004775300000000, -0.0004154100000000, -0.0012618900000000 ] - [ -0.0007503600000000, 0.0000342700000000, -0.0003693200000000 ] - [ -0.0005102100000000, -0.0008383100000000, -0.0009173900000000 ] - [ -0.0001902400000000, 0.0003527500000000, -0.0007377600000000 ] - [ -0.0010546100000000, 0.0013546600000000, -0.0004584300000000 ] - [ -0.0022907500000000, 0.0022716000000000, -0.0061715200000000 ] - [ 0.0001129300000000, 0.0016818400000000, 0.0014500100000000 ] - [ -0.0000664900000000, -0.0001258100000000, 0.0040493400000000 ] - [ 0.0002621200000000, 0.0001617700000000, 0.0003131700000000 ] - [ -0.0006719700000000, 0.0005757000000000, 0.0011254500000000 ] - [ -0.0015848500000000, 0.0010379700000000, 0.0024061900000000 ] - [ -0.0006021500000000, 0.0006378600000000, 0.0007243200000000 ] - [ -0.0025172100000000, 0.0025087200000000, 0.0041552200000000 ] - [ -0.0004476200000000, -0.0009617600000000, 0.0025425500000000 ] - [ -0.0000631200000000, -0.0002434500000000, 0.0010180800000000 ] - [ -0.0002690500000000, 0.0003545000000000, 0.0014823700000000 ] - [ 0.0008058700000000, 0.0003719500000000, -0.0007109600000000 ] - [ 0.0002673300000000, -0.0007385700000000, -0.0006556200000000 ] - [ -0.0008595900000000, 0.0003890400000000, 0.0003759100000000 ] - [ 0.0002835900000000, 0.0000558000000000, -0.0014473300000000 ] - [ 0.0006747800000000, 0.0008650500000000, 0.0042676000000000 ] - [ -0.0000657800000000, 0.0000175100000000, -0.0003080400000000 ] - [ 0.0022359000000000, -0.0025669600000000, 0.0014884600000000 ] - [ -0.0002260800000000, 0.0009354600000000, -0.0042068000000000 ] - [ -0.0004871700000000, -0.0014926800000000, 0.0010655100000000 ] - [ 0.0004158700000000, -0.0003843700000000, -0.0004714300000000 ] - [ 0.0005901200000000, 0.0010597500000000, 0.0055935800000000 ] - [ -0.0002452400000000, 0.0002721500000000, -0.0002774600000000 ] - [ -0.0260643800000000, 0.0123934300000000, 0.0033526200000000 ] - [ 0.0007721000000000, 0.0012438900000000, 0.0035037600000000 ] - [ -0.0002612000000000, 0.0010716500000000, -0.0000351500000000 ] - [ 0.0032110000000000, 0.0006203700000000, 0.0041634800000000 ] - [ -0.1475625300000000, -0.1163155400000000, -0.1956450000000000 ] - [ -0.0002792200000000, 0.0003696500000000, 0.0009790100000000 ] - [ -0.0001800500000000, 0.0009349300000000, -0.0011434300000000 ] - [ -0.0004301100000000, 0.0019413300000000, 0.0005542200000000 ] - [ -0.0019439700000000, -0.0010646600000000, 0.0013227300000000 ] - [ -0.0003756000000000, -0.0001571300000000, -0.0025909900000000 ] - [ 0.0002002700000000, 0.0037871500000000, -0.0007019500000000 ] - [ -0.0019762700000000, 0.0009003700000000, 0.0028260000000000 ] - [ -0.0150225400000000, -0.0146211900000000, -0.0231684200000000 ] - [ 0.0059852100000000, -0.0002652800000000, -0.0012916100000000 ] - [ -0.0012617100000000, 0.0081663700000000, -0.0024975200000000 ] - [ -0.0104968600000000, -0.0075256000000000, 0.0164690600000000 ] - [ 0.0019714500000000, -0.0006888100000000, -0.0021255900000000 ] - [ 0.0000363000000000, 0.0005290400000000, -0.0021431900000000 ] - [ 0.0003669700000000, -0.0000750700000000, 0.0006416000000000 ] - [ 0.0003649200000000, -0.0000944300000000, 0.0012316300000000 ] - [ 0.0032436400000000, 0.0007386000000000, 0.0044005800000000 ] - [ 0.0000713400000000, 0.0005094000000000, 0.0001900800000000 ] - [ 0.0002501200000000, -0.0008339900000000, 0.0004473600000000 ] - [ 0.0007571100000000, -0.0007158800000000, 0.0028574000000000 ] - [ 0.0006984100000000, -0.0003398900000000, 0.0001332000000000 ] - [ -0.0006839100000000, 0.0001386500000000, 0.0007911500000000 ] - [ -0.0001072000000000, 0.0009414700000000, 0.0008197800000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026617700000000, -0.0025274100000000, -0.0051509200000000 ] - [ 0.0011211700000000, -0.0032288900000000, 0.0051118400000000 ] - [ 0.0000435700000000, -0.0005796500000000, 0.0003383500000000 ] - [ 0.0001724100000000, -0.0002797200000000, -0.0002063500000000 ] - [ 0.0001659400000000, -0.0005737200000000, -0.0001004500000000 ] - [ -0.0004942500000000, -0.0007228900000000, 0.0005156800000000 ] - [ -0.0000039500000000, -0.0001404800000000, -0.0001037600000000 ] - [ 0.0050434200000000, 0.0010998300000000, -0.0015619800000000 ] - [ 0.0396659000000000, 0.0339704800000000, 0.0018489200000000 ] - [ -0.0065779200000000, 0.0093334600000000, 0.0122174600000000 ] - [ 0.0001859400000000, -0.0002511700000000, -0.0007285600000000 ] - [ 0.0274913100000000, -0.0260340200000000, -0.0056833800000000 ] - [ -0.0000606800000000, -0.0005254900000000, 0.0002690600000000 ] - [ -0.0010954100000000, 0.0017643600000000, 0.0001988200000000 ] - [ 0.0021050900000000, 0.0021969400000000, 0.0005457700000000 ] - [ 0.0012214400000000, 0.0015691000000000, -0.0002087300000000 ] - [ 0.0008722200000000, 0.0000429300000000, -0.0003381300000000 ] - [ -0.0010530400000000, -0.0000190000000000, 0.0000332800000000 ] - [ -0.0067391300000000, 0.0104315000000000, -0.0081915500000000 ] - [ -0.0161642500000000, 0.0207933900000000, 0.0028965000000000 ] - [ 0.0037761200000000, 0.0008255300000000, 0.0015684100000000 ] - [ -0.7739113600000000, 0.0559283200000000, -0.0994877000000000 ] - [ -0.0036573100000000, 0.0006177000000000, -0.0005465800000000 ] - [ 0.0017209000000000, -0.0000679000000000, 0.0001651000000000 ] - [ 0.0224518100000000, 0.0015554200000000, 0.0023027400000000 ] - [ 0.0039820600000000, 0.0075875000000000, 0.0063301400000000 ] - [ 0.0058113400000000, 0.0011667400000000, 0.0006094500000000 ] - [ -0.0017378100000000, -0.0003881600000000, -0.0006482600000000 ] - [ -0.0017765400000000, 0.0020280800000000, -0.0111208200000000 ] - [ 0.0063406100000000, -0.0025404700000000, 0.0098773900000000 ] - [ 0.0014181700000000, 0.0004564900000000, 0.0007038800000000 ] - [ 0.0066355800000000, 0.0019571100000000, -0.0012081500000000 ] - [ -0.0004899100000000, 0.0002422800000000, -0.0005288900000000 ] - [ 0.0015855200000000, 0.0011197000000000, -0.0000203200000000 ] - [ 0.0005369400000000, 0.0002827400000000, 0.0002947100000000 ] - [ -0.0019824700000000, 0.0000693000000000, 0.0002796100000000 ] - [ -0.0023213100000000, 0.0016127800000000, 0.0002325400000000 ] - [ 0.0033227500000000, 0.0017464700000000, -0.0020873200000000 ] - [ -0.0212967900000000, 0.0010482400000000, -0.0033172000000000 ] - [ 0.0019370300000000, -0.0000128800000000, -0.0003449600000000 ] - [ 0.0009056200000000, -0.0000617500000000, 0.0007937500000000 ] - [ -0.0016295000000000, -0.0055329500000000, 0.0044408100000000 ] - [ 0.0035186400000000, -0.0012021500000000, 0.0017783200000000 ] - [ -0.0015478200000000, 0.0002305300000000, -0.0001437900000000 ] - [ 0.0004808900000000, 0.0000696200000000, -0.0002347800000000 ] - [ -0.0036606400000000, -0.0009959300000000, -0.0021665600000000 ] - [ -0.0032069300000000, 0.0002693100000000, 0.0000752700000000 ] - [ 0.0004907400000000, -0.0005417400000000, 0.0002109600000000 ] - [ -0.0045538200000000, -0.0001227600000000, -0.0006547100000000 ] - [ 0.0005874900000000, -0.0003938100000000, 0.0008147900000000 ] - [ 0.0127176400000000, -0.0025838000000000, -0.0036229600000000 ] - [ 0.0012726700000000, -0.0008478300000000, 0.0039020600000000 ] - [ 0.0611111400000000, -0.0071777400000000, -0.0090060800000000 ] - [ 0.0005085500000000, -0.0031428400000000, -0.0009662400000000 ] - [ -0.0010256600000000, -0.0007676200000000, -0.0002270000000000 ] - [ -0.0003576700000000, 0.0010317900000000, -0.0001685200000000 ] - [ -0.0024006500000000, -0.0107014100000000, 0.0118002300000000 ] - [ -0.0036044000000000, -0.0026954200000000, -0.0005225600000000 ] - [ 0.0005722900000000, 0.0005932100000000, 0.0002509200000000 ] - [ 0.0575572800000000, 0.0185861400000000, -0.0288452700000000 ] - [ -0.0041917900000000, 0.0001023600000000, 0.0008200600000000 ] - [ 0.0022590200000000, 0.0005475300000000, 0.0000708500000000 ] - [ 0.3640510100000000, 0.1105201500000000, 0.1061145600000000 ] - [ -0.0004171800000000, -0.0005093900000000, -0.0001473500000000 ] - [ 0.0010359700000000, -0.0008462200000000, 0.0002773900000000 ] - [ -0.0061410400000000, -0.0077151200000000, -0.0082967700000000 ] - [ 0.0094548100000000, -0.0142984900000000, 0.0036234000000000 ] - [ -0.0159804600000000, 0.0015294500000000, -0.0015609500000000 ] - [ -0.0007386700000000, -0.0007069800000000, -0.0036081400000000 ] - [ -0.0003214300000000, 0.0001773500000000, 0.0001344700000000 ] - [ -0.0002734900000000, 0.0001737500000000, 0.0003378900000000 ] - [ -0.0005760000000000, -0.0006192500000000, -0.0008090100000000 ] - [ 0.0004295300000000, 0.0009178100000000, 0.0002943300000000 ] - [ -0.0004440200000000, -0.0043693200000000, 0.0011308800000000 ] - [ -0.0006914000000000, 0.0004655200000000, -0.0001268000000000 ] - [ -0.0012924800000000, -0.0000442600000000, 0.0000289100000000 ] - [ -0.0023524900000000, 0.0005872100000000, -0.0002383000000000 ] - [ 0.0004606600000000, 0.0003652700000000, -0.0003207200000000 ] - [ -0.0002116100000000, -0.0000351100000000, 0.0001292100000000 ] - [ 0.0002005000000000, -0.0000194900000000, -0.0000107100000000 ] - [ -0.0007578100000000, -0.0000490000000000, 0.0003149900000000 ] - [ -0.0032813200000000, -0.0022851700000000, 0.0009497200000000 ] - [ 0.0001586900000000, -0.0001509800000000, -0.0002511500000000 ] - [ 0.0049352700000000, -0.0017414400000000, -0.0004516100000000 ] - [ -0.0142658100000000, -0.0031276100000000, 0.0009322800000000 ] - [ -0.0000927500000000, -0.0000886300000000, 0.0003975600000000 ] - [ 0.0069742700000000, 0.0101462400000000, -0.0012383300000000 ] - [ -0.0007105400000000, -0.0007693900000000, -0.0050779900000000 ] - [ 0.0009262700000000, -0.0005413000000000, 0.0003428200000000 ] - [ -0.0004851700000000, -0.0002982100000000, 0.0003472600000000 ] - [ -0.0037995700000000, 0.0012515000000000, 0.0008976300000000 ] - [ 0.0000448900000000, -0.0001175700000000, -0.0002115000000000 ] - [ -0.0007694900000000, -0.0003486400000000, -0.0002415200000000 ] - [ -0.0015026700000000, -0.0005074000000000, 0.0010269600000000 ] - [ 0.0006623200000000, 0.0002259900000000, 0.0000111400000000 ] - [ -0.0005140100000000, 0.0013193100000000, 0.0038937800000000 ] - [ -0.0002438400000000, -0.0006779400000000, -0.0005472100000000 ] - [ 0.0001974400000000, -0.0055046200000000, -0.0005541700000000 ] - [ -0.0012754700000000, 0.0010946200000000, 0.0004219900000000 ] - [ -0.0011776800000000, -0.0009563800000000, 0.0000138400000000 ] - [ 0.0031165100000000, -0.0024781500000000, 0.0005747000000000 ] - [ -0.0001386300000000, 0.0001321000000000, -0.0000231900000000 ] - [ -0.0011672400000000, -0.0010904700000000, -0.0005430700000000 ] - [ -0.0016241600000000, -0.0010086300000000, 0.0020868900000000 ] - [ -0.0006496300000000, 0.0001383000000000, 0.0002773500000000 ] - [ -0.0010904400000000, -0.0014397000000000, 0.0000128300000000 ] - [ -0.0024162600000000, 0.0000375600000000, -0.0006554900000000 ] - [ 0.0013673300000000, -0.0016290400000000, 0.0004038000000000 ] - [ -0.0006949800000000, -0.0005904400000000, 0.0015201300000000 ] - [ 0.2566319200000000, -0.1879547700000000, 0.0126473600000000 ] - [ -0.0015863300000000, 0.0034926000000000, 0.0119324800000000 ] - [ 0.0004839100000000, -0.0002576800000000, -0.0003183700000000 ] - [ 0.0000904300000000, 0.0018233700000000, -0.0026810900000000 ] - [ 0.0018584900000000, -0.0001770400000000, -0.0005223900000000 ] - [ 0.0012650100000000, 0.0010650000000000, -0.0004796400000000 ] - [ 0.0007126100000000, -0.0001264000000000, -0.0002199900000000 ] - [ 0.0000514700000000, 0.0001834500000000, 0.0002116700000000 ] - [ -0.0042543100000000, 0.0022877000000000, -0.0049060700000000 ] - [ -0.0016129000000000, -0.0005053800000000, -0.0001361100000000 ] - [ 0.0017319700000000, -0.0005659400000000, -0.0002658100000000 ]- atom: 22 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0024951200000000, 0.0025170300000000, 0.0051104400000000 ] - [ -0.0012864900000000, 0.0032316800000000, -0.0051012800000000 ] - [ 0.0001136400000000, 0.0005783700000000, -0.0003365700000000 ] - [ -0.0003247600000000, 0.0002803500000000, 0.0002059200000000 ] - [ -0.0001695100000000, -0.0002619300000000, 0.0000928000000000 ] - [ 0.0004871000000000, 0.0015351500000000, -0.0005123200000000 ] - [ -0.0000015100000000, 0.0005298500000000, 0.0000996400000000 ] - [ -0.0038599700000000, -0.0011107800000000, 0.0015942800000000 ] - [ -0.0395170500000000, -0.0341434800000000, -0.0017049400000000 ] - [ 0.0054627900000000, -0.0093152800000000, -0.0122851900000000 ] - [ -0.0001794000000000, -0.0005879500000000, 0.0007224800000000 ] - [ -0.0274562600000000, 0.0271148800000000, 0.0056631200000000 ] - [ 0.0000664700000000, 0.0009184500000000, -0.0002711500000000 ] - [ 0.0022651600000000, -0.0017672100000000, -0.0002019500000000 ] - [ -0.0020763000000000, -0.0025920800000000, -0.0005398800000000 ] - [ -0.0023919500000000, -0.0015670800000000, 0.0002069700000000 ] - [ -0.0002010000000000, 0.0008074000000000, -0.0001406800000000 ] - [ 0.0003709000000000, 0.0008682100000000, 0.0004496100000000 ] - [ 0.0060087900000000, -0.0112354900000000, 0.0076682400000000 ] - [ 0.0152968200000000, -0.0208285700000000, -0.0033953100000000 ] - [ -0.0030167800000000, -0.0006703300000000, -0.0020426500000000 ] - [ 0.7626794700000000, -0.0763399400000000, 0.0908659000000000 ] - [ 0.0028974700000000, -0.0004678600000000, 0.0010025200000000 ] - [ -0.0017129600000000, -0.0005215800000000, -0.0000015500000000 ] - [ -0.0224763700000000, -0.0010275600000000, -0.0024380700000000 ] - [ -0.0033155200000000, -0.0084448300000000, -0.0058369200000000 ] - [ -0.0050477000000000, -0.0013751400000000, -0.0001553800000000 ] - [ 0.0017325300000000, -0.0001872000000000, 0.0004898500000000 ] - [ 0.0024850100000000, -0.0011648800000000, 0.0106538600000000 ] - [ -0.0070056800000000, 0.0034111800000000, -0.0094112100000000 ] - [ -0.0020777500000000, -0.0013275200000000, -0.0011985100000000 ] - [ -0.0073968600000000, -0.0020968900000000, 0.0007578000000000 ] - [ 0.0012477900000000, -0.0000916600000000, 0.0000611000000000 ] - [ -0.0015873100000000, -0.0005403900000000, 0.0001837500000000 ] - [ -0.0012936700000000, -0.0001320700000000, 0.0001698800000000 ] - [ 0.0019879300000000, -0.0006520700000000, -0.0001179200000000 ] - [ 0.0023196400000000, -0.0010431800000000, -0.0004032000000000 ] - [ -0.0025929100000000, -0.0026079300000000, 0.0025616400000000 ] - [ 0.0219928400000000, -0.0012509600000000, 0.0037825900000000 ] - [ -0.0019423300000000, -0.0005695100000000, 0.0001800300000000 ] - [ -0.0009033500000000, 0.0001729700000000, -0.0006812200000000 ] - [ 0.0028067200000000, 0.0058944900000000, -0.0040691100000000 ] - [ -0.0023337300000000, 0.0007597000000000, -0.0020746200000000 ] - [ 0.0003416100000000, 0.0002262800000000, -0.0001444200000000 ] - [ -0.0005346900000000, 0.0001209700000000, -0.0000892600000000 ] - [ 0.0024629100000000, 0.0005487800000000, 0.0024729700000000 ] - [ 0.0022786600000000, -0.0009657400000000, -0.0001883900000000 ] - [ 0.0004670700000000, 0.0002067500000000, 0.0000835600000000 ] - [ 0.0045585000000000, 0.0000199700000000, 0.0007690300000000 ] - [ -0.0008228600000000, 0.0001941800000000, -0.0000890900000000 ] - [ -0.0117160900000000, 0.0018927800000000, 0.0037146600000000 ] - [ -0.0007257900000000, 0.0008770800000000, -0.0034910600000000 ] - [ -0.0612436100000000, 0.0080207900000000, 0.0105938100000000 ] - [ -0.0014641200000000, 0.0034831800000000, 0.0012619000000000 ] - [ 0.0010879300000000, 0.0005873700000000, -0.0000963200000000 ] - [ -0.0001669400000000, -0.0001674600000000, 0.0000539300000000 ] - [ 0.0029299200000000, 0.0097616900000000, -0.0118662100000000 ] - [ 0.0046342100000000, 0.0029398400000000, 0.0006401500000000 ] - [ -0.0009144100000000, 0.0004924700000000, 0.0004929000000000 ] - [ -0.0574490700000000, -0.0183206000000000, 0.0282227000000000 ] - [ 0.0044444800000000, 0.0001289200000000, -0.0000899000000000 ] - [ -0.0013270300000000, 0.0001715300000000, -0.0001795400000000 ] - [ -0.3442728400000000, -0.1034928400000000, -0.0987247200000000 ] - [ -0.0005360000000000, 0.0001769400000000, -0.0001475200000000 ] - [ -0.0010961700000000, 0.0006659100000000, 0.0000492900000000 ] - [ 0.0056352800000000, 0.0068570200000000, 0.0084323000000000 ] - [ -0.0104530400000000, 0.0145343900000000, -0.0037316900000000 ] - [ 0.0162799000000000, -0.0026350700000000, 0.0022835700000000 ] - [ 0.0001984100000000, 0.0007415900000000, 0.0032142500000000 ] - [ 0.0003823200000000, 0.0000085600000000, 0.0001894900000000 ] - [ -0.0002669900000000, -0.0002033200000000, 0.0000604800000000 ] - [ 0.0008100700000000, 0.0004202800000000, 0.0000839800000000 ] - [ 0.0001006100000000, -0.0000497000000000, -0.0001784300000000 ] - [ 0.0014052200000000, 0.0046970500000000, -0.0014191300000000 ] - [ 0.0010402300000000, 0.0006260700000000, -0.0006157100000000 ] - [ 0.0012965000000000, 0.0001633700000000, -0.0001771200000000 ] - [ 0.0014241900000000, 0.0001274400000000, 0.0003532700000000 ] - [ 0.0000866000000000, -0.0003943600000000, -0.0000801400000000 ] - [ -0.0008141400000000, -0.0002192800000000, -0.0000040200000000 ] - [ 0.0008265400000000, -0.0002340000000000, -0.0001133800000000 ] - [ 0.0007537900000000, 0.0001650300000000, -0.0001711800000000 ] - [ 0.0044887600000000, 0.0027379400000000, -0.0006564500000000 ] - [ 0.0010339700000000, -0.0002931200000000, -0.0000517200000000 ] - [ -0.0060988100000000, 0.0021856200000000, 0.0001334800000000 ] - [ 0.0142780200000000, 0.0032969800000000, -0.0012773200000000 ] - [ -0.0010955700000000, -0.0003542700000000, -0.0000936100000000 ] - [ -0.0078973700000000, -0.0107915000000000, 0.0011190200000000 ] - [ 0.0016377500000000, 0.0004372000000000, 0.0053728800000000 ] - [ -0.0009207100000000, 0.0004278700000000, -0.0001980900000000 ] - [ 0.0002509100000000, 0.0000989200000000, 0.0003802500000000 ] - [ 0.0047263400000000, -0.0019789300000000, -0.0007883000000000 ] - [ 0.0004948000000000, 0.0001543100000000, 0.0006213800000000 ] - [ 0.0007648600000000, 0.0002329900000000, 0.0001003500000000 ] - [ 0.0005286900000000, 0.0008621600000000, -0.0007380300000000 ] - [ -0.0006044800000000, -0.0004093300000000, -0.0003362400000000 ] - [ -0.0000179300000000, -0.0004556000000000, -0.0040030400000000 ] - [ 0.0007634800000000, -0.0001811300000000, 0.0004312600000000 ] - [ 0.0008022200000000, 0.0057003800000000, 0.0006574800000000 ] - [ 0.0009280400000000, -0.0000068400000000, 0.0003231600000000 ] - [ 0.0009431100000000, 0.0011541700000000, -0.0007428200000000 ] - [ -0.0028715600000000, 0.0026996700000000, 0.0001518000000000 ] - [ 0.0010664900000000, 0.0005863800000000, -0.0000868300000000 ] - [ 0.0008170200000000, 0.0000039900000000, -0.0002020500000000 ] - [ 0.0006537000000000, 0.0006581500000000, -0.0023921100000000 ] - [ 0.0005849600000000, -0.0003142600000000, 0.0000479300000000 ] - [ 0.0005515600000000, 0.0005734800000000, 0.0000985300000000 ] - [ 0.0013771100000000, 0.0002365800000000, 0.0005275800000000 ] - [ -0.0010211300000000, 0.0005404300000000, 0.0003412100000000 ] - [ 0.0001440000000000, 0.0006245300000000, -0.0019169200000000 ] - [ -0.2658457300000000, 0.1996143300000000, -0.0135168200000000 ] - [ 0.0010347900000000, -0.0035434900000000, -0.0115361800000000 ] - [ -0.0002492000000000, 0.0000592600000000, -0.0004078300000000 ] - [ 0.0004332900000000, -0.0009638100000000, 0.0028010600000000 ] - [ -0.0009244600000000, 0.0005101900000000, 0.0002307300000000 ] - [ -0.0009185800000000, 0.0000233600000000, -0.0002646500000000 ] - [ -0.0007092400000000, 0.0002425700000000, 0.0000794900000000 ] - [ -0.0009814800000000, 0.0005349500000000, -0.0000993100000000 ] - [ 0.0047767400000000, -0.0023371600000000, 0.0045062400000000 ] - [ 0.0005834400000000, 0.0002479700000000, 0.0002623900000000 ] - [ -0.0007077700000000, 0.0003128700000000, 0.0001442600000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032615700000000, -0.0027960400000000, 0.0005463800000000 ] - [ -0.0022898100000000, -0.0038281000000000, 0.0000703200000000 ] - [ -0.0002591400000000, 0.0023915700000000, -0.0005899800000000 ] - [ -0.0000846500000000, 0.0023801900000000, 0.0003160600000000 ] - [ 0.0000312900000000, -0.0011226700000000, -0.0007430300000000 ] - [ -0.0085018400000000, 0.0102375000000000, 0.0027388900000000 ] - [ -0.0009709000000000, 0.0008583000000000, 0.0000273100000000 ] - [ 0.0043431500000000, -0.0075101100000000, 0.0002280100000000 ] - [ 0.0217836100000000, 0.0102674600000000, 0.0025381300000000 ] - [ 0.0170922500000000, -0.0074285900000000, 0.0185634900000000 ] - [ 0.0012166000000000, 0.0008958000000000, -0.0010770600000000 ] - [ -0.0288046900000000, 0.0268962400000000, 0.0059650800000000 ] - [ 0.0001396600000000, 0.0004070600000000, 0.0001350500000000 ] - [ 0.0005436600000000, 0.0046804500000000, 0.0007867700000000 ] - [ 0.0079819600000000, 0.0102861300000000, 0.0011619000000000 ] - [ -0.0000091500000000, 0.0047039000000000, -0.0006602500000000 ] - [ 0.0001928600000000, 0.0040285200000000, -0.0031803200000000 ] - [ -0.0018312600000000, 0.0051987100000000, 0.0038637100000000 ] - [ 0.0043320200000000, 0.0028023900000000, -0.0090037300000000 ] - [ -0.0073311800000000, 0.0834144600000000, -0.0260574300000000 ] - [ -0.0001200300000000, -0.0037539500000000, -0.0019822700000000 ] - [ 0.0720294600000000, -0.6064486300000000, -0.0750502100000000 ] - [ -0.0001605100000000, -0.0064040100000000, 0.0028584300000000 ] - [ 0.0002297700000000, -0.0037059300000000, -0.0004438200000000 ] - [ -0.0012771500000000, -0.0152424200000000, 0.0000606400000000 ] - [ 0.0011193800000000, 0.0027161400000000, 0.0051490300000000 ] - [ 0.0009089900000000, -0.0071127400000000, 0.0007868900000000 ] - [ 0.0000988000000000, -0.0009315700000000, 0.0045656400000000 ] - [ -0.0016848600000000, -0.0083375000000000, 0.0142721400000000 ] - [ -0.0015260000000000, -0.0051913800000000, -0.0125349200000000 ] - [ 0.0045657000000000, 0.0037757500000000, 0.0016182400000000 ] - [ -0.0018632200000000, 0.0055998600000000, 0.0016020700000000 ] - [ -0.0000665600000000, 0.0040152300000000, 0.0002869400000000 ] - [ 0.0008284600000000, 0.0066353800000000, -0.0004748700000000 ] - [ 0.0002845500000000, 0.0032254800000000, -0.0004129900000000 ] - [ 0.0003621000000000, 0.0026864500000000, 0.0004698500000000 ] - [ -0.0013300300000000, 0.0131973300000000, 0.0027775300000000 ] - [ 0.0121364100000000, 0.0050845000000000, -0.0073734300000000 ] - [ 0.0045849700000000, 0.0222086700000000, -0.0063249400000000 ] - [ -0.0002796000000000, 0.0025049500000000, -0.0010173100000000 ] - [ 0.0000845200000000, -0.0007194400000000, -0.0075656900000000 ] - [ -0.0063776500000000, -0.0098184300000000, 0.0115789200000000 ] - [ -0.0010865800000000, 0.0026362000000000, -0.0036819000000000 ] - [ -0.0019750600000000, 0.0010042600000000, 0.0003153900000000 ] - [ -0.0016255800000000, -0.0064108700000000, -0.0005582700000000 ] - [ 0.0004159900000000, 0.0016555300000000, 0.0026996700000000 ] - [ 0.0018552100000000, 0.0012674700000000, -0.0007334600000000 ] - [ 0.0020929000000000, -0.0038033900000000, -0.0003120300000000 ] - [ -0.0006381000000000, 0.0046766200000000, -0.0029804500000000 ] - [ -0.0001562300000000, 0.0041266600000000, -0.0016732300000000 ] - [ 0.0159791300000000, -0.0156211400000000, -0.0000348800000000 ] - [ -0.0001612100000000, 0.0006840600000000, 0.0041128500000000 ] - [ -0.0108218300000000, 0.1231779100000000, 0.1130825600000000 ] - [ 0.0002511200000000, -0.0025183600000000, -0.0011167300000000 ] - [ -0.0006268900000000, -0.0010816600000000, 0.0000326500000000 ] - [ 0.0002093400000000, -0.0000835700000000, 0.0006668100000000 ] - [ -0.0025319300000000, -0.0023087700000000, 0.0057643900000000 ] - [ -0.0010478500000000, -0.0016673400000000, -0.0007914300000000 ] - [ 0.0005649200000000, 0.0004109300000000, -0.0003767200000000 ] - [ 0.0260103600000000, 0.0932963700000000, -0.0581788700000000 ] - [ -0.0003469900000000, 0.0077660700000000, 0.0025942000000000 ] - [ 0.0009348100000000, 0.0020144300000000, -0.0003282000000000 ] - [ 0.1057354700000000, 0.0903920700000000, 0.0344641800000000 ] - [ -0.0014181100000000, -0.0029618600000000, 0.0001565500000000 ] - [ 0.0005800600000000, -0.0010953600000000, 0.0002567300000000 ] - [ -0.0024232600000000, -0.0020755500000000, -0.0039274600000000 ] - [ -0.0029212900000000, -0.0070700000000000, 0.0014446400000000 ] - [ -0.0045057900000000, 0.0031540700000000, 0.0008341600000000 ] - [ -0.0001947300000000, 0.0001377600000000, -0.0025653400000000 ] - [ 0.0014049100000000, -0.0026296300000000, 0.0000350900000000 ] - [ 0.0013571500000000, -0.0022032500000000, 0.0027161600000000 ] - [ 0.0000944600000000, 0.0028632900000000, 0.0005199900000000 ] - [ 0.0006609200000000, -0.0003538300000000, -0.0009612600000000 ] - [ -0.0020985600000000, -0.0037519800000000, 0.0013044600000000 ] - [ 0.0008255200000000, 0.0013736100000000, -0.0005147900000000 ] - [ -0.0001125100000000, 0.0016186700000000, -0.0003745500000000 ] - [ -0.0005931000000000, 0.0015853900000000, 0.0002102900000000 ] - [ 0.0016315000000000, -0.0028141100000000, -0.0031788700000000 ] - [ -0.0007679600000000, -0.0012684800000000, 0.0002004000000000 ] - [ 0.0008151500000000, -0.0009623900000000, -0.0000639700000000 ] - [ -0.0000052000000000, -0.0010911700000000, 0.0003443800000000 ] - [ 0.0004554400000000, -0.0010219000000000, -0.0009111400000000 ] - [ 0.0011090100000000, -0.0013502800000000, 0.0009038400000000 ] - [ -0.0033996300000000, -0.0019611000000000, 0.0037170500000000 ] - [ 0.0104953400000000, 0.0056765200000000, -0.0033688100000000 ] - [ -0.0009558000000000, -0.0015833300000000, -0.0009390300000000 ] - [ -0.0014866600000000, -0.0097224000000000, 0.0015081600000000 ] - [ -0.0047807300000000, 0.0092570100000000, 0.0033147900000000 ] - [ 0.0000637800000000, -0.0034582100000000, 0.0001965900000000 ] - [ -0.0001972200000000, -0.0025950700000000, 0.0011365600000000 ] - [ 0.0029631900000000, -0.0029082100000000, -0.0009179100000000 ] - [ -0.0004511000000000, -0.0014428500000000, -0.0015845100000000 ] - [ -0.0001802500000000, -0.0021748600000000, -0.0005990200000000 ] - [ -0.0055120000000000, 0.0023794900000000, 0.0025028600000000 ] - [ -0.0002040400000000, -0.0004015400000000, -0.0008631600000000 ] - [ 0.0003689500000000, 0.0001620200000000, -0.0048099400000000 ] - [ -0.0013231800000000, -0.0025506400000000, -0.0012849100000000 ] - [ -0.0072025000000000, -0.0174366200000000, -0.0018958400000000 ] - [ 0.0004910800000000, -0.0004644300000000, 0.0003972300000000 ] - [ 0.0000155000000000, -0.0043911100000000, 0.0006347400000000 ] - [ -0.0002119000000000, -0.0101167900000000, -0.0018775400000000 ] - [ -0.0004554800000000, -0.0008935600000000, -0.0000006500000000 ] - [ -0.0019148000000000, -0.0032340200000000, -0.0006189000000000 ] - [ 0.0011738700000000, 0.0060277900000000, -0.0018690600000000 ] - [ -0.0013052100000000, 0.0012061000000000, 0.0003860900000000 ] - [ -0.0033728600000000, -0.0039679200000000, 0.0008749500000000 ] - [ -0.0033967800000000, 0.0013001700000000, -0.0010572600000000 ] - [ 0.0025104700000000, -0.0065605500000000, 0.0000783600000000 ] - [ -0.0019077900000000, -0.0015851300000000, 0.0037972000000000 ] - [ -0.1960743600000000, 0.2298132300000000, -0.0077935700000000 ] - [ 0.0030439300000000, -0.0015682600000000, -0.0138250000000000 ] - [ 0.0001879400000000, -0.0028419700000000, -0.0009953200000000 ] - [ 0.0000520000000000, 0.0006384000000000, 0.0030066100000000 ] - [ -0.0048686400000000, -0.0037806900000000, -0.0030618400000000 ] - [ -0.0005309200000000, -0.0004457200000000, -0.0002604100000000 ] - [ -0.0000320500000000, -0.0012225900000000, -0.0001141600000000 ] - [ 0.0001647700000000, -0.0010901000000000, 0.0003479300000000 ] - [ 0.0047414200000000, -0.0008955900000000, 0.0080703100000000 ] - [ 0.0000780400000000, 0.0008958000000000, 0.0002337700000000 ] - [ -0.0003713300000000, 0.0014933900000000, -0.0003373300000000 ]- atom: 22 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0034084700000000, 0.0028103900000000, -0.0005380100000000 ] - [ 0.0021276300000000, 0.0038388300000000, -0.0000806300000000 ] - [ 0.0004085800000000, -0.0023928800000000, 0.0005836000000000 ] - [ -0.0000720400000000, -0.0023799100000000, -0.0003121000000000 ] - [ -0.0000289300000000, 0.0002737200000000, 0.0007394100000000 ] - [ 0.0085604800000000, -0.0094282300000000, -0.0027580300000000 ] - [ 0.0009691100000000, -0.0004545500000000, -0.0000297400000000 ] - [ -0.0031703600000000, 0.0075151900000000, -0.0002455200000000 ] - [ -0.0215849400000000, -0.0107302700000000, -0.0025426400000000 ] - [ -0.0183279700000000, 0.0075502900000000, -0.0186274500000000 ] - [ -0.0012142000000000, -0.0017226600000000, 0.0010728900000000 ] - [ 0.0285891400000000, -0.0261483600000000, -0.0059862400000000 ] - [ -0.0001413300000000, -0.0000279100000000, -0.0001247400000000 ] - [ 0.0006350400000000, -0.0046789200000000, -0.0007686500000000 ] - [ -0.0080283200000000, -0.0106915800000000, -0.0011560000000000 ] - [ -0.0011544600000000, -0.0047025800000000, 0.0006535600000000 ] - [ 0.0004860600000000, -0.0031681800000000, 0.0027180900000000 ] - [ 0.0011598100000000, -0.0043420100000000, -0.0034080900000000 ] - [ -0.0049647000000000, -0.0036773800000000, 0.0084685200000000 ] - [ 0.0064023400000000, -0.0839588400000000, 0.0261752100000000 ] - [ 0.0008863700000000, 0.0039054100000000, 0.0015305200000000 ] - [ -0.0603547900000000, 0.6067465600000000, 0.0749201300000000 ] - [ -0.0006019100000000, 0.0065440400000000, -0.0023894000000000 ] - [ -0.0002235800000000, 0.0031321400000000, 0.0006075200000000 ] - [ 0.0013055200000000, 0.0158630000000000, -0.0002225100000000 ] - [ -0.0004313100000000, -0.0035837100000000, -0.0046500100000000 ] - [ -0.0001412600000000, 0.0070049900000000, -0.0003241800000000 ] - [ -0.0001023800000000, 0.0003667400000000, -0.0047168000000000 ] - [ 0.0023576900000000, 0.0091503600000000, -0.0147213900000000 ] - [ 0.0008709000000000, 0.0060099400000000, 0.0130485300000000 ] - [ -0.0052558700000000, -0.0046214500000000, -0.0021172400000000 ] - [ 0.0011144300000000, -0.0057626800000000, -0.0020611700000000 ] - [ 0.0008219900000000, -0.0038597500000000, -0.0007633400000000 ] - [ -0.0008312100000000, -0.0060569700000000, 0.0006382300000000 ] - [ -0.0010405400000000, -0.0030722200000000, 0.0008824800000000 ] - [ -0.0003602000000000, -0.0032764100000000, -0.0003027500000000 ] - [ 0.0013254300000000, -0.0126006000000000, -0.0029173600000000 ] - [ -0.0114311100000000, -0.0059136700000000, 0.0078689600000000 ] - [ -0.0038501600000000, -0.0222381000000000, 0.0067002900000000 ] - [ 0.0002780000000000, -0.0030938600000000, 0.0008505600000000 ] - [ -0.0000826400000000, 0.0008166600000000, 0.0076584100000000 ] - [ 0.0075771400000000, 0.0101397900000000, -0.0112245500000000 ] - [ 0.0022745600000000, -0.0030722500000000, 0.0033741700000000 ] - [ 0.0007871200000000, -0.0005681800000000, -0.0006193400000000 ] - [ 0.0015627500000000, 0.0066003000000000, 0.0002314500000000 ] - [ -0.0016206000000000, -0.0020993300000000, -0.0024080800000000 ] - [ -0.0028020200000000, -0.0019993600000000, 0.0006263100000000 ] - [ -0.0011382500000000, 0.0034666900000000, 0.0006116300000000 ] - [ 0.0006393800000000, -0.0048107200000000, 0.0031363900000000 ] - [ -0.0000784400000000, -0.0043212900000000, 0.0023925300000000 ] - [ -0.0150224500000000, 0.0149415200000000, 0.0000919700000000 ] - [ 0.0006983900000000, -0.0006407100000000, -0.0036923600000000 ] - [ 0.0111634200000000, -0.1242931900000000, -0.1173805100000000 ] - [ -0.0012171900000000, 0.0028650600000000, 0.0014036300000000 ] - [ 0.0006866800000000, 0.0009043500000000, -0.0003566100000000 ] - [ -0.0007353000000000, 0.0009410100000000, -0.0007873300000000 ] - [ 0.0030415200000000, 0.0014685800000000, -0.0058719200000000 ] - [ 0.0020610900000000, 0.0019291300000000, 0.0009140600000000 ] - [ -0.0009047700000000, 0.0006690000000000, 0.0011168000000000 ] - [ -0.0281533000000000, -0.0971263400000000, 0.0620920800000000 ] - [ 0.0005746900000000, -0.0075976900000000, -0.0018733800000000 ] - [ -0.0000020100000000, -0.0012914100000000, 0.0002176800000000 ] - [ -0.1054222100000000, -0.0926203800000000, -0.0347700000000000 ] - [ 0.0004575900000000, 0.0026204400000000, -0.0004560200000000 ] - [ -0.0006408600000000, 0.0009187000000000, 0.0000681600000000 ] - [ 0.0018859200000000, 0.0012282300000000, 0.0040339800000000 ] - [ 0.0018697600000000, 0.0072764900000000, -0.0015388300000000 ] - [ 0.0048656700000000, -0.0042427400000000, -0.0001021300000000 ] - [ -0.0003477300000000, -0.0000988800000000, 0.0021548600000000 ] - [ -0.0013495300000000, 0.0028112600000000, 0.0002904000000000 ] - [ -0.0019096900000000, 0.0021751000000000, -0.0023282500000000 ] - [ 0.0001378100000000, -0.0030658600000000, -0.0012507000000000 ] - [ -0.0001360000000000, 0.0012107900000000, 0.0010856700000000 ] - [ 0.0030444600000000, 0.0040908300000000, -0.0015909800000000 ] - [ -0.0004805800000000, -0.0002890800000000, -0.0002292800000000 ] - [ 0.0001158900000000, -0.0015029500000000, 0.0002352700000000 ] - [ -0.0003425500000000, -0.0008640100000000, -0.0001016300000000 ] - [ -0.0010999900000000, 0.0027891100000000, 0.0027933400000000 ] - [ -0.0002597600000000, 0.0010099200000000, -0.0000734600000000 ] - [ 0.0002116800000000, 0.0007057700000000, -0.0000612800000000 ] - [ 0.0000003300000000, 0.0012105000000000, -0.0001970500000000 ] - [ 0.0007368100000000, 0.0014710100000000, 0.0012094600000000 ] - [ 0.0000798900000000, 0.0009058600000000, -0.0012112800000000 ] - [ 0.0021850800000000, 0.0024062900000000, -0.0039802100000000 ] - [ -0.0106086800000000, -0.0054999600000000, 0.0030708600000000 ] - [ -0.0002336200000000, 0.0011391800000000, 0.0012497700000000 ] - [ 0.0005765300000000, 0.0089667400000000, -0.0016052600000000 ] - [ 0.0057007200000000, -0.0095614800000000, -0.0030660700000000 ] - [ -0.0000613300000000, 0.0033372900000000, -0.0000687300000000 ] - [ -0.0000376800000000, 0.0023967900000000, -0.0004101100000000 ] - [ -0.0020340600000000, 0.0022001700000000, 0.0010309800000000 ] - [ 0.0009926700000000, 0.0014737300000000, 0.0019944500000000 ] - [ 0.0001762100000000, 0.0020590200000000, 0.0004582900000000 ] - [ 0.0045570400000000, -0.0020546900000000, -0.0022087600000000 ] - [ 0.0002579000000000, 0.0002091000000000, 0.0005358700000000 ] - [ -0.0008972900000000, 0.0007096300000000, 0.0046925600000000 ] - [ 0.0018590300000000, 0.0016796800000000, 0.0011840500000000 ] - [ 0.0082543200000000, 0.0177080100000000, 0.0019671800000000 ] - [ -0.0008408800000000, 0.0015578700000000, 0.0003461700000000 ] - [ -0.0002517300000000, 0.0045951500000000, -0.0013633500000000 ] - [ 0.0004500200000000, 0.0102846400000000, 0.0026029900000000 ] - [ 0.0013829100000000, 0.0016090400000000, -0.0001111200000000 ] - [ 0.0015707000000000, 0.0021439900000000, -0.0001253600000000 ] - [ -0.0021250700000000, -0.0063494800000000, 0.0015772700000000 ] - [ 0.0012460000000000, -0.0013911700000000, -0.0000599700000000 ] - [ 0.0028433800000000, 0.0030923200000000, -0.0007841800000000 ] - [ 0.0023808400000000, -0.0010577700000000, 0.0009359500000000 ] - [ -0.0021553800000000, 0.0054707200000000, 0.0006620600000000 ] - [ 0.0013604200000000, 0.0016123200000000, -0.0041972100000000 ] - [ 0.1856159400000000, -0.2227546100000000, 0.0071820900000000 ] - [ -0.0035434600000000, 0.0015518200000000, 0.0141969300000000 ] - [ 0.0000470400000000, 0.0026430700000000, 0.0002704300000000 ] - [ 0.0004787000000000, 0.0002428100000000, -0.0029064800000000 ] - [ 0.0058335900000000, 0.0040950100000000, 0.0027803900000000 ] - [ 0.0008823000000000, 0.0015401300000000, -0.0004849500000000 ] - [ 0.0000361100000000, 0.0013424100000000, -0.0000352200000000 ] - [ -0.0010921300000000, 0.0018044100000000, -0.0002334200000000 ] - [ -0.0042216700000000, 0.0009003100000000, -0.0085017100000000 ] - [ -0.0011054300000000, -0.0011483100000000, -0.0001135900000000 ] - [ 0.0013988900000000, -0.0017438000000000, 0.0002096600000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0070660500000000, 0.0007578400000000, 0.0020846700000000 ] - [ 0.0037505100000000, -0.0005815200000000, 0.0044577400000000 ] - [ 0.0000397200000000, -0.0003960300000000, -0.0003525700000000 ] - [ -0.0002619100000000, -0.0003291100000000, 0.0003959900000000 ] - [ 0.0000783500000000, -0.0012426100000000, 0.0034315700000000 ] - [ 0.0050479300000000, -0.0037780700000000, -0.0059402600000000 ] - [ -0.0012366800000000, 0.0017055600000000, 0.0030748800000000 ] - [ -0.0037681000000000, 0.0011751800000000, 0.0029519900000000 ] - [ 0.0096185600000000, 0.0093145400000000, -0.0050966900000000 ] - [ 0.0307044700000000, 0.0134222500000000, 0.0500932900000000 ] - [ 0.0002867700000000, 0.0011643000000000, 0.0053027400000000 ] - [ 0.0019070300000000, -0.0018389900000000, -0.0056304000000000 ] - [ -0.0006127200000000, -0.0007683800000000, 0.0042451400000000 ] - [ 0.0002828500000000, -0.0001965400000000, 0.0011501800000000 ] - [ -0.0059025300000000, -0.0042671100000000, -0.0043400800000000 ] - [ -0.0012514200000000, -0.0004191900000000, -0.0006159300000000 ] - [ 0.0012306600000000, -0.0009628200000000, 0.0023800200000000 ] - [ -0.0007133300000000, 0.0034578400000000, -0.0007081600000000 ] - [ -0.0026617500000000, -0.0050563200000000, -0.0002134700000000 ] - [ 0.0125994700000000, -0.0663466700000000, -0.0047868700000000 ] - [ 0.0008919800000000, 0.0003498100000000, 0.0045283500000000 ] - [ -0.0958821400000000, -0.0667471300000000, -0.5325437000000000 ] - [ -0.0002733900000000, -0.0025590700000000, 0.0094782300000000 ] - [ -0.0000804700000000, 0.0002290400000000, 0.0052719100000000 ] - [ 0.0023749200000000, 0.0001563100000000, -0.0039561900000000 ] - [ 0.0021549700000000, 0.0025306300000000, 0.0034264400000000 ] - [ 0.0004141000000000, 0.0005435700000000, -0.0061260000000000 ] - [ 0.0005667700000000, 0.0043378300000000, 0.0151986200000000 ] - [ -0.0021011300000000, 0.0060657700000000, 0.0044749100000000 ] - [ 0.0099015700000000, -0.0131593200000000, -0.0009845900000000 ] - [ 0.0076834300000000, 0.0119223200000000, -0.0032013600000000 ] - [ 0.0004009500000000, 0.0003580700000000, -0.0015160700000000 ] - [ 0.0003094100000000, 0.0009986500000000, 0.0013363400000000 ] - [ -0.0001043700000000, -0.0002618900000000, -0.0017604400000000 ] - [ -0.0004712000000000, -0.0003436200000000, 0.0024121800000000 ] - [ -0.0001949100000000, -0.0006706400000000, 0.0022453200000000 ] - [ 0.0003222100000000, -0.0025590300000000, -0.0013880900000000 ] - [ -0.0085891300000000, -0.0070745300000000, 0.0073931200000000 ] - [ -0.0034622300000000, -0.0022525000000000, -0.0069230800000000 ] - [ 0.0002582600000000, -0.0012208800000000, 0.0012314900000000 ] - [ 0.0011072800000000, -0.0043606700000000, -0.0160320800000000 ] - [ 0.0059158500000000, 0.0098658300000000, -0.0085239300000000 ] - [ 0.0003900400000000, -0.0006637700000000, -0.0052271400000000 ] - [ -0.0034959300000000, -0.0004277600000000, 0.0034710800000000 ] - [ 0.0000452800000000, 0.0023420100000000, 0.0006730600000000 ] - [ -0.0039630900000000, 0.0005363700000000, -0.0022593400000000 ] - [ -0.0015756900000000, -0.0010008400000000, 0.0022648000000000 ] - [ 0.0009130500000000, -0.0009664400000000, 0.0004352000000000 ] - [ -0.0000324400000000, -0.0007539700000000, 0.0016061500000000 ] - [ -0.0005546000000000, 0.0025060500000000, -0.0050495400000000 ] - [ -0.0145616200000000, 0.0141053900000000, 0.0066723500000000 ] - [ 0.0012406600000000, 0.0013345500000000, -0.0002399700000000 ] - [ -0.0131952900000000, 0.1119199900000000, 0.2403485700000000 ] - [ -0.0004405900000000, -0.0006457900000000, -0.0004860000000000 ] - [ 0.0001417200000000, 0.0003638600000000, -0.0008219500000000 ] - [ -0.0004486600000000, 0.0006606700000000, -0.0019207600000000 ] - [ 0.0010900700000000, 0.0001807200000000, 0.0054255600000000 ] - [ 0.0001176300000000, -0.0002524500000000, 0.0009599700000000 ] - [ 0.0018414800000000, -0.0010411100000000, -0.0031954000000000 ] - [ -0.0340128000000000, -0.0501221300000000, 0.1088991100000000 ] - [ -0.0006848600000000, 0.0010152300000000, 0.0028177000000000 ] - [ 0.0002810400000000, 0.0005994900000000, -0.0022190400000000 ] - [ 0.1051184900000000, 0.0340751700000000, 0.0856389500000000 ] - [ -0.0004903300000000, 0.0002898500000000, -0.0007183800000000 ] - [ -0.0000795700000000, 0.0001254600000000, -0.0007008700000000 ] - [ -0.0019901600000000, -0.0025501700000000, -0.0015212100000000 ] - [ 0.0015932300000000, -0.0041263400000000, 0.0031012600000000 ] - [ -0.0042711000000000, 0.0000329400000000, 0.0016351600000000 ] - [ -0.0004342500000000, -0.0001458100000000, -0.0023345400000000 ] - [ -0.0001739900000000, 0.0003111600000000, 0.0009796100000000 ] - [ -0.0014189800000000, 0.0012598900000000, -0.0013629900000000 ] - [ -0.0002221200000000, -0.0013324000000000, -0.0024950100000000 ] - [ 0.0004985800000000, -0.0013194700000000, -0.0000996600000000 ] - [ 0.0012923400000000, 0.0014246700000000, 0.0000531900000000 ] - [ 0.0006528200000000, 0.0002040000000000, -0.0019374200000000 ] - [ 0.0003465400000000, 0.0005760800000000, -0.0031982500000000 ] - [ -0.0008756700000000, 0.0008765600000000, -0.0014913300000000 ] - [ 0.0008990900000000, -0.0011560600000000, 0.0024574300000000 ] - [ -0.0003811500000000, -0.0004475500000000, -0.0007642700000000 ] - [ 0.0008112000000000, -0.0003919300000000, -0.0010096500000000 ] - [ 0.0000139700000000, 0.0001428300000000, -0.0003608500000000 ] - [ -0.0003683100000000, -0.0005688800000000, 0.0006142200000000 ] - [ -0.0000656900000000, 0.0003077600000000, -0.0016657500000000 ] - [ -0.0002763600000000, 0.0020299900000000, 0.0024337000000000 ] - [ -0.0028710800000000, -0.0014872300000000, 0.0017545200000000 ] - [ -0.0007562200000000, -0.0008887800000000, -0.0003587400000000 ] - [ 0.0008699900000000, 0.0013532200000000, 0.0010786500000000 ] - [ -0.0126367800000000, 0.0122879300000000, -0.0049473100000000 ] - [ 0.0000228300000000, 0.0003795900000000, 0.0000209800000000 ] - [ -0.0001702100000000, 0.0006390300000000, -0.0003810500000000 ] - [ 0.0001182400000000, -0.0002390800000000, 0.0010083100000000 ] - [ -0.0010898700000000, -0.0028381900000000, -0.0015586800000000 ] - [ 0.0001683100000000, 0.0004169900000000, 0.0011769400000000 ] - [ 0.0026300900000000, 0.0008552500000000, -0.0022744300000000 ] - [ -0.0018754200000000, -0.0030938300000000, -0.0035216900000000 ] - [ 0.0001138500000000, -0.0008071600000000, -0.0019795600000000 ] - [ 0.0005393100000000, -0.0031456100000000, 0.0038571300000000 ] - [ 0.0076756400000000, 0.0181402900000000, 0.0102513300000000 ] - [ -0.0003320700000000, 0.0010147700000000, -0.0004210200000000 ] - [ -0.0002059000000000, -0.0001298600000000, 0.0000965200000000 ] - [ 0.0005227300000000, 0.0013532300000000, 0.0020515900000000 ] - [ 0.0006028900000000, 0.0003816700000000, -0.0010502500000000 ] - [ 0.0003962800000000, -0.0001792800000000, 0.0005456400000000 ] - [ 0.0005653500000000, -0.0019386700000000, -0.0017407600000000 ] - [ 0.0000417600000000, -0.0002886600000000, -0.0015013400000000 ] - [ 0.0019174800000000, 0.0019983000000000, 0.0001082700000000 ] - [ 0.0013308500000000, -0.0003633500000000, 0.0022250000000000 ] - [ 0.0000096400000000, 0.0016316900000000, 0.0011133100000000 ] - [ 0.0008745800000000, 0.0013932800000000, -0.0052854100000000 ] - [ 0.0149562100000000, -0.0087557500000000, 0.0516692100000000 ] - [ 0.0013864200000000, -0.0009141300000000, 0.0036274400000000 ] - [ 0.0001409900000000, -0.0005881400000000, -0.0009786500000000 ] - [ -0.0004685600000000, 0.0038708000000000, -0.0019535200000000 ] - [ -0.0119909100000000, -0.0141888400000000, -0.0031398900000000 ] - [ 0.0005620600000000, 0.0008664500000000, -0.0012856000000000 ] - [ 0.0002023800000000, 0.0004821800000000, -0.0014979700000000 ] - [ -0.0004390200000000, -0.0000171700000000, -0.0007235400000000 ] - [ -0.0004358800000000, 0.0021375500000000, 0.0034480000000000 ] - [ -0.0001047400000000, 0.0002761000000000, -0.0016276400000000 ] - [ 0.0012402300000000, 0.0001148700000000, -0.0031387100000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0072316100000000, -0.0007697300000000, -0.0020781000000000 ] - [ -0.0038799800000000, 0.0005658100000000, -0.0044454700000000 ] - [ 0.0001156600000000, 0.0003982600000000, 0.0003560100000000 ] - [ 0.0001076800000000, 0.0003336700000000, -0.0003982800000000 ] - [ -0.0000726700000000, 0.0004146400000000, -0.0034271400000000 ] - [ -0.0050430900000000, 0.0046161600000000, 0.0059277400000000 ] - [ 0.0012374400000000, -0.0013227100000000, -0.0030694000000000 ] - [ 0.0049251900000000, -0.0011933300000000, -0.0029666600000000 ] - [ -0.0096382400000000, -0.0097068200000000, 0.0050433100000000 ] - [ -0.0320207400000000, -0.0137214100000000, -0.0504212500000000 ] - [ -0.0002873100000000, -0.0020083300000000, -0.0053028800000000 ] - [ -0.0019244600000000, 0.0026864800000000, 0.0056082800000000 ] - [ 0.0006063000000000, 0.0011721900000000, -0.0042412800000000 ] - [ 0.0008873100000000, 0.0002028600000000, -0.0011569900000000 ] - [ 0.0058927300000000, 0.0038776600000000, 0.0043399900000000 ] - [ 0.0000773100000000, 0.0004234500000000, 0.0006198700000000 ] - [ -0.0005548300000000, 0.0018142800000000, -0.0028729400000000 ] - [ 0.0000328400000000, -0.0025956600000000, 0.0012066900000000 ] - [ 0.0019836800000000, 0.0042209100000000, -0.0002625700000000 ] - [ -0.0134301800000000, 0.0660364800000000, 0.0043561400000000 ] - [ -0.0001395400000000, -0.0002040000000000, -0.0049962900000000 ] - [ 0.0942026300000000, 0.0833914600000000, 0.5438935800000000 ] - [ -0.0004722500000000, 0.0026955700000000, -0.0089727800000000 ] - [ 0.0000860700000000, -0.0008222800000000, -0.0051053600000000 ] - [ -0.0023654300000000, 0.0004411400000000, 0.0037717200000000 ] - [ -0.0014741500000000, -0.0033690900000000, -0.0029399000000000 ] - [ 0.0003460700000000, -0.0006842000000000, 0.0065948500000000 ] - [ -0.0005704100000000, -0.0049428200000000, -0.0153590900000000 ] - [ 0.0027302400000000, -0.0051810200000000, -0.0049390900000000 ] - [ -0.0106280200000000, 0.0140824200000000, 0.0014942000000000 ] - [ -0.0083675100000000, -0.0127818600000000, 0.0027248300000000 ] - [ -0.0011619900000000, -0.0005101300000000, 0.0010374900000000 ] - [ 0.0004493500000000, -0.0008415300000000, -0.0017947500000000 ] - [ 0.0000991000000000, 0.0008497000000000, 0.0019233900000000 ] - [ -0.0002862000000000, 0.0004986300000000, -0.0019473400000000 ] - [ 0.0002029200000000, 0.0001006500000000, -0.0020798000000000 ] - [ -0.0003125600000000, 0.0031356600000000, 0.0012144600000000 ] - [ 0.0093037900000000, 0.0062144500000000, -0.0069218900000000 ] - [ 0.0042171400000000, 0.0020527100000000, 0.0074308100000000 ] - [ -0.0002667300000000, 0.0006467800000000, -0.0013916200000000 ] - [ -0.0011057900000000, 0.0045109000000000, 0.0161696500000000 ] - [ -0.0047216000000000, -0.0095014300000000, 0.0089135500000000 ] - [ 0.0008111800000000, 0.0002092400000000, 0.0048939700000000 ] - [ 0.0023024300000000, 0.0008700900000000, -0.0037756100000000 ] - [ -0.0001059100000000, -0.0021606600000000, -0.0009956900000000 ] - [ 0.0027813800000000, -0.0009851500000000, 0.0025617500000000 ] - [ 0.0006466900000000, 0.0002792900000000, -0.0023760300000000 ] - [ 0.0000465200000000, 0.0006258900000000, -0.0001442600000000 ] - [ 0.0000375300000000, 0.0006299000000000, -0.0014441800000000 ] - [ 0.0003174300000000, -0.0026896400000000, 0.0057577600000000 ] - [ 0.0154912800000000, -0.0148049400000000, -0.0065384200000000 ] - [ -0.0007041000000000, -0.0013079000000000, 0.0006347100000000 ] - [ 0.0142114100000000, -0.1214349400000000, -0.2541715500000000 ] - [ -0.0005141000000000, 0.0009755500000000, 0.0007816900000000 ] - [ -0.0000814900000000, -0.0005476500000000, 0.0004956300000000 ] - [ -0.0000790200000000, 0.0002096900000000, 0.0018100300000000 ] - [ -0.0005612000000000, -0.0010484300000000, -0.0055764100000000 ] - [ 0.0009152600000000, 0.0005115700000000, -0.0008302800000000 ] - [ -0.0021910100000000, 0.0021368500000000, 0.0039359600000000 ] - [ 0.0320533100000000, 0.0456921400000000, -0.1060154100000000 ] - [ 0.0009171400000000, -0.0008248000000000, -0.0020918800000000 ] - [ 0.0006401000000000, 0.0001157500000000, 0.0021007600000000 ] - [ -0.1046399600000000, -0.0350127600000000, -0.0874767400000000 ] - [ -0.0004659200000000, -0.0006271600000000, 0.0004264200000000 ] - [ 0.0000194700000000, -0.0003116300000000, 0.0010249000000000 ] - [ 0.0014505100000000, 0.0016669100000000, 0.0016419700000000 ] - [ -0.0026191200000000, 0.0044238400000000, -0.0032267500000000 ] - [ 0.0046563900000000, -0.0011265200000000, -0.0008867600000000 ] - [ -0.0001090500000000, 0.0001751400000000, 0.0019319500000000 ] - [ 0.0002365100000000, -0.0001337500000000, -0.0006540300000000 ] - [ 0.0008770500000000, -0.0012925700000000, 0.0017720800000000 ] - [ 0.0004575100000000, 0.0011388400000000, 0.0017687100000000 ] - [ 0.0000300400000000, 0.0021863600000000, 0.0002059400000000 ] - [ -0.0003347000000000, -0.0010893700000000, -0.0003494800000000 ] - [ -0.0003044100000000, 0.0008891000000000, 0.0011911500000000 ] - [ -0.0003454000000000, -0.0004541300000000, 0.0030546100000000 ] - [ -0.0000531800000000, -0.0001585400000000, 0.0016017100000000 ] - [ -0.0003548700000000, 0.0011179800000000, -0.0028658900000000 ] - [ -0.0006457300000000, 0.0001930200000000, 0.0008866100000000 ] - [ 0.0002164300000000, 0.0001370500000000, 0.0008836500000000 ] - [ -0.0000155900000000, -0.0000294100000000, 0.0004992800000000 ] - [ 0.0015539900000000, 0.0010080600000000, -0.0003063300000000 ] - [ 0.0012574200000000, -0.0007523500000000, 0.0013655600000000 ] - [ -0.0009110000000000, -0.0015911200000000, -0.0027548000000000 ] - [ 0.0027890900000000, 0.0016707500000000, -0.0020601400000000 ] - [ -0.0004366200000000, 0.0004418400000000, 0.0006543000000000 ] - [ -0.0018024400000000, -0.0020362000000000, -0.0011975400000000 ] - [ 0.0136527700000000, -0.0126659000000000, 0.0052433900000000 ] - [ -0.0000196200000000, -0.0004975700000000, 0.0001274600000000 ] - [ -0.0000632000000000, -0.0008419200000000, 0.0011093100000000 ] - [ 0.0008112200000000, -0.0004780200000000, -0.0008915300000000 ] - [ 0.0016317800000000, 0.0028686300000000, 0.0019549200000000 ] - [ -0.0001714000000000, -0.0005353300000000, -0.0013205600000000 ] - [ -0.0035934700000000, -0.0005026700000000, 0.0025717000000000 ] - [ 0.0019407800000000, 0.0029221300000000, 0.0031952700000000 ] - [ -0.0006342300000000, 0.0016614900000000, 0.0018610200000000 ] - [ -0.0000119900000000, 0.0022786100000000, -0.0039707800000000 ] - [ -0.0066521900000000, -0.0178922400000000, -0.0101628700000000 ] - [ -0.0000109600000000, 0.0000693100000000, 0.0011639300000000 ] - [ -0.0000274000000000, 0.0003259200000000, -0.0008213600000000 ] - [ -0.0002887700000000, -0.0011383800000000, -0.0013260300000000 ] - [ 0.0003247200000000, 0.0003352400000000, 0.0009389100000000 ] - [ -0.0007444400000000, -0.0009121100000000, -0.0012892900000000 ] - [ -0.0015032400000000, 0.0016055900000000, 0.0014457000000000 ] - [ -0.0001050000000000, 0.0001139200000000, 0.0018258000000000 ] - [ -0.0024497600000000, -0.0028647200000000, 0.0000054100000000 ] - [ -0.0023569900000000, 0.0006143900000000, -0.0023483200000000 ] - [ 0.0003351300000000, -0.0027164900000000, -0.0003676200000000 ] - [ -0.0014233700000000, -0.0013598300000000, 0.0048923000000000 ] - [ -0.0131617900000000, 0.0072221700000000, -0.0510787800000000 ] - [ -0.0019048400000000, 0.0008699000000000, -0.0031926800000000 ] - [ 0.0000921800000000, 0.0003826100000000, 0.0002476100000000 ] - [ 0.0010011800000000, -0.0030161800000000, 0.0020640000000000 ] - [ 0.0129410800000000, 0.0145406300000000, 0.0028395600000000 ] - [ -0.0002180800000000, 0.0002162600000000, 0.0005402900000000 ] - [ -0.0002003500000000, -0.0003689400000000, 0.0013577800000000 ] - [ -0.0004902800000000, 0.0007345000000000, 0.0008337600000000 ] - [ 0.0009768900000000, -0.0021792200000000, -0.0038827400000000 ] - [ -0.0009185200000000, -0.0005305900000000, 0.0017501100000000 ] - [ -0.0002105100000000, -0.0003730000000000, 0.0030057500000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010200900000000, -0.0005324400000000, -0.0006443900000000 ] - [ -0.0002893200000000, -0.0005064700000000, 0.0009585500000000 ] - [ 0.0001799600000000, -0.0000428500000000, -0.0000071400000000 ] - [ -0.0001026800000000, -0.0000416100000000, 0.0000174600000000 ] - [ -0.0008590800000000, -0.0017308700000000, 0.0003426000000000 ] - [ -0.0001424100000000, 0.0004647300000000, -0.0002861900000000 ] - [ -0.0066383100000000, 0.0072507600000000, -0.0004675500000000 ] - [ 0.0000551900000000, 0.0001397300000000, 0.0001153800000000 ] - [ 0.0001088400000000, -0.0003108100000000, -0.0004330700000000 ] - [ 0.0676658200000000, -0.0037221500000000, -0.0627829600000000 ] - [ -0.0046399500000000, -0.0043902700000000, -0.0018824700000000 ] - [ 0.0002965500000000, 0.0007030500000000, 0.0013526200000000 ] - [ 0.0000094900000000, 0.0007443500000000, -0.0011147900000000 ] - [ 0.0009625800000000, 0.0003056700000000, 0.0001640700000000 ] - [ 0.0001456900000000, -0.0005997500000000, 0.0011194100000000 ] - [ -0.0014026800000000, 0.0003126200000000, -0.0001292900000000 ] - [ -0.0003810000000000, 0.0021616900000000, 0.0011698300000000 ] - [ 0.0008763400000000, 0.0038856100000000, -0.0019145800000000 ] - [ 0.0000709700000000, -0.0016995900000000, -0.0011700700000000 ] - [ 0.0007514400000000, -0.0000290700000000, 0.0002760200000000 ] - [ -0.0027458100000000, -0.0001368300000000, -0.0018324200000000 ] - [ 0.0009022800000000, 0.0003754200000000, 0.0011740900000000 ] - [ 0.0051886500000000, 0.0006084000000000, 0.0015194600000000 ] - [ -0.0045540700000000, -0.0009166600000000, 0.0001260500000000 ] - [ -0.0012927700000000, 0.0004061100000000, 0.0002543500000000 ] - [ 0.0000856300000000, -0.0006739800000000, 0.0006301200000000 ] - [ -0.0018391600000000, 0.0005160300000000, 0.0018123000000000 ] - [ 0.0613592800000000, 0.0111293900000000, 0.0142700400000000 ] - [ 0.0004478400000000, 0.0002861300000000, -0.0002361400000000 ] - [ -0.0060833600000000, 0.0073288200000000, -0.0010366500000000 ] - [ -0.0063117700000000, -0.0074134400000000, -0.0001250600000000 ] - [ -0.0009397000000000, -0.0000802000000000, 0.0000308700000000 ] - [ 0.0043117900000000, 0.0007446600000000, -0.0004514600000000 ] - [ -0.0007575500000000, 0.0002880200000000, 0.0000951300000000 ] - [ -0.0018973600000000, 0.0006592600000000, -0.0000110400000000 ] - [ 0.0009247300000000, -0.0002306000000000, 0.0000605700000000 ] - [ 0.0007134900000000, 0.0003240200000000, 0.0001159100000000 ] - [ 0.0006811500000000, 0.0002998100000000, -0.0009808500000000 ] - [ 0.0011450200000000, -0.0000397800000000, -0.0000190700000000 ] - [ -0.0007686700000000, -0.0001156700000000, -0.0002486500000000 ] - [ -0.1329484600000000, -0.0080156400000000, 0.0631410300000000 ] - [ 0.0001169800000000, 0.0000435400000000, 0.0001190100000000 ] - [ 0.0001260000000000, -0.0004742700000000, -0.0001322900000000 ] - [ 0.0020836700000000, 0.0002529500000000, -0.0014886200000000 ] - [ -0.0003602600000000, -0.0001210500000000, -0.0001230600000000 ] - [ 0.0017271200000000, -0.0002082600000000, 0.0016228900000000 ] - [ 0.0006196000000000, -0.0004849000000000, -0.0001075100000000 ] - [ 0.0009043600000000, -0.0014315900000000, 0.0005129700000000 ] - [ 0.0003292300000000, -0.0000416900000000, -0.0001512100000000 ] - [ -0.0093102800000000, -0.0006008300000000, 0.0052398700000000 ] - [ -0.0001116900000000, -0.0002753200000000, 0.0000750700000000 ] - [ 0.0003776600000000, 0.0009167700000000, 0.0005804400000000 ] - [ -0.0027766800000000, -0.0001816100000000, -0.0002184400000000 ] - [ -0.0004858600000000, 0.0001609500000000, 0.0000649000000000 ] - [ 0.0003756800000000, 0.0001112500000000, -0.0001523000000000 ] - [ 0.0011227800000000, -0.0014137700000000, -0.0021334400000000 ] - [ 0.0001673100000000, 0.0002009900000000, 0.0004275300000000 ] - [ 0.0007561700000000, 0.0002347200000000, 0.0000686500000000 ] - [ 0.0062672200000000, -0.0193868700000000, -0.0252089600000000 ] - [ -0.0003384800000000, 0.0001846900000000, -0.0004962800000000 ] - [ 0.0007041700000000, -0.0002233400000000, 0.0000043100000000 ] - [ -0.0011627400000000, 0.0017482300000000, -0.0018358300000000 ] - [ -0.0008900300000000, -0.0007622200000000, -0.0005962100000000 ] - [ -0.0007001800000000, -0.0008858100000000, -0.0004160500000000 ] - [ -0.0003465600000000, 0.0002758600000000, 0.0001139200000000 ] - [ -0.0002340800000000, -0.0003182900000000, -0.0001121100000000 ] - [ -0.0007737400000000, 0.0002194600000000, -0.0000049700000000 ] - [ 0.0007665000000000, -0.0005633300000000, 0.0006891300000000 ] - [ -0.0000768200000000, 0.0002369700000000, -0.0004802200000000 ] - [ 0.0004287600000000, -0.0001396600000000, 0.0001484200000000 ] - [ -0.0001740700000000, -0.0001664800000000, -0.0006311800000000 ] - [ 0.0014553600000000, 0.0003457000000000, 0.0002435100000000 ] - [ 0.0008533700000000, -0.0024466300000000, 0.0015761600000000 ] - [ 0.0007232700000000, 0.0005114500000000, 0.0000201500000000 ] - [ 0.0035029700000000, 0.0010786900000000, -0.0008941400000000 ] - [ 0.0008679900000000, 0.0001779600000000, -0.0001892800000000 ] - [ 0.0012557600000000, 0.0006437500000000, 0.0002029300000000 ] - [ 0.0001556600000000, -0.0004738500000000, 0.0008295400000000 ] - [ -0.0022584500000000, -0.0024087300000000, 0.0006128100000000 ] - [ 0.0014380200000000, -0.0008089300000000, -0.0002294600000000 ] - [ 0.0003262100000000, 0.0000038900000000, 0.0001180100000000 ] - [ 0.0008477900000000, 0.0003177200000000, -0.0000657800000000 ] - [ 0.0014398000000000, -0.0008070900000000, -0.0000104800000000 ] - [ -0.0011659000000000, 0.0004362400000000, 0.0002082600000000 ] - [ 0.0004218000000000, 0.0003066400000000, -0.0004533600000000 ] - [ -0.0018353900000000, -0.0008844300000000, 0.0000033200000000 ] - [ -0.0009751800000000, -0.0005659500000000, -0.0001069900000000 ] - [ 0.0087762500000000, -0.0107692600000000, -0.0040919200000000 ] - [ -0.0002207200000000, -0.0000581800000000, -0.0000899900000000 ] - [ 0.0001611000000000, -0.0004062400000000, 0.0004835900000000 ] - [ 0.0007860500000000, -0.0005129000000000, -0.0002074600000000 ] - [ 0.0014514000000000, 0.0014262500000000, 0.0008035900000000 ] - [ 0.0003378000000000, -0.0000779800000000, 0.0000043600000000 ] - [ -0.0003053300000000, -0.0001317600000000, 0.0003016500000000 ] - [ 0.0007806600000000, 0.0214246800000000, 0.0166112000000000 ] - [ -0.0002665200000000, 0.0004089800000000, 0.0000314700000000 ] - [ 0.0006955700000000, 0.0014734800000000, -0.0012297500000000 ] - [ -0.0000383200000000, 0.0000289200000000, -0.0003997400000000 ] - [ 0.0002399700000000, 0.0002927900000000, 0.0005055600000000 ] - [ 0.0000488200000000, 0.0001156800000000, -0.0004242900000000 ] - [ -0.0000725000000000, 0.0000630100000000, 0.0004060100000000 ] - [ 0.0013461900000000, 0.0006378500000000, 0.0002375500000000 ] - [ 0.0002413200000000, -0.0003002400000000, -0.0005079300000000 ] - [ -0.0004897900000000, -0.0001664100000000, -0.0001664100000000 ] - [ 0.0021539100000000, -0.0007485900000000, 0.0005112500000000 ] - [ -0.0002387500000000, -0.0003670200000000, 0.0004952400000000 ] - [ -0.0000228900000000, 0.0000050000000000, -0.0004330300000000 ] - [ -0.0002672200000000, -0.0003215700000000, 0.0001913100000000 ] - [ -0.0000204400000000, 0.0004386700000000, 0.0019923200000000 ] - [ -0.0005321700000000, 0.0003262300000000, -0.0002843700000000 ] - [ -0.0003049900000000, -0.0000162900000000, 0.0000684100000000 ] - [ -0.0004952800000000, -0.0005237800000000, -0.0003631800000000 ] - [ 0.0007172400000000, -0.0010631300000000, 0.0011409300000000 ] - [ 0.0080834300000000, 0.0088125600000000, -0.0049812400000000 ] - [ -0.0003347200000000, 0.0002813000000000, -0.0001970700000000 ] - [ -0.0002619600000000, 0.0000037200000000, -0.0000534000000000 ] - [ -0.0021405400000000, 0.0020170500000000, -0.0002303100000000 ] - [ 0.0012240800000000, -0.0018488800000000, -0.0017546300000000 ] - [ 0.0002297400000000, -0.0000447500000000, 0.0003752800000000 ] - [ -0.0007549700000000, -0.0004382800000000, 0.0010393800000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007081800000000, 0.0005401300000000, 0.0007330800000000 ] - [ 0.0001410800000000, 0.0005092100000000, -0.0009681500000000 ] - [ -0.0000273500000000, 0.0000402800000000, 0.0000089900000000 ] - [ -0.0000527200000000, 0.0000402200000000, -0.0000194500000000 ] - [ 0.0008728900000000, 0.0008980000000000, -0.0003283300000000 ] - [ 0.0001451600000000, 0.0003763900000000, 0.0002794100000000 ] - [ 0.0066841300000000, -0.0069000800000000, 0.0004855500000000 ] - [ 0.0011056700000000, -0.0001376800000000, -0.0001249800000000 ] - [ -0.0001101600000000, -0.0000845700000000, 0.0004234500000000 ] - [ -0.0703089300000000, 0.0040546600000000, 0.0658687200000000 ] - [ 0.0045763500000000, 0.0034920700000000, 0.0018882600000000 ] - [ -0.0002997600000000, 0.0001301100000000, -0.0013746300000000 ] - [ -0.0000252700000000, -0.0003503000000000, 0.0011343000000000 ] - [ 0.0002089400000000, -0.0003082400000000, -0.0001687100000000 ] - [ -0.0001496000000000, 0.0002113200000000, -0.0011347700000000 ] - [ 0.0002314600000000, -0.0003170000000000, 0.0001314500000000 ] - [ 0.0010607300000000, -0.0013174300000000, -0.0016709700000000 ] - [ -0.0015443300000000, -0.0030272100000000, 0.0024117800000000 ] - [ -0.0007479400000000, 0.0008341900000000, 0.0006884600000000 ] - [ -0.0015109200000000, -0.0001157300000000, -0.0007638100000000 ] - [ 0.0035101100000000, 0.0002919900000000, 0.0013947400000000 ] - [ -0.0009085000000000, 0.0002075700000000, -0.0010398700000000 ] - [ -0.0059171000000000, -0.0003052700000000, -0.0010400400000000 ] - [ 0.0045590000000000, 0.0003610000000000, 0.0000560300000000 ] - [ 0.0012973700000000, 0.0001769700000000, -0.0004370100000000 ] - [ 0.0005932000000000, -0.0001803800000000, -0.0001488800000000 ] - [ 0.0025993400000000, -0.0006628600000000, -0.0013636300000000 ] - [ -0.0609959500000000, -0.0108515100000000, -0.0131093700000000 ] - [ 0.0002041800000000, 0.0005857400000000, -0.0002676600000000 ] - [ 0.0054546400000000, -0.0065396300000000, 0.0015340500000000 ] - [ 0.0056720900000000, 0.0066212000000000, -0.0003313900000000 ] - [ 0.0001820800000000, -0.0000738200000000, -0.0005034500000000 ] - [ -0.0035462400000000, -0.0006110600000000, 0.0000012700000000 ] - [ 0.0007535800000000, 0.0002947200000000, 0.0000645400000000 ] - [ 0.0011372800000000, -0.0005146300000000, 0.0004775700000000 ] - [ -0.0009222100000000, -0.0003561200000000, 0.0001031000000000 ] - [ -0.0007092600000000, 0.0002569100000000, -0.0002859400000000 ] - [ -0.0000092800000000, -0.0011548200000000, 0.0014363800000000 ] - [ -0.0003892400000000, -0.0001184200000000, 0.0004791900000000 ] - [ 0.0007650600000000, -0.0004727900000000, 0.0000920200000000 ] - [ 0.1338584400000000, 0.0072794000000000, -0.0674647600000000 ] - [ 0.0010703800000000, 0.0003996300000000, 0.0001960100000000 ] - [ 0.0010777400000000, 0.0000000900000000, -0.0001515800000000 ] - [ -0.0032889400000000, 0.0001868400000000, 0.0011914500000000 ] - [ 0.0002988600000000, 0.0003012100000000, -0.0002002900000000 ] - [ -0.0029368200000000, -0.0002341000000000, -0.0013393100000000 ] - [ -0.0015514400000000, -0.0002372800000000, 0.0000012000000000 ] - [ 0.0000496600000000, 0.0010972300000000, -0.0002214800000000 ] - [ -0.0003247500000000, -0.0000776000000000, 0.0003035300000000 ] - [ 0.0091090200000000, 0.0003433100000000, -0.0044044000000000 ] - [ 0.0010392200000000, -0.0004438300000000, 0.0000409400000000 ] - [ 0.0001642100000000, -0.0008809500000000, -0.0001825500000000 ] - [ 0.0027979500000000, 0.0000526800000000, 0.0001050000000000 ] - [ -0.0004725700000000, 0.0001764800000000, 0.0002299400000000 ] - [ -0.0003145500000000, -0.0002888900000000, -0.0001754600000000 ] - [ -0.0016579500000000, 0.0022898500000000, 0.0020322500000000 ] - [ 0.0003587200000000, -0.0010592500000000, -0.0005409100000000 ] - [ 0.0002721000000000, 0.0000220200000000, 0.0000604800000000 ] - [ -0.0065562500000000, 0.0203151400000000, 0.0257061600000000 ] - [ 0.0001023800000000, 0.0000058300000000, -0.0002172400000000 ] - [ -0.0004717700000000, 0.0004233800000000, 0.0007307800000000 ] - [ 0.0020682600000000, -0.0010500700000000, 0.0017102200000000 ] - [ 0.0005457000000000, -0.0003241800000000, -0.0001403000000000 ] - [ -0.0002564100000000, 0.0005532800000000, 0.0001250200000000 ] - [ 0.0002838100000000, -0.0004572600000000, 0.0002092400000000 ] - [ -0.0002939600000000, -0.0005460800000000, 0.0002297700000000 ] - [ -0.0002537200000000, 0.0000368300000000, -0.0001180800000000 ] - [ -0.0004175500000000, -0.0005243000000000, 0.0000619300000000 ] - [ -0.0004686800000000, -0.0002056100000000, 0.0000771900000000 ] - [ -0.0003685000000000, 0.0003192200000000, 0.0001777000000000 ] - [ -0.0003690500000000, 0.0001330300000000, 0.0010443500000000 ] - [ -0.0012263500000000, -0.0005581800000000, -0.0009850500000000 ] - [ -0.0003294400000000, 0.0033075900000000, -0.0014772100000000 ] - [ 0.0002347600000000, -0.0001708700000000, -0.0003151000000000 ] - [ -0.0031674900000000, 0.0000030700000000, 0.0001424600000000 ] - [ -0.0008643200000000, -0.0000657700000000, 0.0000441100000000 ] - [ -0.0021909500000000, 0.0000760900000000, -0.0001003100000000 ] - [ 0.0003851300000000, 0.0004372500000000, -0.0012393100000000 ] - [ 0.0012303600000000, 0.0021650300000000, -0.0004937900000000 ] - [ -0.0004128900000000, 0.0005564700000000, 0.0001022900000000 ] - [ -0.0003299700000000, 0.0001127500000000, 0.0000204800000000 ] - [ 0.0003419500000000, 0.0001263500000000, 0.0003708900000000 ] - [ -0.0002501600000000, 0.0003654200000000, -0.0002904600000000 ] - [ -0.0000257900000000, 0.0000115100000000, -0.0005078100000000 ] - [ -0.0004841500000000, -0.0001279100000000, 0.0001344300000000 ] - [ 0.0006378400000000, 0.0004395600000000, 0.0002885000000000 ] - [ 0.0000479500000000, -0.0001495900000000, -0.0000019800000000 ] - [ -0.0079360600000000, 0.0105741800000000, 0.0044619900000000 ] - [ 0.0002243000000000, -0.0000584300000000, 0.0002356200000000 ] - [ -0.0003952100000000, 0.0002127500000000, 0.0002412800000000 ] - [ 0.0001408600000000, -0.0002036800000000, 0.0003227500000000 ] - [ -0.0009062400000000, -0.0014019900000000, -0.0004263200000000 ] - [ -0.0003420800000000, -0.0000367300000000, -0.0001450700000000 ] - [ -0.0006476800000000, 0.0004669500000000, -0.0000015500000000 ] - [ -0.0006193000000000, -0.0217581500000000, -0.0170176600000000 ] - [ -0.0002544300000000, 0.0004492300000000, -0.0001460900000000 ] - [ -0.0001716500000000, -0.0023566300000000, 0.0011204000000000 ] - [ 0.0010684300000000, 0.0002251000000000, 0.0005334100000000 ] - [ -0.0005887100000000, 0.0007982000000000, 0.0002355100000000 ] - [ -0.0002831400000000, 0.0000831400000000, -0.0003017800000000 ] - [ 0.0003063900000000, 0.0001403600000000, 0.0003238600000000 ] - [ -0.0004141400000000, 0.0000836100000000, -0.0003498400000000 ] - [ -0.0005895200000000, -0.0007893500000000, -0.0002340100000000 ] - [ -0.0004608400000000, -0.0001736200000000, -0.0001224200000000 ] - [ -0.0021966800000000, 0.0005608700000000, -0.0001871300000000 ] - [ -0.0002862100000000, -0.0004928000000000, -0.0003685200000000 ] - [ -0.0010030600000000, 0.0002474200000000, 0.0003132400000000 ] - [ 0.0006160600000000, -0.0007674600000000, 0.0005557900000000 ] - [ -0.0005165700000000, -0.0003980500000000, -0.0023711900000000 ] - [ 0.0005952300000000, -0.0001453800000000, 0.0006186200000000 ] - [ -0.0002345800000000, -0.0000209400000000, 0.0003497200000000 ] - [ 0.0007277500000000, 0.0003313900000000, -0.0003656000000000 ] - [ -0.0001918800000000, 0.0019447600000000, -0.0010443100000000 ] - [ -0.0072154800000000, -0.0085908600000000, 0.0047672700000000 ] - [ 0.0006856200000000, 0.0008074700000000, -0.0005509200000000 ] - [ 0.0002648400000000, 0.0001140200000000, -0.0000879200000000 ] - [ 0.0012076900000000, -0.0012862600000000, 0.0003362800000000 ] - [ -0.0006917200000000, 0.0018350600000000, 0.0013672400000000 ] - [ -0.0012539600000000, -0.0002090600000000, -0.0002595100000000 ] - [ 0.0018005300000000, 0.0001569700000000, -0.0011833900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010065700000000, 0.0018823200000000, 0.0001041900000000 ] - [ -0.0000802700000000, 0.0010888000000000, -0.0007288400000000 ] - [ -0.0000051000000000, -0.0010020600000000, 0.0001465200000000 ] - [ -0.0000876500000000, -0.0006595400000000, -0.0001075000000000 ] - [ -0.0015602800000000, -0.0023303700000000, 0.0010010800000000 ] - [ -0.0000072900000000, 0.0005698700000000, 0.0002264900000000 ] - [ 0.0058060300000000, -0.0044905400000000, 0.0006055500000000 ] - [ 0.0008094000000000, 0.0018158400000000, -0.0006315700000000 ] - [ -0.0006398400000000, -0.0004696200000000, -0.0008267100000000 ] - [ -0.0025360500000000, 0.0149261200000000, 0.0029823500000000 ] - [ -0.0085176700000000, -0.0085479900000000, -0.0014168500000000 ] - [ 0.0003015300000000, -0.0002144300000000, -0.0015143400000000 ] - [ 0.0015533100000000, -0.0024751800000000, 0.0011471800000000 ] - [ 0.0004709100000000, -0.0013297600000000, -0.0002466600000000 ] - [ 0.0000915200000000, -0.0004570200000000, 0.0000930300000000 ] - [ -0.0005283500000000, -0.0019176000000000, 0.0002177200000000 ] - [ 0.0005836300000000, -0.0011099700000000, -0.0019374900000000 ] - [ 0.0008609400000000, -0.0016948900000000, 0.0027241100000000 ] - [ -0.0013630600000000, -0.0030865700000000, -0.0020264800000000 ] - [ -0.0003029200000000, 0.0027581000000000, -0.0015776000000000 ] - [ 0.0008431400000000, 0.0028005000000000, 0.0016808800000000 ] - [ -0.0001201800000000, -0.0004702000000000, -0.0043437700000000 ] - [ -0.0007012900000000, 0.0006549200000000, 0.0088886800000000 ] - [ -0.0000673300000000, 0.0044468400000000, 0.0007739100000000 ] - [ 0.0001052500000000, 0.0018527300000000, -0.0005964500000000 ] - [ 0.0004651300000000, -0.0011827200000000, 0.0006431800000000 ] - [ -0.0000192300000000, 0.0016532700000000, 0.0012168400000000 ] - [ 0.0074979500000000, 0.1229948700000000, 0.1143764200000000 ] - [ 0.0015817800000000, 0.0006764300000000, 0.0005653200000000 ] - [ 0.0050388900000000, -0.0067212000000000, 0.0007296100000000 ] - [ -0.0022038000000000, -0.0014668000000000, 0.0025798200000000 ] - [ -0.0000995300000000, -0.0011703500000000, -0.0005278800000000 ] - [ 0.0017873200000000, -0.0046549200000000, 0.0007655800000000 ] - [ -0.0001102800000000, -0.0008610800000000, 0.0001678900000000 ] - [ -0.0007670900000000, -0.0018687100000000, -0.0000970700000000 ] - [ -0.0004820200000000, -0.0036899000000000, -0.0003554500000000 ] - [ 0.0001878800000000, -0.0009929900000000, -0.0005077700000000 ] - [ -0.0000102900000000, 0.0014401700000000, -0.0037699100000000 ] - [ 0.0001581100000000, -0.0018371000000000, -0.0006624300000000 ] - [ 0.0002875300000000, -0.0024086200000000, 0.0003947300000000 ] - [ -0.0075924100000000, -0.1480647700000000, -0.1581382500000000 ] - [ 0.0000342900000000, -0.0005748000000000, 0.0014731700000000 ] - [ 0.0000432900000000, -0.0003961300000000, -0.0016236300000000 ] - [ 0.0006427500000000, -0.0001891500000000, -0.0012687400000000 ] - [ 0.0002175000000000, 0.0005301100000000, -0.0001589400000000 ] - [ -0.0026786300000000, -0.0003311500000000, -0.0015083400000000 ] - [ -0.0004298300000000, -0.0008695400000000, -0.0001235300000000 ] - [ -0.0003399200000000, 0.0013973700000000, -0.0002892000000000 ] - [ 0.0000200600000000, -0.0007006800000000, 0.0006279700000000 ] - [ -0.0013943300000000, -0.0096302900000000, -0.0109882300000000 ] - [ 0.0006948000000000, -0.0010107500000000, 0.0002509500000000 ] - [ 0.0012771000000000, 0.0015725300000000, 0.0006477800000000 ] - [ 0.0001147100000000, -0.0015932500000000, 0.0072609100000000 ] - [ -0.0007459200000000, 0.0008933900000000, 0.0001356800000000 ] - [ 0.0004864500000000, 0.0008078800000000, -0.0003330400000000 ] - [ -0.0013546300000000, 0.0017856700000000, 0.0018002700000000 ] - [ 0.0006001000000000, 0.0000520300000000, 0.0005915100000000 ] - [ 0.0006857200000000, 0.0004720900000000, 0.0003203800000000 ] - [ -0.0080604900000000, 0.0025849400000000, 0.0165464500000000 ] - [ -0.0002871300000000, -0.0019109900000000, 0.0015602200000000 ] - [ 0.0000812200000000, -0.0011428500000000, 0.0001646700000000 ] - [ 0.0013101900000000, 0.0010111000000000, -0.0026748100000000 ] - [ 0.0004441100000000, -0.0003196500000000, 0.0004557400000000 ] - [ -0.0001297400000000, 0.0008631700000000, 0.0002361900000000 ] - [ -0.0004240700000000, 0.0013569500000000, 0.0000099700000000 ] - [ -0.0001590200000000, -0.0003630200000000, 0.0001864600000000 ] - [ -0.0005252600000000, 0.0005492300000000, 0.0001766200000000 ] - [ 0.0005490400000000, -0.0009506300000000, 0.0006572800000000 ] - [ -0.0000465400000000, 0.0003860700000000, -0.0006690200000000 ] - [ -0.0002364100000000, 0.0005316800000000, 0.0001458400000000 ] - [ -0.0002372300000000, 0.0000452300000000, 0.0011237300000000 ] - [ -0.0000914300000000, -0.0029373700000000, -0.0015856100000000 ] - [ -0.0007797800000000, 0.0016781000000000, -0.0014754100000000 ] - [ 0.0012731800000000, 0.0018366400000000, 0.0000757100000000 ] - [ -0.0014047900000000, -0.0007497700000000, -0.0006676100000000 ] - [ -0.0001201400000000, -0.0012203400000000, 0.0004922600000000 ] - [ -0.0001394300000000, -0.0001690400000000, -0.0003522700000000 ] - [ 0.0000226500000000, 0.0000121200000000, -0.0014282600000000 ] - [ -0.0006403800000000, 0.0018043700000000, -0.0002638100000000 ] - [ 0.0000365400000000, 0.0005624000000000, 0.0001612600000000 ] - [ -0.0000558100000000, 0.0007743100000000, 0.0000984800000000 ] - [ 0.0006121700000000, 0.0004708600000000, 0.0001398400000000 ] - [ 0.0003565500000000, 0.0003535600000000, 0.0000676400000000 ] - [ -0.0007120600000000, 0.0009457300000000, 0.0005879100000000 ] - [ -0.0005655000000000, -0.0005260100000000, 0.0001872000000000 ] - [ -0.0011733200000000, 0.0005414000000000, -0.0005252800000000 ] - [ -0.0001861900000000, 0.0002674600000000, 0.0001378000000000 ] - [ -0.0107570800000000, 0.0078051900000000, 0.0048430500000000 ] - [ 0.0000015100000000, 0.0003591000000000, 0.0002150100000000 ] - [ -0.0000900800000000, 0.0014588100000000, -0.0000678500000000 ] - [ 0.0001276900000000, 0.0001004000000000, 0.0003556500000000 ] - [ 0.0015269100000000, 0.0004495500000000, -0.0016953200000000 ] - [ 0.0000193000000000, 0.0004737900000000, 0.0000073500000000 ] - [ 0.0000165300000000, -0.0011395500000000, 0.0008118800000000 ] - [ 0.0207696900000000, 0.0210836100000000, 0.0234730200000000 ] - [ -0.0007091800000000, 0.0008805200000000, -0.0006662300000000 ] - [ 0.0002793500000000, 0.0000549200000000, -0.0010678400000000 ] - [ 0.0001526700000000, -0.0005270000000000, 0.0001083000000000 ] - [ -0.0006949000000000, 0.0014112700000000, 0.0002017300000000 ] - [ -0.0001423900000000, 0.0009544900000000, -0.0005410200000000 ] - [ 0.0001467200000000, 0.0013469800000000, 0.0007855600000000 ] - [ 0.0011774700000000, 0.0011886500000000, 0.0002055400000000 ] - [ 0.0001066100000000, -0.0001148500000000, -0.0003479300000000 ] - [ -0.0012366000000000, -0.0011129500000000, -0.0002629000000000 ] - [ 0.0027122900000000, -0.0017710400000000, 0.0007328800000000 ] - [ -0.0000720500000000, -0.0001825900000000, 0.0015736300000000 ] - [ -0.0002613900000000, -0.0002490700000000, -0.0001567200000000 ] - [ -0.0001366400000000, -0.0000952400000000, 0.0003755600000000 ] - [ 0.0004924300000000, 0.0007665500000000, 0.0043766500000000 ] - [ -0.0000572700000000, 0.0003721700000000, 0.0011508400000000 ] - [ -0.0004744800000000, 0.0000892100000000, 0.0001533500000000 ] - [ -0.0000382600000000, 0.0026141200000000, 0.0002130300000000 ] - [ -0.0004202300000000, 0.0022413100000000, -0.0007041500000000 ] - [ 0.0037436000000000, -0.0006992700000000, -0.0030348900000000 ] - [ 0.0009075200000000, 0.0020518300000000, -0.0005336800000000 ] - [ 0.0000566400000000, 0.0009769000000000, -0.0002097800000000 ] - [ -0.0012168300000000, 0.0030244800000000, -0.0004700500000000 ] - [ -0.0005422300000000, 0.0019057700000000, 0.0015628100000000 ] - [ -0.0011167400000000, -0.0005101000000000, -0.0003172200000000 ] - [ -0.0004767700000000, 0.0019051700000000, -0.0034724700000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011552400000000, -0.0018800900000000, -0.0001099600000000 ] - [ -0.0000714600000000, -0.0010903400000000, 0.0007301700000000 ] - [ 0.0001598700000000, 0.0010010500000000, -0.0001479300000000 ] - [ -0.0000664700000000, 0.0006595300000000, 0.0001083500000000 ] - [ 0.0015564500000000, 0.0014908500000000, -0.0009961800000000 ] - [ 0.0000074100000000, 0.0002638100000000, -0.0002269900000000 ] - [ -0.0058017400000000, 0.0048794500000000, -0.0005994400000000 ] - [ 0.0003594500000000, -0.0018204800000000, 0.0006339100000000 ] - [ 0.0006412800000000, 0.0000826800000000, 0.0008236500000000 ] - [ 0.0018350900000000, -0.0150531500000000, -0.0034294100000000 ] - [ 0.0085324800000000, 0.0077361800000000, 0.0014137500000000 ] - [ -0.0003030800000000, 0.0010564500000000, 0.0015132500000000 ] - [ -0.0015471000000000, 0.0028628300000000, -0.0011469000000000 ] - [ 0.0007008000000000, 0.0013299800000000, 0.0002487700000000 ] - [ -0.0000918200000000, 0.0000612000000000, -0.0000887700000000 ] - [ -0.0006450800000000, 0.0019162900000000, -0.0002196100000000 ] - [ 0.0000932400000000, 0.0019611400000000, 0.0014521700000000 ] - [ -0.0015395900000000, 0.0025505000000000, -0.0022458500000000 ] - [ 0.0006849100000000, 0.0022261800000000, 0.0015287000000000 ] - [ -0.0004536500000000, -0.0029166600000000, 0.0011166700000000 ] - [ -0.0000882300000000, -0.0026474400000000, -0.0021486500000000 ] - [ 0.0001138100000000, 0.0010646100000000, 0.0045268400000000 ] - [ -0.0000245400000000, -0.0003917300000000, -0.0083424700000000 ] - [ 0.0000759600000000, -0.0050418200000000, -0.0006109500000000 ] - [ -0.0001012500000000, -0.0012694900000000, 0.0004340000000000 ] - [ 0.0002107200000000, 0.0003285800000000, -0.0001525700000000 ] - [ 0.0007743500000000, -0.0018068000000000, -0.0007474900000000 ] - [ -0.0077079500000000, -0.1244774700000000, -0.1188252100000000 ] - [ -0.0009180600000000, 0.0001885000000000, -0.0010515300000000 ] - [ -0.0057259100000000, 0.0075904000000000, -0.0002488600000000 ] - [ 0.0015056600000000, 0.0005745800000000, -0.0030832300000000 ] - [ -0.0006602000000000, 0.0010187100000000, 0.0000630500000000 ] - [ -0.0010342400000000, 0.0048128700000000, -0.0012308300000000 ] - [ 0.0001040400000000, 0.0014418500000000, -0.0000062000000000 ] - [ 0.0000107000000000, 0.0020208600000000, 0.0005641000000000 ] - [ 0.0004874500000000, 0.0031062800000000, 0.0005218000000000 ] - [ -0.0001812000000000, 0.0015736700000000, 0.0003445800000000 ] - [ 0.0006841600000000, -0.0023040000000000, 0.0042671200000000 ] - [ 0.0006025200000000, 0.0016850700000000, 0.0011228100000000 ] - [ -0.0002939700000000, 0.0018253700000000, -0.0005579000000000 ] - [ 0.0077118600000000, 0.1495400600000000, 0.1636145100000000 ] - [ 0.0011596600000000, 0.0010221800000000, -0.0011757700000000 ] - [ 0.0011532300000000, -0.0000721300000000, 0.0013253800000000 ] - [ -0.0018292900000000, 0.0006362400000000, 0.0009654700000000 ] - [ -0.0002789000000000, -0.0003501600000000, -0.0001659200000000 ] - [ 0.0014866400000000, -0.0001147100000000, 0.0018100200000000 ] - [ -0.0004975900000000, 0.0001522500000000, 0.0000111800000000 ] - [ 0.0012979800000000, -0.0017352400000000, 0.0005843100000000 ] - [ -0.0000161100000000, 0.0005841400000000, -0.0004870400000000 ] - [ 0.0011379800000000, 0.0093697300000000, 0.0118122700000000 ] - [ 0.0002326000000000, 0.0002943800000000, -0.0001404200000000 ] - [ -0.0007310200000000, -0.0015344600000000, -0.0002406100000000 ] - [ -0.0001192100000000, 0.0014457500000000, -0.0074150000000000 ] - [ -0.0002105700000000, -0.0005585300000000, 0.0001569600000000 ] - [ -0.0004241100000000, -0.0009882100000000, 0.0000075900000000 ] - [ 0.0008260900000000, -0.0009196800000000, -0.0019130600000000 ] - [ -0.0000719800000000, -0.0009182300000000, -0.0006999400000000 ] - [ 0.0003424400000000, -0.0002183800000000, -0.0001944200000000 ] - [ 0.0078671000000000, -0.0014810200000000, -0.0160499400000000 ] - [ 0.0000514100000000, 0.0021116200000000, -0.0022871900000000 ] - [ 0.0001543300000000, 0.0013415000000000, 0.0005611300000000 ] - [ -0.0003820200000000, -0.0002945900000000, 0.0025322600000000 ] - [ -0.0007955700000000, -0.0007733500000000, -0.0012029900000000 ] - [ -0.0008272900000000, -0.0012004600000000, -0.0005310900000000 ] - [ 0.0003634600000000, -0.0015377000000000, 0.0003137400000000 ] - [ -0.0003687300000000, -0.0005035400000000, -0.0000752400000000 ] - [ -0.0005021800000000, -0.0002962900000000, -0.0003000500000000 ] - [ -0.0002008200000000, -0.0001400300000000, 0.0000872800000000 ] - [ -0.0004950600000000, -0.0003530500000000, 0.0002615100000000 ] - [ 0.0002979900000000, -0.0003516000000000, 0.0001789800000000 ] - [ -0.0003053000000000, -0.0000783300000000, -0.0007207000000000 ] - [ 0.0003274100000000, 0.0027389600000000, 0.0008605800000000 ] - [ 0.0013113700000000, -0.0008166500000000, 0.0015900200000000 ] - [ -0.0003149100000000, -0.0014990200000000, -0.0003672600000000 ] - [ 0.0017514600000000, 0.0018397900000000, -0.0000759500000000 ] - [ 0.0001239000000000, 0.0013397000000000, -0.0006385900000000 ] - [ -0.0007886400000000, 0.0008855100000000, 0.0004633500000000 ] - [ 0.0005193700000000, -0.0000445900000000, 0.0010271400000000 ] - [ -0.0003837900000000, -0.0020580700000000, 0.0003859000000000 ] - [ 0.0009905500000000, -0.0008179500000000, -0.0002869900000000 ] - [ 0.0000526800000000, -0.0006592100000000, 0.0000443700000000 ] - [ 0.0005804100000000, -0.0000269600000000, 0.0001609300000000 ] - [ 0.0008344600000000, -0.0007984900000000, -0.0003709400000000 ] - [ -0.0004808600000000, -0.0005006100000000, -0.0008855200000000 ] - [ 0.0005050300000000, 0.0007042600000000, -0.0005121500000000 ] - [ -0.0000161600000000, -0.0009875400000000, 0.0008286900000000 ] - [ -0.0007449600000000, -0.0009876100000000, -0.0002481600000000 ] - [ 0.0116595400000000, -0.0081464700000000, -0.0045143400000000 ] - [ 0.0000018800000000, -0.0004760500000000, -0.0000738900000000 ] - [ -0.0001444500000000, -0.0016593700000000, 0.0007945600000000 ] - [ 0.0008018800000000, -0.0008201400000000, -0.0002445900000000 ] - [ -0.0009863900000000, -0.0004112000000000, 0.0021154000000000 ] - [ -0.0000223000000000, -0.0005897100000000, -0.0001480300000000 ] - [ -0.0009734200000000, 0.0014803600000000, -0.0005204700000000 ] - [ -0.0211736400000000, -0.0216100200000000, -0.0242681900000000 ] - [ 0.0001831400000000, -0.0000200100000000, 0.0005458100000000 ] - [ 0.0002501700000000, -0.0009113200000000, 0.0009542500000000 ] - [ 0.0008749800000000, 0.0007834500000000, 0.0000151200000000 ] - [ 0.0003482400000000, -0.0003242600000000, 0.0005424300000000 ] - [ -0.0000917100000000, -0.0007563900000000, -0.0001858500000000 ] - [ 0.0000871300000000, -0.0011476800000000, -0.0000574500000000 ] - [ -0.0002498900000000, -0.0004724000000000, -0.0003169700000000 ] - [ -0.0004528900000000, -0.0009734000000000, -0.0003967500000000 ] - [ 0.0002822900000000, 0.0007735600000000, -0.0000304700000000 ] - [ -0.0027893900000000, 0.0015968000000000, -0.0004108500000000 ] - [ -0.0004555700000000, -0.0006807200000000, -0.0014656800000000 ] - [ -0.0007658400000000, 0.0005046000000000, 0.0000302800000000 ] - [ 0.0004833100000000, -0.0009929700000000, 0.0003681800000000 ] - [ -0.0010322600000000, -0.0007376500000000, -0.0047983100000000 ] - [ 0.0001228800000000, -0.0001991800000000, -0.0008286500000000 ] - [ -0.0000660600000000, -0.0001260500000000, 0.0002528400000000 ] - [ 0.0002735200000000, -0.0028156300000000, -0.0009405400000000 ] - [ 0.0009467900000000, -0.0013808600000000, 0.0008207700000000 ] - [ -0.0027784900000000, 0.0010699400000000, 0.0027485800000000 ] - [ -0.0005605600000000, -0.0009635400000000, -0.0002115200000000 ] - [ -0.0000530300000000, -0.0008612100000000, 0.0000653000000000 ] - [ 0.0002883400000000, -0.0023118800000000, 0.0005826800000000 ] - [ 0.0010859200000000, -0.0019404400000000, -0.0019649400000000 ] - [ 0.0000895300000000, 0.0002536900000000, 0.0004415900000000 ] - [ 0.0014819300000000, -0.0021335300000000, 0.0033043400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0020680500000000, 0.0003602100000000, 0.0020647600000000 ] - [ 0.0010244400000000, 0.0006058400000000, -0.0025940100000000 ] - [ -0.0000492200000000, -0.0002140800000000, 0.0005212600000000 ] - [ -0.0001745300000000, -0.0000906100000000, -0.0004482800000000 ] - [ 0.0026030300000000, 0.0017522700000000, 0.0028484600000000 ] - [ -0.0004224400000000, 0.0017032600000000, -0.0015611300000000 ] - [ 0.0097173700000000, -0.0087214900000000, 0.0041506600000000 ] - [ -0.0009731300000000, 0.0000006800000000, -0.0025067700000000 ] - [ -0.0018827900000000, -0.0023260100000000, -0.0016772200000000 ] - [ -0.0637157800000000, 0.0049425500000000, 0.0892807900000000 ] - [ -0.0079964100000000, -0.0072231200000000, 0.0009589300000000 ] - [ 0.0012191300000000, -0.0018517700000000, -0.0034494600000000 ] - [ -0.0026554500000000, 0.0016170100000000, 0.0027353100000000 ] - [ 0.0003982500000000, -0.0004812100000000, -0.0012009800000000 ] - [ 0.0001617200000000, 0.0010314500000000, -0.0024064600000000 ] - [ -0.0007199400000000, -0.0005971900000000, 0.0007398400000000 ] - [ 0.0011788300000000, -0.0018124000000000, -0.0035396000000000 ] - [ -0.0003072600000000, 0.0017619500000000, 0.0035355000000000 ] - [ -0.0008936500000000, -0.0029673900000000, 0.0015829300000000 ] - [ -0.0008923700000000, 0.0046106500000000, -0.0060861200000000 ] - [ 0.0008864400000000, 0.0014497800000000, 0.0043892400000000 ] - [ 0.0007369200000000, -0.0073289900000000, -0.0160341600000000 ] - [ 0.0033222200000000, 0.0290199600000000, 0.0006463100000000 ] - [ 0.0007093700000000, 0.0027709200000000, 0.0016004300000000 ] - [ 0.0001054000000000, 0.0005998500000000, -0.0032051900000000 ] - [ 0.0008427500000000, -0.0003523400000000, -0.0017896300000000 ] - [ 0.0009270200000000, 0.0004818100000000, -0.0022364200000000 ] - [ 0.0092952400000000, 0.1105059400000000, 0.2405611300000000 ] - [ -0.0040458300000000, 0.0034007800000000, -0.0046532500000000 ] - [ 0.0060142900000000, -0.0088380400000000, 0.0027984700000000 ] - [ 0.0062572900000000, 0.0107206900000000, 0.0045664800000000 ] - [ -0.0002604000000000, -0.0004551900000000, -0.0016431900000000 ] - [ 0.0007574600000000, -0.0026922100000000, 0.0040503300000000 ] - [ 0.0002389200000000, 0.0005611800000000, -0.0003472500000000 ] - [ -0.0002147600000000, -0.0011966800000000, 0.0004338600000000 ] - [ -0.0002675200000000, -0.0004261500000000, 0.0000259100000000 ] - [ -0.0001455800000000, 0.0003302200000000, -0.0015096500000000 ] - [ 0.0006228900000000, -0.0006707800000000, -0.0048530500000000 ] - [ 0.0000736500000000, -0.0016933200000000, -0.0002805100000000 ] - [ 0.0001679500000000, -0.0008204200000000, 0.0011662300000000 ] - [ 0.0679629500000000, -0.1564456200000000, -0.4200505100000000 ] - [ -0.0004129700000000, -0.0006294000000000, 0.0036067200000000 ] - [ 0.0034431800000000, -0.0054901100000000, 0.0040013800000000 ] - [ -0.0029527900000000, -0.0008250900000000, 0.0007532700000000 ] - [ 0.0000891400000000, -0.0000898900000000, 0.0002866200000000 ] - [ -0.0033659500000000, -0.0000182200000000, -0.0029093500000000 ] - [ -0.0008097900000000, -0.0009409400000000, 0.0007492500000000 ] - [ 0.0003155500000000, -0.0000206800000000, -0.0005071900000000 ] - [ 0.0002291600000000, -0.0006160300000000, 0.0021951900000000 ] - [ 0.0047730600000000, -0.0133518600000000, 0.0363666900000000 ] - [ 0.0011165000000000, -0.0014549300000000, 0.0013168400000000 ] - [ 0.0006557200000000, 0.0005348900000000, -0.0018387500000000 ] - [ 0.0001556300000000, 0.0072985300000000, 0.0299135700000000 ] - [ -0.0006683600000000, 0.0003910800000000, 0.0006506300000000 ] - [ 0.0000084300000000, 0.0000558500000000, -0.0006241800000000 ] - [ -0.0022004200000000, 0.0029741800000000, 0.0030728600000000 ] - [ 0.0006103500000000, 0.0011158400000000, -0.0005808200000000 ] - [ 0.0007913000000000, 0.0005305800000000, 0.0006682400000000 ] - [ -0.0163267100000000, 0.0224971400000000, 0.0167338400000000 ] - [ -0.0006300800000000, -0.0031975500000000, 0.0054845300000000 ] - [ -0.0002070300000000, 0.0002751700000000, 0.0014706200000000 ] - [ -0.0038880800000000, -0.0054868800000000, -0.0006095300000000 ] - [ 0.0027610700000000, 0.0019670000000000, 0.0031738300000000 ] - [ -0.0002327400000000, 0.0007902900000000, 0.0006040600000000 ] - [ -0.0001930800000000, -0.0007077800000000, -0.0002016800000000 ] - [ -0.0001234500000000, -0.0001073000000000, 0.0015803300000000 ] - [ -0.0004725900000000, 0.0008583000000000, 0.0002709100000000 ] - [ 0.0007236500000000, -0.0004374400000000, 0.0012531000000000 ] - [ -0.0008793800000000, -0.0005634300000000, 0.0009220900000000 ] - [ -0.0000301300000000, -0.0000913700000000, 0.0004592300000000 ] - [ -0.0002223900000000, -0.0000987900000000, 0.0023921200000000 ] - [ -0.0001593100000000, -0.0020695800000000, -0.0021454100000000 ] - [ 0.0000849000000000, 0.0005940500000000, -0.0035292500000000 ] - [ 0.0009440600000000, 0.0011949900000000, -0.0005849300000000 ] - [ -0.0023382000000000, -0.0003425800000000, -0.0012541200000000 ] - [ -0.0001153900000000, -0.0005087500000000, 0.0001732300000000 ] - [ -0.0012417500000000, 0.0002581700000000, -0.0013225500000000 ] - [ 0.0007422000000000, -0.0011286600000000, -0.0014120000000000 ] - [ 0.0000003200000000, 0.0030502100000000, -0.0015060800000000 ] - [ -0.0000241100000000, 0.0005074800000000, -0.0003333300000000 ] - [ 0.0000473800000000, 0.0000859100000000, -0.0007074400000000 ] - [ 0.0002471400000000, 0.0001142100000000, 0.0011129400000000 ] - [ -0.0000036900000000, 0.0005115500000000, 0.0000059800000000 ] - [ -0.0004915700000000, 0.0008326300000000, -0.0001660500000000 ] - [ -0.0003983100000000, 0.0000638300000000, 0.0009228900000000 ] - [ -0.0012901800000000, -0.0006307300000000, -0.0021479400000000 ] - [ -0.0002416000000000, 0.0004321900000000, 0.0002617100000000 ] - [ -0.0115215900000000, 0.0117815200000000, 0.0009830300000000 ] - [ 0.0001641500000000, -0.0002019500000000, 0.0011265300000000 ] - [ -0.0001406500000000, 0.0007503400000000, -0.0000224700000000 ] - [ 0.0003194400000000, -0.0000773400000000, 0.0007277200000000 ] - [ 0.0004754800000000, -0.0016780600000000, -0.0045368900000000 ] - [ -0.0000766700000000, 0.0000202000000000, -0.0000708400000000 ] - [ -0.0001922400000000, 0.0003191300000000, 0.0015375500000000 ] - [ 0.0139951400000000, 0.0204031800000000, 0.0037947100000000 ] - [ 0.0008165600000000, -0.0005048600000000, 0.0003660200000000 ] - [ -0.0003500400000000, -0.0029052700000000, 0.0003067200000000 ] - [ 0.0003969400000000, -0.0010461500000000, 0.0017143500000000 ] - [ -0.0001190300000000, 0.0007080500000000, -0.0001614400000000 ] - [ -0.0001894800000000, 0.0000725700000000, -0.0000316300000000 ] - [ 0.0001978400000000, 0.0008864500000000, 0.0007231300000000 ] - [ 0.0007554900000000, 0.0008050200000000, -0.0002642500000000 ] - [ -0.0003009500000000, -0.0007943300000000, 0.0000488000000000 ] - [ 0.0008294200000000, -0.0005845400000000, 0.0012308700000000 ] - [ 0.0015029400000000, -0.0005073700000000, 0.0000644100000000 ] - [ -0.0001739900000000, 0.0000003600000000, 0.0023079500000000 ] - [ -0.0003387100000000, -0.0003566400000000, 0.0008487200000000 ] - [ 0.0003662500000000, -0.0008007100000000, 0.0008766500000000 ] - [ 0.0004334700000000, 0.0007153100000000, 0.0034350200000000 ] - [ -0.0027316000000000, 0.0041995800000000, 0.0032935600000000 ] - [ 0.0001800900000000, -0.0004899000000000, 0.0034601400000000 ] - [ 0.0000367200000000, 0.0009414100000000, -0.0008553400000000 ] - [ 0.0001604000000000, 0.0026877900000000, -0.0026309200000000 ] - [ -0.0126594800000000, -0.0126391500000000, 0.0019381800000000 ] - [ 0.0005523000000000, 0.0002437400000000, -0.0007735200000000 ] - [ 0.0000182000000000, 0.0001970900000000, 0.0002845200000000 ] - [ -0.0005969700000000, 0.0025962100000000, -0.0011253600000000 ] - [ -0.0008705200000000, 0.0021354500000000, 0.0007622900000000 ] - [ 0.0001005900000000, -0.0002239300000000, -0.0012404000000000 ] - [ 0.0036033900000000, -0.0058012300000000, -0.0027238900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0022530400000000, -0.0003547100000000, -0.0020397500000000 ] - [ -0.0011883900000000, -0.0006042800000000, 0.0025963200000000 ] - [ 0.0002039300000000, 0.0002125700000000, -0.0005217200000000 ] - [ 0.0000206300000000, 0.0000883900000000, 0.0004466100000000 ] - [ -0.0026103000000000, -0.0025915500000000, -0.0028625300000000 ] - [ 0.0004166400000000, -0.0008626000000000, 0.0015663000000000 ] - [ -0.0097354100000000, 0.0091259800000000, -0.0041730200000000 ] - [ 0.0021594400000000, 0.0000079600000000, 0.0025067500000000 ] - [ 0.0018723000000000, 0.0019278000000000, 0.0016806300000000 ] - [ 0.0582919100000000, -0.0044278100000000, -0.0853182800000000 ] - [ 0.0079551600000000, 0.0063371900000000, -0.0009685500000000 ] - [ -0.0012057400000000, 0.0026818000000000, 0.0034601300000000 ] - [ 0.0026602600000000, -0.0012254500000000, -0.0027477100000000 ] - [ 0.0007750700000000, 0.0004793500000000, 0.0011989200000000 ] - [ -0.0001555600000000, -0.0014214100000000, 0.0024138200000000 ] - [ -0.0004518500000000, 0.0005947500000000, -0.0007405300000000 ] - [ -0.0005066100000000, 0.0026710000000000, 0.0030498300000000 ] - [ -0.0003684600000000, -0.0009169600000000, -0.0030334700000000 ] - [ 0.0002150300000000, 0.0021116300000000, -0.0020582400000000 ] - [ 0.0001344600000000, -0.0047349600000000, 0.0056159400000000 ] - [ -0.0001291200000000, -0.0012894800000000, -0.0048642700000000 ] - [ -0.0007374400000000, 0.0078935800000000, 0.0161670800000000 ] - [ -0.0041328600000000, -0.0290966800000000, -0.0002931400000000 ] - [ -0.0007142500000000, -0.0033471300000000, -0.0014503000000000 ] - [ -0.0001003800000000, -0.0000103400000000, 0.0030493500000000 ] - [ -0.0001697100000000, -0.0005076900000000, 0.0022748300000000 ] - [ -0.0001726300000000, -0.0006298200000000, 0.0027159700000000 ] - [ -0.0103349900000000, -0.1200995000000000, -0.2539555700000000 ] - [ 0.0047475400000000, -0.0025653300000000, 0.0041722400000000 ] - [ -0.0067166100000000, 0.0097347500000000, -0.0023198700000000 ] - [ -0.0069638200000000, -0.0116181100000000, -0.0050532400000000 ] - [ -0.0004985200000000, 0.0003002700000000, 0.0011800100000000 ] - [ 0.0000140800000000, 0.0028337500000000, -0.0045230400000000 ] - [ -0.0002465300000000, 0.0000191100000000, 0.0005130400000000 ] - [ -0.0005485700000000, 0.0013466500000000, 0.0000249500000000 ] - [ 0.0002736800000000, -0.0001620900000000, 0.0001321500000000 ] - [ 0.0001536000000000, 0.0002514200000000, 0.0013465700000000 ] - [ 0.0000579300000000, -0.0001606200000000, 0.0053170000000000 ] - [ 0.0006850500000000, 0.0015356200000000, 0.0007498000000000 ] - [ -0.0001737400000000, 0.0002363100000000, -0.0013327400000000 ] - [ -0.0626383300000000, 0.1654643000000000, 0.4303498700000000 ] - [ 0.0015986000000000, 0.0010658900000000, -0.0033019300000000 ] - [ -0.0022631600000000, 0.0050902800000000, -0.0043240400000000 ] - [ 0.0017690200000000, 0.0012707400000000, -0.0010637400000000 ] - [ -0.0001501900000000, 0.0002692000000000, -0.0006136100000000 ] - [ 0.0021754100000000, -0.0004284600000000, 0.0032125500000000 ] - [ -0.0001159900000000, 0.0002243800000000, -0.0008662300000000 ] - [ 0.0006400200000000, -0.0003120500000000, 0.0007972300000000 ] - [ -0.0002262200000000, 0.0004981500000000, -0.0020570900000000 ] - [ -0.0052524000000000, 0.0133443700000000, -0.0366003100000000 ] - [ -0.0001831000000000, 0.0007305700000000, -0.0012067900000000 ] - [ -0.0001156000000000, -0.0005069200000000, 0.0022390000000000 ] - [ -0.0001671200000000, -0.0073784900000000, -0.0296827000000000 ] - [ -0.0002889300000000, -0.0000517400000000, -0.0003577500000000 ] - [ 0.0000534900000000, -0.0002356800000000, 0.0002994900000000 ] - [ 0.0016778800000000, -0.0021121400000000, -0.0031908000000000 ] - [ -0.0000805400000000, -0.0019786800000000, 0.0004614000000000 ] - [ 0.0002372100000000, -0.0002746700000000, -0.0005449100000000 ] - [ 0.0162546300000000, -0.0218270500000000, -0.0162146900000000 ] - [ 0.0003902200000000, 0.0033796900000000, -0.0061834100000000 ] - [ 0.0004422400000000, -0.0000812800000000, -0.0007505500000000 ] - [ 0.0048522500000000, 0.0062390600000000, 0.0005194800000000 ] - [ -0.0030904100000000, -0.0030410400000000, -0.0039046200000000 ] - [ -0.0007244100000000, -0.0011282700000000, -0.0008987300000000 ] - [ 0.0001312000000000, 0.0005318300000000, 0.0005276500000000 ] - [ -0.0004009800000000, -0.0007542000000000, -0.0014677000000000 ] - [ -0.0005552000000000, -0.0005995200000000, -0.0003989100000000 ] - [ -0.0003735100000000, -0.0006537200000000, -0.0005129700000000 ] - [ 0.0003393400000000, 0.0005985600000000, -0.0013273200000000 ] - [ 0.0000918600000000, 0.0002723000000000, -0.0001370300000000 ] - [ -0.0003181900000000, 0.0000641600000000, -0.0019901300000000 ] - [ 0.0003979400000000, 0.0018684500000000, 0.0014222600000000 ] - [ 0.0004387900000000, 0.0002809400000000, 0.0036435700000000 ] - [ 0.0000135000000000, -0.0008572100000000, 0.0002884000000000 ] - [ 0.0026940000000000, 0.0014341800000000, 0.0005129100000000 ] - [ 0.0001183500000000, 0.0006212200000000, -0.0003087700000000 ] - [ 0.0003132500000000, 0.0004553000000000, 0.0014368000000000 ] - [ -0.0001997200000000, 0.0010944000000000, 0.0010000600000000 ] - [ -0.0010352500000000, -0.0033127100000000, 0.0016331000000000 ] - [ 0.0010525700000000, -0.0007619300000000, 0.0002092200000000 ] - [ -0.0000504100000000, 0.0000315800000000, 0.0008502100000000 ] - [ 0.0009464000000000, 0.0003326400000000, -0.0008144700000000 ] - [ 0.0011992000000000, -0.0009579600000000, -0.0003047700000000 ] - [ -0.0006980600000000, -0.0003872600000000, -0.0001396000000000 ] - [ 0.0003337300000000, 0.0001145800000000, -0.0012516300000000 ] - [ 0.0000969800000000, 0.0001895100000000, 0.0024483900000000 ] - [ -0.0006886500000000, -0.0011465900000000, -0.0003771200000000 ] - [ 0.0124860400000000, -0.0121664100000000, -0.0007352000000000 ] - [ -0.0001614800000000, 0.0000862700000000, -0.0009860100000000 ] - [ -0.0000925600000000, -0.0009482100000000, 0.0007495900000000 ] - [ 0.0006082600000000, -0.0006392600000000, -0.0006194100000000 ] - [ 0.0000722100000000, 0.0017179300000000, 0.0049384500000000 ] - [ 0.0000735900000000, -0.0001359200000000, -0.0000741500000000 ] - [ -0.0007663300000000, 0.0000079200000000, -0.0012437300000000 ] - [ -0.0139178500000000, -0.0206404800000000, -0.0039607500000000 ] - [ -0.0013491800000000, 0.0013760800000000, -0.0004718400000000 ] - [ 0.0008778700000000, 0.0020516300000000, -0.0004288500000000 ] - [ 0.0006234200000000, 0.0012930600000000, -0.0015933800000000 ] - [ -0.0002287500000000, 0.0003810700000000, 0.0009066100000000 ] - [ -0.0000443200000000, 0.0001292400000000, -0.0006980800000000 ] - [ 0.0000359500000000, -0.0006848300000000, 0.0000025600000000 ] - [ 0.0001777000000000, -0.0000839900000000, 0.0001545900000000 ] - [ -0.0000446600000000, -0.0002926800000000, -0.0007954300000000 ] - [ -0.0017972800000000, 0.0002491100000000, -0.0015299500000000 ] - [ -0.0015494900000000, 0.0003215900000000, 0.0002649800000000 ] - [ -0.0003539700000000, -0.0008664500000000, -0.0021898500000000 ] - [ -0.0006892300000000, 0.0006116800000000, -0.0009787200000000 ] - [ -0.0000212500000000, -0.0002874700000000, -0.0001351400000000 ] - [ -0.0009712800000000, -0.0006774000000000, -0.0038085400000000 ] - [ 0.0027720200000000, -0.0039943300000000, -0.0029624300000000 ] - [ -0.0007267100000000, 0.0004610900000000, -0.0030617100000000 ] - [ 0.0001953500000000, -0.0011365500000000, 0.0001300900000000 ] - [ 0.0003671200000000, -0.0018290300000000, 0.0027475800000000 ] - [ 0.0136161600000000, 0.0130031900000000, -0.0022699800000000 ] - [ -0.0002051400000000, 0.0008476400000000, 0.0000297700000000 ] - [ -0.0000157400000000, -0.0000789000000000, -0.0004264200000000 ] - [ -0.0003396300000000, -0.0018719000000000, 0.0012357800000000 ] - [ 0.0014158500000000, -0.0021796300000000, -0.0011799900000000 ] - [ -0.0011306300000000, -0.0000341700000000, 0.0013685000000000 ] - [ -0.0025860500000000, 0.0055680100000000, 0.0026395500000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004279100000000, -0.0002663600000000, 0.0008169600000000 ] - [ -0.0025538600000000, -0.0020849500000000, -0.0016905500000000 ] - [ 0.0002010900000000, -0.0001781400000000, 0.0001145900000000 ] - [ -0.0000209900000000, -0.0020624600000000, 0.0003348500000000 ] - [ -0.0003132500000000, -0.0006228100000000, -0.0000232100000000 ] - [ -0.0098003900000000, 0.0110352800000000, 0.0037015400000000 ] - [ -0.0009017500000000, 0.0002681500000000, -0.0011101700000000 ] - [ -0.0061252000000000, 0.0138466000000000, -0.0000104400000000 ] - [ -0.0016813900000000, -0.0016749700000000, 0.0001524800000000 ] - [ 0.0009350200000000, 0.0004804500000000, 0.0022411600000000 ] - [ -0.0013540100000000, -0.0004920900000000, 0.0083358400000000 ] - [ 0.0016229500000000, -0.0008000700000000, -0.0009599200000000 ] - [ 0.0002714000000000, 0.0000031500000000, 0.0005608700000000 ] - [ 0.0015080000000000, 0.0010546300000000, -0.0007159300000000 ] - [ 0.0022099200000000, 0.0011109100000000, -0.0116385700000000 ] - [ -0.0013977700000000, 0.0002628200000000, 0.0001034800000000 ] - [ -0.0045607600000000, 0.0039256300000000, -0.0036230800000000 ] - [ -0.0002731900000000, 0.0017460600000000, 0.0033969000000000 ] - [ -0.0005564800000000, -0.0009523000000000, 0.0004975500000000 ] - [ 0.0589801500000000, 0.0059720400000000, -0.0111174600000000 ] - [ -0.0001366800000000, 0.0012124200000000, 0.0006422900000000 ] - [ -0.0021901700000000, -0.0066173900000000, 0.0053445300000000 ] - [ 0.0004855500000000, 0.0000447700000000, 0.0000306700000000 ] - [ -0.0030445400000000, 0.0007204800000000, 0.0034277100000000 ] - [ -0.0009418000000000, 0.0016627900000000, -0.0029548200000000 ] - [ -0.0004710000000000, -0.0011298000000000, -0.0003640600000000 ] - [ -0.0044316800000000, 0.0007879100000000, -0.0008770100000000 ] - [ 0.0029099100000000, 0.0013746300000000, 0.0001181800000000 ] - [ 0.0029775800000000, 0.0018736500000000, -0.0011373200000000 ] - [ 0.0003368600000000, -0.0000205200000000, 0.0009983600000000 ] - [ -0.0000616300000000, 0.0007981100000000, 0.0006631700000000 ] - [ -0.0009866600000000, -0.0007901000000000, -0.0004377700000000 ] - [ 0.0027940500000000, 0.0001388300000000, 0.0010229400000000 ] - [ -0.0038815100000000, 0.0001486500000000, -0.0008755000000000 ] - [ -0.0038153200000000, -0.0003048200000000, -0.0000988100000000 ] - [ 0.0005024700000000, -0.0006481400000000, 0.0002389500000000 ] - [ 0.0055167000000000, 0.0030681500000000, 0.0002466500000000 ] - [ 0.1267941700000000, 0.0350101600000000, -0.0206920300000000 ] - [ 0.0006520800000000, -0.0004117800000000, 0.0004960500000000 ] - [ -0.0004395300000000, -0.0008011800000000, 0.0005739100000000 ] - [ -0.0004777800000000, -0.0004988700000000, -0.0009203800000000 ] - [ -0.2394615600000000, -0.0680448200000000, 0.0851646400000000 ] - [ -0.0002733100000000, -0.0000457000000000, -0.0001239400000000 ] - [ 0.0004182100000000, -0.0001922300000000, -0.0002278600000000 ] - [ -0.0017519100000000, -0.0040660800000000, -0.0010069500000000 ] - [ -0.0008650100000000, -0.0004236300000000, -0.0003997600000000 ] - [ 0.0040628600000000, -0.0000851100000000, -0.0010467900000000 ] - [ 0.0010793500000000, -0.0011201200000000, -0.0004750000000000 ] - [ 0.0023198500000000, -0.0021252800000000, 0.0028185200000000 ] - [ -0.0007766300000000, -0.0004099300000000, 0.0004859300000000 ] - [ 0.0228518800000000, -0.0001109900000000, -0.0338649700000000 ] - [ 0.0003637000000000, 0.0000809100000000, -0.0002140300000000 ] - [ -0.0004793900000000, 0.0004897300000000, -0.0028961300000000 ] - [ -0.0004295000000000, 0.0001680800000000, 0.0003218900000000 ] - [ 0.0003093500000000, 0.0001425300000000, -0.0002423200000000 ] - [ 0.0016495600000000, -0.0005567700000000, 0.0017627400000000 ] - [ 0.0004762900000000, 0.0000048200000000, -0.0005069700000000 ] - [ 0.0009342400000000, 0.0004848900000000, 0.0001996400000000 ] - [ -0.0008956300000000, 0.0005037800000000, 0.0010019400000000 ] - [ -0.0060618100000000, 0.0104367600000000, -0.0087980300000000 ] - [ 0.0008000500000000, 0.0000094300000000, 0.0009202100000000 ] - [ 0.0001406900000000, 0.0004781500000000, 0.0000805100000000 ] - [ 0.0009507400000000, 0.0015100300000000, -0.0009451900000000 ] - [ -0.0000826400000000, -0.0013672900000000, 0.0005537000000000 ] - [ -0.0002511100000000, 0.0001790100000000, 0.0001241200000000 ] - [ 0.0002052400000000, 0.0002819200000000, 0.0004549900000000 ] - [ -0.0005806100000000, 0.0006030400000000, -0.0001605700000000 ] - [ 0.0014852400000000, -0.0008029700000000, 0.0009597300000000 ] - [ -0.0000976800000000, 0.0001302900000000, 0.0001452700000000 ] - [ 0.0019457200000000, -0.0011119300000000, 0.0000844800000000 ] - [ 0.0022914700000000, -0.0018072200000000, 0.0024592400000000 ] - [ 0.0003690400000000, -0.0012707500000000, -0.0013376300000000 ] - [ 0.0004664100000000, 0.0004661200000000, -0.0011645600000000 ] - [ 0.0007730400000000, 0.0004622500000000, -0.0002875600000000 ] - [ 0.0019151500000000, 0.0009782400000000, -0.0008428500000000 ] - [ 0.0026703300000000, -0.0011678200000000, -0.0024139500000000 ] - [ -0.0000083400000000, 0.0000973500000000, -0.0000702500000000 ] - [ 0.0006418500000000, -0.0017557300000000, -0.0036738500000000 ] - [ -0.0012721700000000, -0.0004679300000000, 0.0000712900000000 ] - [ 0.0017614100000000, -0.0006027500000000, -0.0000886100000000 ] - [ 0.0002501500000000, 0.0000742700000000, -0.0002738100000000 ] - [ 0.0010619000000000, 0.0005032000000000, 0.0001436400000000 ] - [ 0.0032535900000000, -0.0009972600000000, 0.0010032600000000 ] - [ -0.0005138400000000, 0.0002599800000000, -0.0004268000000000 ] - [ -0.0003854200000000, -0.0002930600000000, 0.0004584700000000 ] - [ -0.0015835400000000, -0.0007098700000000, -0.0010880800000000 ] - [ -0.0007713300000000, -0.0000027400000000, 0.0000010100000000 ] - [ -0.0001228600000000, 0.0002406800000000, -0.0003144300000000 ] - [ -0.0012333700000000, -0.0006341400000000, 0.0007557300000000 ] - [ 0.0004236400000000, 0.0004648200000000, 0.0002861500000000 ] - [ 0.0005963100000000, -0.0000773000000000, 0.0002448800000000 ] - [ 0.0002709400000000, -0.0002417100000000, -0.0009519700000000 ] - [ 0.0008415000000000, 0.0001807200000000, 0.0005294400000000 ] - [ 0.0365038600000000, -0.0161479000000000, -0.0103881900000000 ] - [ -0.0017906700000000, -0.0017468300000000, -0.0014654500000000 ] - [ -0.0007069800000000, 0.0004084800000000, -0.0000959700000000 ] - [ 0.0000505600000000, -0.0007953300000000, -0.0000096700000000 ] - [ -0.0124279400000000, -0.0013864100000000, 0.0070917400000000 ] - [ -0.0000409600000000, 0.0007093000000000, 0.0001099600000000 ] - [ 0.0004291900000000, 0.0005131400000000, -0.0003778500000000 ] - [ -0.0005174200000000, -0.0002976800000000, 0.0001336300000000 ] - [ 0.0031465600000000, 0.0015593500000000, -0.0007593800000000 ] - [ 0.0024847300000000, 0.0009868700000000, 0.0018060200000000 ] - [ -0.0018456200000000, -0.0035412700000000, -0.0000458300000000 ] - [ 0.0017770800000000, -0.0010891700000000, -0.0017197800000000 ] - [ 0.0177042100000000, 0.0178079800000000, 0.0062239400000000 ] - [ 0.0017391400000000, -0.0013359400000000, 0.0022706700000000 ] - [ -0.0026672200000000, 0.0001840100000000, 0.0013276300000000 ] - [ 0.0041707100000000, 0.0045623700000000, -0.0126891800000000 ] - [ -0.0015882600000000, 0.0032024900000000, -0.0006120200000000 ] - [ -0.0008105400000000, -0.0001407900000000, 0.0012194900000000 ] - [ -0.0002325900000000, -0.0000285300000000, -0.0005072700000000 ] - [ 0.0001749000000000, 0.0006435000000000, -0.0003021200000000 ] - [ -0.0001434000000000, -0.0006815200000000, -0.0006410600000000 ] - [ -0.0000303600000000, 0.0006439100000000, -0.0004777200000000 ] - [ -0.0005663700000000, 0.0001717400000000, 0.0000321800000000 ] - [ -0.0020166800000000, 0.0011052000000000, -0.0013207400000000 ] - [ -0.0000580400000000, 0.0001310500000000, -0.0005316500000000 ] - [ -0.0004907900000000, -0.0003552000000000, -0.0001915900000000 ] - [ 0.0002182200000000, -0.0000122300000000, -0.0000809500000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005882200000000, 0.0002667600000000, -0.0008259500000000 ] - [ 0.0024201100000000, 0.0020902100000000, 0.0017027900000000 ] - [ -0.0000486600000000, 0.0001767300000000, -0.0001198700000000 ] - [ -0.0001329800000000, 0.0020825900000000, -0.0003332200000000 ] - [ 0.0003157400000000, -0.0002135300000000, 0.0000196800000000 ] - [ 0.0098569400000000, -0.0102480800000000, -0.0037087600000000 ] - [ 0.0009113400000000, 0.0001225000000000, 0.0011032100000000 ] - [ 0.0073659400000000, -0.0140108600000000, 0.0000207200000000 ] - [ 0.0017103200000000, 0.0013071800000000, -0.0001490600000000 ] - [ -0.0021234300000000, -0.0004716900000000, -0.0022921600000000 ] - [ 0.0013767900000000, -0.0003424700000000, -0.0084429300000000 ] - [ -0.0016530500000000, 0.0016620500000000, 0.0009772600000000 ] - [ -0.0002742600000000, 0.0003907200000000, -0.0005693300000000 ] - [ -0.0003392900000000, -0.0010500800000000, 0.0007286800000000 ] - [ -0.0023379400000000, -0.0016187400000000, 0.0117595900000000 ] - [ 0.0002308400000000, -0.0002632600000000, -0.0001095700000000 ] - [ 0.0052526800000000, -0.0030747200000000, 0.0031619900000000 ] - [ -0.0004006800000000, -0.0009025400000000, -0.0029460300000000 ] - [ -0.0001150900000000, 0.0001053100000000, -0.0009993900000000 ] - [ -0.0597948700000000, -0.0060472000000000, 0.0109292700000000 ] - [ 0.0008976700000000, -0.0010772300000000, -0.0011249400000000 ] - [ 0.0022473800000000, 0.0073379500000000, -0.0052930400000000 ] - [ -0.0012488400000000, 0.0001009800000000, 0.0004367500000000 ] - [ 0.0030772600000000, -0.0013167800000000, -0.0033165500000000 ] - [ 0.0009455200000000, -0.0010990700000000, 0.0028416100000000 ] - [ 0.0011507100000000, 0.0002809200000000, 0.0008624100000000 ] - [ 0.0051961100000000, -0.0009335600000000, 0.0013524600000000 ] - [ -0.0029418200000000, -0.0019865800000000, -0.0003026000000000 ] - [ -0.0023337600000000, -0.0010382800000000, 0.0006708600000000 ] - [ -0.0010282300000000, 0.0008873000000000, -0.0005276100000000 ] - [ -0.0006501400000000, -0.0016572700000000, -0.0012024500000000 ] - [ 0.0002306300000000, 0.0006437200000000, -0.0000197000000000 ] - [ -0.0020592600000000, 0.0000166900000000, -0.0015147800000000 ] - [ 0.0038887200000000, 0.0004319300000000, 0.0010472200000000 ] - [ 0.0030837000000000, 0.0004686000000000, 0.0005610500000000 ] - [ -0.0005012600000000, 0.0000731300000000, -0.0000804200000000 ] - [ -0.0055185200000000, -0.0025152700000000, -0.0003891500000000 ] - [ -0.1340823200000000, -0.0392070000000000, 0.0247653600000000 ] - [ 0.0001077500000000, 0.0002667400000000, -0.0000356100000000 ] - [ 0.0004355600000000, 0.0002266600000000, -0.0007493300000000 ] - [ 0.0004750000000000, 0.0006255800000000, 0.0010896800000000 ] - [ 0.2500125500000000, 0.0723499200000000, -0.0891847100000000 ] - [ 0.0014718300000000, -0.0003989500000000, -0.0001809100000000 ] - [ -0.0016058300000000, 0.0006357200000000, -0.0000761500000000 ] - [ 0.0016892200000000, 0.0042682100000000, 0.0006784700000000 ] - [ -0.0003209000000000, -0.0000179600000000, 0.0007129600000000 ] - [ -0.0050073300000000, -0.0006327900000000, 0.0009371300000000 ] - [ -0.0001263200000000, 0.0007896600000000, 0.0007757100000000 ] - [ -0.0023433000000000, 0.0020401100000000, -0.0027216100000000 ] - [ 0.0005474100000000, 0.0002171000000000, 0.0002419200000000 ] - [ -0.0215863800000000, -0.0005262200000000, 0.0334960000000000 ] - [ 0.0001763100000000, -0.0000474400000000, 0.0006284100000000 ] - [ 0.0004716900000000, -0.0006201500000000, 0.0028094100000000 ] - [ -0.0005277700000000, 0.0001655500000000, -0.0000315400000000 ] - [ -0.0002512100000000, -0.0003251400000000, -0.0000800600000000 ] - [ -0.0021785400000000, 0.0014215800000000, -0.0018777000000000 ] - [ 0.0000464100000000, -0.0008762500000000, 0.0004028500000000 ] - [ 0.0000889600000000, -0.0002331600000000, -0.0000766700000000 ] - [ 0.0005495000000000, 0.0005890200000000, -0.0002562100000000 ] - [ 0.0057278000000000, -0.0105233200000000, 0.0083179500000000 ] - [ -0.0005646400000000, 0.0001864200000000, -0.0002044300000000 ] - [ 0.0007894600000000, 0.0002414400000000, -0.0001908200000000 ] - [ -0.0013474200000000, -0.0026412900000000, 0.0002075500000000 ] - [ -0.0008789700000000, 0.0010281200000000, -0.0008538200000000 ] - [ 0.0001922600000000, -0.0003629100000000, 0.0002026300000000 ] - [ -0.0007387600000000, -0.0011517800000000, -0.0003516800000000 ] - [ -0.0004483000000000, -0.0003555800000000, 0.0000366000000000 ] - [ -0.0011531200000000, -0.0002806300000000, -0.0002255900000000 ] - [ -0.0004465600000000, -0.0000961300000000, -0.0005556200000000 ] - [ -0.0018942000000000, 0.0012982900000000, 0.0002385400000000 ] - [ -0.0028493600000000, 0.0017839800000000, -0.0020779900000000 ] - [ -0.0001360800000000, 0.0010894500000000, 0.0006277800000000 ] - [ 0.0000579800000000, 0.0003976600000000, 0.0012933300000000 ] - [ 0.0001795200000000, -0.0001307800000000, -0.0000026800000000 ] - [ -0.0015852500000000, 0.0001078900000000, 0.0001088200000000 ] - [ -0.0027013700000000, 0.0013032900000000, 0.0023086200000000 ] - [ -0.0009260900000000, 0.0006247000000000, 0.0001852100000000 ] - [ -0.0001098500000000, 0.0017333500000000, 0.0032920000000000 ] - [ 0.0002493400000000, 0.0002134500000000, 0.0000595900000000 ] - [ -0.0007443300000000, 0.0003496800000000, -0.0000319900000000 ] - [ -0.0002561600000000, 0.0000415300000000, 0.0004241600000000 ] - [ 0.0001280100000000, -0.0000599700000000, 0.0001548000000000 ] - [ -0.0020762800000000, 0.0005535000000000, -0.0013113600000000 ] - [ -0.0006816000000000, 0.0001842300000000, 0.0001306000000000 ] - [ 0.0003341700000000, 0.0004797200000000, -0.0007937200000000 ] - [ 0.0003989600000000, 0.0002700700000000, 0.0014075800000000 ] - [ -0.0001577900000000, -0.0007221700000000, -0.0001125500000000 ] - [ 0.0010910100000000, -0.0005892000000000, 0.0006182600000000 ] - [ 0.0012395300000000, 0.0005227100000000, -0.0006302600000000 ] - [ -0.0006637200000000, -0.0006755600000000, 0.0004446100000000 ] - [ 0.0003320800000000, -0.0006436600000000, -0.0001369100000000 ] - [ 0.0002729500000000, 0.0002808000000000, 0.0013917900000000 ] - [ -0.0008488600000000, -0.0002973600000000, -0.0006743700000000 ] - [ -0.0385726800000000, 0.0169383400000000, 0.0109602700000000 ] - [ 0.0018716900000000, 0.0015895300000000, 0.0011643600000000 ] - [ 0.0001843000000000, 0.0004568200000000, -0.0000191100000000 ] - [ 0.0005061600000000, -0.0000568900000000, -0.0000705600000000 ] - [ 0.0135756000000000, 0.0016709100000000, -0.0067471100000000 ] - [ -0.0003069900000000, 0.0003763900000000, 0.0006384500000000 ] - [ -0.0006665200000000, -0.0003154500000000, -0.0003507700000000 ] - [ 0.0007512300000000, 0.0004992800000000, 0.0005941800000000 ] - [ -0.0022434700000000, -0.0008563800000000, 0.0006573800000000 ] - [ -0.0028407300000000, -0.0020799000000000, -0.0025668200000000 ] - [ 0.0009082500000000, 0.0032502400000000, -0.0002522500000000 ] - [ -0.0018571300000000, 0.0009177300000000, 0.0020701200000000 ] - [ -0.0185866100000000, -0.0192048900000000, -0.0063287400000000 ] - [ -0.0027539400000000, 0.0015947300000000, -0.0024127200000000 ] - [ 0.0030213100000000, -0.0012500100000000, -0.0006010100000000 ] - [ -0.0048831500000000, -0.0047565400000000, 0.0126679400000000 ] - [ 0.0016755900000000, -0.0030757800000000, 0.0009505600000000 ] - [ 0.0002748500000000, 0.0001083600000000, -0.0008330000000000 ] - [ 0.0004698000000000, -0.0001736700000000, -0.0002162200000000 ] - [ 0.0003530900000000, 0.0002161400000000, 0.0004241300000000 ] - [ 0.0011153900000000, 0.0010236600000000, 0.0003711200000000 ] - [ 0.0003773400000000, 0.0004423900000000, -0.0002641100000000 ] - [ 0.0005734700000000, -0.0000600500000000, -0.0001739500000000 ] - [ 0.0011019900000000, -0.0003974100000000, 0.0014538100000000 ] - [ 0.0006063300000000, -0.0001682400000000, 0.0001338700000000 ] - [ -0.0005361400000000, 0.0001040800000000, 0.0003207400000000 ] - [ 0.0008098600000000, -0.0002422000000000, -0.0000426200000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002985700000000, 0.0002007100000000, 0.0004195100000000 ] - [ -0.0015274500000000, -0.0001799500000000, -0.0008436000000000 ] - [ 0.0001038500000000, -0.0003619400000000, -0.0000525600000000 ] - [ -0.0002563400000000, -0.0020239700000000, 0.0004570600000000 ] - [ -0.0001971200000000, -0.0012821600000000, -0.0000327100000000 ] - [ -0.0020846300000000, 0.0046973300000000, 0.0000275600000000 ] - [ -0.0001066900000000, 0.0013519700000000, 0.0003098100000000 ] - [ 0.0016636000000000, -0.0007816000000000, -0.0008818000000000 ] - [ -0.0016871400000000, -0.0025177000000000, 0.0001037900000000 ] - [ 0.0011780400000000, 0.0011886100000000, 0.0022982200000000 ] - [ -0.0015947000000000, 0.0007522800000000, 0.0061438900000000 ] - [ 0.0018531200000000, -0.0022587400000000, -0.0004428600000000 ] - [ 0.0001881600000000, -0.0008241700000000, 0.0000000700000000 ] - [ 0.0015069100000000, -0.0015908600000000, 0.0002758400000000 ] - [ 0.0001237600000000, 0.0011052400000000, -0.0098412800000000 ] - [ -0.0010715200000000, -0.0004416900000000, -0.0001646800000000 ] - [ 0.0004176600000000, 0.0021916000000000, -0.0009194800000000 ] - [ -0.0000553200000000, 0.0011636400000000, 0.0009956100000000 ] - [ -0.0004564500000000, -0.0016387800000000, 0.0003386900000000 ] - [ 0.0096986500000000, 0.0480854900000000, -0.0260495000000000 ] - [ 0.0003706900000000, 0.0003364800000000, -0.0000172800000000 ] - [ -0.0057246700000000, -0.0096931100000000, 0.0097736900000000 ] - [ -0.0005537900000000, -0.0005850700000000, -0.0009676000000000 ] - [ -0.0007732400000000, 0.0015856100000000, -0.0006721700000000 ] - [ 0.0000007500000000, 0.0010847300000000, 0.0005638800000000 ] - [ 0.0001491900000000, -0.0021364100000000, -0.0002105400000000 ] - [ -0.0010411000000000, 0.0021263900000000, -0.0002108300000000 ] - [ 0.0009803300000000, 0.0025644400000000, -0.0005222400000000 ] - [ 0.0009850700000000, -0.0014810800000000, -0.0012633400000000 ] - [ 0.0001986600000000, -0.0003346900000000, 0.0010644500000000 ] - [ -0.0001685200000000, 0.0011543100000000, -0.0002688200000000 ] - [ -0.0004556700000000, -0.0018189500000000, -0.0003808100000000 ] - [ 0.0014901500000000, -0.0003301300000000, 0.0008465700000000 ] - [ -0.0025159300000000, -0.0009570100000000, -0.0007060400000000 ] - [ -0.0021913800000000, -0.0003477300000000, 0.0007473100000000 ] - [ 0.0001352000000000, -0.0016520300000000, 0.0007455800000000 ] - [ 0.0019726900000000, -0.0018936900000000, -0.0018840800000000 ] - [ 0.0315944300000000, 0.0561981100000000, -0.0067594000000000 ] - [ 0.0000854500000000, -0.0024762200000000, 0.0004016900000000 ] - [ -0.0000737200000000, -0.0014193400000000, 0.0004478900000000 ] - [ -0.0001801900000000, -0.0007402900000000, -0.0007758500000000 ] - [ -0.0690913300000000, -0.1147063700000000, 0.0682911500000000 ] - [ 0.0004174100000000, 0.0002769900000000, 0.0004678600000000 ] - [ -0.0001807400000000, -0.0002931000000000, -0.0000664600000000 ] - [ -0.0011147900000000, -0.0003976600000000, 0.0007301600000000 ] - [ -0.0007992800000000, -0.0002382800000000, -0.0001276300000000 ] - [ 0.0006495500000000, -0.0008609500000000, -0.0001496800000000 ] - [ 0.0006315600000000, -0.0004181500000000, 0.0000152900000000 ] - [ 0.0000183500000000, -0.0001706000000000, -0.0001298800000000 ] - [ -0.0001068200000000, -0.0004773500000000, 0.0013498700000000 ] - [ 0.0067078900000000, -0.0083480000000000, -0.0065693600000000 ] - [ 0.0003295200000000, 0.0002978100000000, -0.0000409400000000 ] - [ 0.0002382600000000, -0.0002234700000000, -0.0053821500000000 ] - [ -0.0009261600000000, 0.0012219300000000, 0.0002317900000000 ] - [ 0.0002929200000000, 0.0004190300000000, -0.0002191200000000 ] - [ -0.0002565600000000, -0.0004778400000000, -0.0001137700000000 ] - [ 0.0004235300000000, 0.0003008500000000, -0.0007034800000000 ] - [ 0.0008752900000000, 0.0007921500000000, 0.0002183500000000 ] - [ -0.0000932100000000, -0.0002268000000000, 0.0005245000000000 ] - [ 0.0042877900000000, 0.0272751900000000, -0.0324529900000000 ] - [ 0.0002203900000000, -0.0012085600000000, 0.0000391800000000 ] - [ 0.0007023900000000, 0.0006847200000000, 0.0002127300000000 ] - [ 0.0032453400000000, 0.0025617600000000, -0.0011764700000000 ] - [ -0.0010743100000000, -0.0002747400000000, -0.0001364400000000 ] - [ -0.0003723500000000, 0.0006265700000000, 0.0000345800000000 ] - [ 0.0001260700000000, 0.0005115600000000, 0.0006158900000000 ] - [ -0.0007132000000000, 0.0012530400000000, -0.0002433600000000 ] - [ 0.0006975300000000, -0.0005758000000000, 0.0002408600000000 ] - [ -0.0002403000000000, 0.0004297900000000, -0.0000622800000000 ] - [ 0.0006914600000000, -0.0002505000000000, 0.0003700100000000 ] - [ 0.0001831000000000, -0.0009541200000000, 0.0010343900000000 ] - [ 0.0001957000000000, -0.0006986200000000, -0.0004863000000000 ] - [ 0.0002385200000000, 0.0000851600000000, -0.0002233100000000 ] - [ 0.0008667700000000, 0.0009233100000000, -0.0002245000000000 ] - [ 0.0003532300000000, 0.0000420000000000, -0.0003283900000000 ] - [ -0.0000265100000000, -0.0003556400000000, 0.0009707900000000 ] - [ -0.0003933200000000, 0.0004022600000000, 0.0000284500000000 ] - [ 0.0003518700000000, -0.0008159600000000, -0.0010255600000000 ] - [ -0.0008692800000000, -0.0002674400000000, -0.0003253300000000 ] - [ 0.0010954700000000, -0.0004682900000000, -0.0003521400000000 ] - [ 0.0000943800000000, 0.0003080400000000, -0.0000375600000000 ] - [ 0.0008784800000000, 0.0007580800000000, 0.0000769500000000 ] - [ 0.0013736500000000, -0.0004912900000000, -0.0001518400000000 ] - [ -0.0006335100000000, 0.0006842400000000, -0.0001710100000000 ] - [ -0.0005199100000000, 0.0002081000000000, -0.0001749100000000 ] - [ -0.0010856700000000, -0.0004514200000000, -0.0004738900000000 ] - [ -0.0001953000000000, 0.0008161100000000, -0.0001553600000000 ] - [ -0.0001265700000000, 0.0002350600000000, -0.0003456100000000 ] - [ -0.0006612500000000, 0.0007065800000000, 0.0004777700000000 ] - [ 0.0001542700000000, 0.0007383700000000, 0.0000416600000000 ] - [ 0.0002213500000000, 0.0003853800000000, 0.0002271900000000 ] - [ 0.0003018300000000, -0.0004213600000000, -0.0002628000000000 ] - [ 0.0005850400000000, 0.0005191100000000, 0.0006636900000000 ] - [ -0.0159660300000000, -0.0058156300000000, 0.0046615900000000 ] - [ -0.0011951500000000, -0.0018895900000000, -0.0010380700000000 ] - [ -0.0005293900000000, 0.0013902900000000, 0.0004828200000000 ] - [ 0.0003073600000000, -0.0009083900000000, 0.0005194600000000 ] - [ 0.0000278300000000, -0.0104189600000000, 0.0072893900000000 ] - [ -0.0003329600000000, 0.0010474200000000, 0.0002363200000000 ] - [ 0.0001497500000000, 0.0012619900000000, -0.0005357700000000 ] - [ -0.0000893200000000, 0.0017536400000000, 0.0009813000000000 ] - [ 0.0021952300000000, 0.0010892800000000, -0.0007469200000000 ] - [ 0.0020122800000000, 0.0008995300000000, 0.0014552100000000 ] - [ -0.0007331300000000, 0.0004041600000000, 0.0002397000000000 ] - [ 0.0013567000000000, -0.0017558200000000, -0.0000179600000000 ] - [ 0.0270247400000000, 0.0103160100000000, 0.0061470900000000 ] - [ 0.0010106100000000, -0.0017196500000000, 0.0012104200000000 ] - [ -0.0011737700000000, 0.0003269900000000, 0.0015708500000000 ] - [ 0.0100210500000000, 0.0000420400000000, -0.0149542300000000 ] - [ -0.0017339000000000, 0.0044562200000000, -0.0013330500000000 ] - [ -0.0005425800000000, 0.0007152700000000, 0.0006847100000000 ] - [ -0.0000349300000000, 0.0003830800000000, -0.0004331500000000 ] - [ 0.0002496900000000, 0.0008973700000000, -0.0003115200000000 ] - [ -0.0002385600000000, -0.0011593400000000, -0.0002697400000000 ] - [ 0.0004029500000000, 0.0011051900000000, -0.0005229700000000 ] - [ -0.0002112300000000, 0.0007812900000000, -0.0006798700000000 ] - [ -0.0012672800000000, 0.0008065000000000, -0.0008810500000000 ] - [ -0.0000867700000000, 0.0003724500000000, -0.0006679800000000 ] - [ -0.0005676200000000, -0.0000423400000000, 0.0000643300000000 ] - [ 0.0002936600000000, 0.0002504800000000, 0.0002048900000000 ]- atom: 42 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004508100000000, -0.0001979300000000, -0.0004201200000000 ] - [ 0.0013648500000000, 0.0001793800000000, 0.0008427800000000 ] - [ 0.0000505500000000, 0.0003598800000000, 0.0000513400000000 ] - [ 0.0001033700000000, 0.0020253600000000, -0.0004573400000000 ] - [ 0.0001946600000000, 0.0004455000000000, 0.0000315400000000 ] - [ 0.0020957500000000, -0.0038783500000000, -0.0000253800000000 ] - [ 0.0001011000000000, -0.0009612900000000, -0.0003166000000000 ] - [ -0.0005114500000000, 0.0008467500000000, 0.0008834100000000 ] - [ 0.0016777200000000, 0.0021238900000000, -0.0001024400000000 ] - [ -0.0023392100000000, -0.0011759500000000, -0.0022956900000000 ] - [ 0.0016008800000000, -0.0015906700000000, -0.0061400200000000 ] - [ -0.0018444100000000, 0.0030930100000000, 0.0004408800000000 ] - [ -0.0001858400000000, 0.0012164100000000, -0.0000002400000000 ] - [ -0.0003365500000000, 0.0015979300000000, -0.0002758300000000 ] - [ -0.0001757200000000, -0.0015495500000000, 0.0098643800000000 ] - [ -0.0001010700000000, 0.0004392800000000, 0.0001634500000000 ] - [ 0.0002449500000000, -0.0013367300000000, 0.0004387800000000 ] - [ -0.0006189800000000, -0.0003116900000000, -0.0005186800000000 ] - [ -0.0002203700000000, 0.0007821400000000, -0.0008253300000000 ] - [ -0.0102178100000000, -0.0485805200000000, 0.0257480100000000 ] - [ 0.0003867600000000, -0.0001776800000000, -0.0004468900000000 ] - [ 0.0057023600000000, 0.0102636600000000, -0.0095920600000000 ] - [ -0.0002041400000000, 0.0007338000000000, 0.0014278200000000 ] - [ 0.0007716800000000, -0.0021691700000000, 0.0008488700000000 ] - [ 0.0000049500000000, -0.0004877200000000, -0.0007342300000000 ] - [ 0.0005234800000000, 0.0012805600000000, 0.0006965700000000 ] - [ 0.0017931400000000, -0.0022693600000000, 0.0006706500000000 ] - [ -0.0009816900000000, -0.0031441600000000, 0.0003510000000000 ] - [ -0.0002967800000000, 0.0023411000000000, 0.0007741900000000 ] - [ -0.0008721000000000, 0.0011923200000000, -0.0005759500000000 ] - [ -0.0005159900000000, -0.0020009600000000, -0.0002369300000000 ] - [ -0.0003035400000000, 0.0016658900000000, -0.0000833100000000 ] - [ -0.0007290600000000, 0.0004818700000000, -0.0013201700000000 ] - [ 0.0025069600000000, 0.0015352500000000, 0.0008706300000000 ] - [ 0.0014277500000000, 0.0004985500000000, -0.0002854500000000 ] - [ -0.0001296100000000, 0.0010698000000000, -0.0005852500000000 ] - [ -0.0019542700000000, 0.0024729100000000, 0.0017367700000000 ] - [ -0.0315083100000000, -0.0569560000000000, 0.0076865100000000 ] - [ 0.0006734700000000, 0.0023191800000000, 0.0000654100000000 ] - [ 0.0000677800000000, 0.0008359200000000, -0.0006120700000000 ] - [ 0.0001757800000000, 0.0008557300000000, 0.0009196600000000 ] - [ 0.0712248400000000, 0.1151750900000000, -0.0680507200000000 ] - [ 0.0007706500000000, -0.0007189700000000, -0.0007677300000000 ] - [ -0.0010092800000000, 0.0007366600000000, -0.0002339700000000 ] - [ 0.0010571300000000, 0.0005768700000000, -0.0010662800000000 ] - [ -0.0003936800000000, -0.0002074100000000, 0.0004276100000000 ] - [ -0.0015780800000000, 0.0001442300000000, 0.0000390100000000 ] - [ 0.0003244300000000, 0.0000852500000000, 0.0002798600000000 ] - [ -0.0000076000000000, 0.0000449000000000, 0.0002804300000000 ] - [ -0.0001288100000000, 0.0002792100000000, -0.0006175600000000 ] - [ -0.0057148600000000, 0.0075369700000000, 0.0066241300000000 ] - [ 0.0002130300000000, -0.0002633400000000, 0.0004458200000000 ] - [ -0.0002359700000000, 0.0000996000000000, 0.0051978000000000 ] - [ -0.0000301400000000, -0.0008852000000000, 0.0000617500000000 ] - [ -0.0002306600000000, -0.0005978100000000, -0.0001056500000000 ] - [ -0.0002648300000000, 0.0013415800000000, 0.0000016100000000 ] - [ 0.0001049700000000, -0.0011635900000000, 0.0005887200000000 ] - [ 0.0001536000000000, -0.0005361100000000, -0.0000927600000000 ] - [ -0.0002543900000000, 0.0013158900000000, 0.0002237500000000 ] - [ -0.0045376900000000, -0.0265911400000000, 0.0311889700000000 ] - [ 0.0000142100000000, 0.0014033300000000, 0.0006874000000000 ] - [ 0.0002270600000000, 0.0000349900000000, -0.0003227000000000 ] - [ -0.0035683200000000, -0.0036326500000000, 0.0004270600000000 ] - [ 0.0001227300000000, -0.0000616800000000, -0.0001581900000000 ] - [ 0.0003114600000000, -0.0008058900000000, 0.0002909800000000 ] - [ -0.0006510600000000, -0.0013734800000000, -0.0005024500000000 ] - [ -0.0003150900000000, -0.0009944400000000, 0.0001172300000000 ] - [ -0.0003437700000000, -0.0005169600000000, 0.0005048500000000 ] - [ -0.0003011500000000, -0.0003955600000000, -0.0003422700000000 ] - [ -0.0006297400000000, 0.0004335400000000, -0.0000464400000000 ] - [ -0.0007239700000000, 0.0009238400000000, -0.0006355400000000 ] - [ 0.0000388000000000, 0.0004962100000000, -0.0002437500000000 ] - [ 0.0002889400000000, 0.0007795500000000, 0.0003401300000000 ] - [ 0.0000915200000000, -0.0005843300000000, -0.0000693100000000 ] - [ -0.0000006700000000, 0.0010497200000000, -0.0004176500000000 ] - [ 0.0000398700000000, 0.0004685200000000, -0.0011253200000000 ] - [ -0.0005345700000000, 0.0003144500000000, 0.0000828100000000 ] - [ 0.0001870500000000, 0.0007863700000000, 0.0006250000000000 ] - [ -0.0001587800000000, 0.0000120500000000, 0.0004535200000000 ] - [ -0.0000664800000000, 0.0002144400000000, 0.0002280400000000 ] - [ -0.0000975800000000, -0.0001906100000000, 0.0001807600000000 ] - [ 0.0003153600000000, -0.0003116400000000, 0.0002235000000000 ] - [ -0.0001776500000000, 0.0000469400000000, -0.0001485000000000 ] - [ -0.0005579600000000, -0.0002378800000000, -0.0001306600000000 ] - [ 0.0004538600000000, -0.0000326800000000, -0.0001484800000000 ] - [ -0.0001054700000000, 0.0000088500000000, 0.0007796600000000 ] - [ -0.0007342000000000, -0.0015305200000000, 0.0000432000000000 ] - [ 0.0010819500000000, -0.0005726300000000, 0.0006381200000000 ] - [ 0.0006631200000000, -0.0008223400000000, -0.0003423300000000 ] - [ -0.0003879800000000, -0.0009362200000000, 0.0006858500000000 ] - [ 0.0007064200000000, -0.0011023600000000, -0.0001161600000000 ] - [ 0.0002398800000000, 0.0004567300000000, 0.0006758000000000 ] - [ -0.0005880400000000, -0.0006329400000000, -0.0008056700000000 ] - [ 0.0150686200000000, 0.0060733200000000, -0.0043973900000000 ] - [ 0.0012540900000000, 0.0017100400000000, 0.0007163000000000 ] - [ 0.0000003500000000, -0.0005266500000000, -0.0005959000000000 ] - [ 0.0002325800000000, 0.0000496600000000, -0.0006176100000000 ] - [ 0.0009589700000000, 0.0106884900000000, -0.0070954000000000 ] - [ -0.0000149700000000, 0.0000418600000000, 0.0005084300000000 ] - [ -0.0003836100000000, -0.0010598100000000, -0.0001926600000000 ] - [ 0.0003218000000000, -0.0015497100000000, -0.0002545600000000 ] - [ -0.0012633000000000, -0.0003692600000000, 0.0006357400000000 ] - [ -0.0023562200000000, -0.0019859400000000, -0.0022023200000000 ] - [ -0.0002324900000000, -0.0007541700000000, -0.0005338100000000 ] - [ -0.0014176900000000, 0.0015789100000000, 0.0003382200000000 ] - [ -0.0280430300000000, -0.0113642300000000, -0.0062054000000000 ] - [ -0.0020287900000000, 0.0019764100000000, -0.0013350100000000 ] - [ 0.0015146400000000, -0.0014004200000000, -0.0008307700000000 ] - [ -0.0106973400000000, -0.0000339900000000, 0.0147577200000000 ] - [ 0.0017811300000000, -0.0042446100000000, 0.0016463100000000 ] - [ -0.0000026200000000, -0.0007486000000000, -0.0002771500000000 ] - [ 0.0002688000000000, -0.0005804000000000, -0.0002923600000000 ] - [ 0.0002766700000000, -0.0000330500000000, 0.0004247900000000 ] - [ 0.0011946900000000, 0.0014891800000000, -0.0000175800000000 ] - [ -0.0000557900000000, -0.0000158000000000, -0.0002213700000000 ] - [ 0.0002139300000000, -0.0006655600000000, 0.0005393500000000 ] - [ 0.0003363300000000, -0.0000876900000000, 0.0009942600000000 ] - [ 0.0006272800000000, -0.0004057800000000, 0.0002615200000000 ] - [ -0.0004608100000000, -0.0002140600000000, 0.0000602200000000 ] - [ 0.0007325200000000, -0.0005039200000000, -0.0003294500000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005282600000000, 0.0001905400000000, -0.0012901900000000 ] - [ -0.0000864400000000, -0.0003078800000000, 0.0021780500000000 ] - [ 0.0000269800000000, -0.0001767200000000, -0.0007465700000000 ] - [ 0.0001464400000000, 0.0014057900000000, 0.0008006700000000 ] - [ -0.0001825900000000, -0.0004859400000000, -0.0005000100000000 ] - [ 0.0078565200000000, -0.0081805200000000, -0.0009072800000000 ] - [ -0.0006755700000000, 0.0004509800000000, -0.0018542500000000 ] - [ 0.0050935700000000, -0.0086019700000000, 0.0008656700000000 ] - [ 0.0021441600000000, 0.0018810500000000, 0.0003537700000000 ] - [ -0.0013752100000000, 0.0009206600000000, -0.0052299600000000 ] - [ 0.0044186800000000, -0.0008416500000000, -0.0154302600000000 ] - [ -0.0020262200000000, 0.0023117000000000, 0.0013235000000000 ] - [ 0.0002380800000000, 0.0003017700000000, -0.0007181700000000 ] - [ 0.0002870300000000, 0.0011417200000000, 0.0018064100000000 ] - [ -0.0110602900000000, -0.0105895000000000, 0.0073687300000000 ] - [ -0.0001201600000000, -0.0002239000000000, -0.0009826000000000 ] - [ -0.0000627000000000, 0.0002910100000000, 0.0049837800000000 ] - [ -0.0004712600000000, -0.0008890400000000, -0.0048872100000000 ] - [ -0.0000041600000000, 0.0001476800000000, -0.0018695800000000 ] - [ -0.0241832100000000, -0.0249183900000000, 0.1882691200000000 ] - [ 0.0006306600000000, -0.0012578500000000, -0.0016804300000000 ] - [ 0.0042251600000000, 0.0116303600000000, -0.0085764600000000 ] - [ -0.0010666000000000, -0.0030842600000000, 0.0003573900000000 ] - [ 0.0023120800000000, -0.0028386700000000, -0.0023074000000000 ] - [ 0.0000028700000000, -0.0001699400000000, 0.0035220000000000 ] - [ 0.0004112600000000, 0.0001537900000000, 0.0015183900000000 ] - [ 0.0014021000000000, 0.0009644100000000, -0.0001719300000000 ] - [ -0.0019233900000000, -0.0038088900000000, -0.0051296800000000 ] - [ -0.0007219600000000, -0.0012706100000000, 0.0019750500000000 ] - [ -0.0013962300000000, 0.0012230200000000, -0.0013963300000000 ] - [ -0.0028344900000000, -0.0005788900000000, -0.0062014600000000 ] - [ -0.0001778200000000, 0.0000323400000000, 0.0006266600000000 ] - [ -0.0021493800000000, 0.0012977800000000, -0.0043300000000000 ] - [ 0.0007800200000000, -0.0007714900000000, 0.0005328400000000 ] - [ 0.0034251300000000, 0.0012976600000000, 0.0007497000000000 ] - [ -0.0002403600000000, 0.0007994900000000, -0.0004191400000000 ] - [ -0.0002764600000000, -0.0035472500000000, 0.0024968600000000 ] - [ -0.0052814400000000, -0.0048631800000000, 0.0522925400000000 ] - [ 0.0004598600000000, -0.0000078200000000, -0.0002974200000000 ] - [ 0.0000952200000000, 0.0007616100000000, -0.0015888900000000 ] - [ -0.0000397900000000, 0.0013780800000000, 0.0035127100000000 ] - [ 0.0864335400000000, 0.0666057000000000, -0.3043872100000000 ] - [ 0.0005640200000000, 0.0003947800000000, -0.0008277100000000 ] - [ -0.0006717000000000, 0.0001389200000000, 0.0006381800000000 ] - [ 0.0001569800000000, 0.0031003800000000, -0.0007758100000000 ] - [ -0.0000413800000000, 0.0000538500000000, 0.0011779100000000 ] - [ -0.0028038200000000, -0.0005893400000000, 0.0006615300000000 ] - [ 0.0001431300000000, 0.0005529500000000, 0.0011908900000000 ] - [ -0.0014709700000000, 0.0015899900000000, -0.0029715900000000 ] - [ 0.0004927900000000, 0.0020859800000000, 0.0014718300000000 ] - [ -0.0153397000000000, -0.0010789300000000, 0.0140390400000000 ] - [ 0.0001904700000000, 0.0000546200000000, 0.0012477800000000 ] - [ -0.0000101400000000, -0.0015278000000000, 0.0040680900000000 ] - [ -0.0003393800000000, -0.0002533100000000, -0.0003059300000000 ] - [ -0.0001903100000000, -0.0004128100000000, 0.0001118500000000 ] - [ 0.0008070600000000, -0.0001077400000000, -0.0012389800000000 ] - [ -0.0000039700000000, -0.0010826400000000, 0.0008372700000000 ] - [ 0.0002351900000000, -0.0001108000000000, -0.0002035900000000 ] - [ 0.0005530900000000, 0.0009667000000000, 0.0017850700000000 ] - [ -0.0030897100000000, -0.0227322500000000, 0.0160321400000000 ] - [ 0.0000744600000000, -0.0008180900000000, -0.0003851700000000 ] - [ 0.0011483700000000, 0.0010418200000000, 0.0000715300000000 ] - [ -0.0034439500000000, -0.0040205600000000, 0.0000694400000000 ] - [ -0.0002007200000000, -0.0005736800000000, -0.0012436600000000 ] - [ 0.0003263300000000, -0.0005075500000000, 0.0003358200000000 ] - [ -0.0006237700000000, -0.0009462900000000, -0.0009719600000000 ] - [ -0.0005960300000000, -0.0003808800000000, -0.0000521400000000 ] - [ -0.0007419900000000, -0.0005483200000000, -0.0003163500000000 ] - [ -0.0002435400000000, 0.0000802900000000, -0.0008692100000000 ] - [ -0.0007719100000000, 0.0009565900000000, 0.0000342100000000 ] - [ -0.0016319200000000, 0.0013878400000000, -0.0036447600000000 ] - [ -0.0000479100000000, 0.0015911900000000, 0.0008331300000000 ] - [ 0.0002134600000000, 0.0001505700000000, 0.0023955900000000 ] - [ 0.0002018100000000, -0.0001439900000000, 0.0002646200000000 ] - [ -0.0007522600000000, 0.0007547300000000, 0.0003546600000000 ] - [ -0.0013267300000000, 0.0011689700000000, 0.0008250700000000 ] - [ -0.0006968700000000, 0.0006471500000000, 0.0003767000000000 ] - [ -0.0005229000000000, 0.0017046000000000, 0.0035429900000000 ] - [ 0.0000891700000000, -0.0005970500000000, 0.0014797700000000 ] - [ -0.0004883100000000, 0.0000529900000000, 0.0003627400000000 ] - [ -0.0002188300000000, 0.0000472100000000, 0.0010308800000000 ] - [ 0.0005919700000000, 0.0001511000000000, -0.0003846700000000 ] - [ -0.0005540700000000, -0.0002245900000000, -0.0013345500000000 ] - [ -0.0008738500000000, 0.0002437900000000, 0.0004484900000000 ] - [ 0.0004686300000000, 0.0001946400000000, -0.0009344700000000 ] - [ 0.0006490400000000, 0.0004014500000000, 0.0028476500000000 ] - [ -0.0003250100000000, -0.0007479500000000, -0.0000726800000000 ] - [ 0.0012507300000000, -0.0010300800000000, 0.0011106800000000 ] - [ 0.0001393800000000, 0.0006176000000000, -0.0022163500000000 ] - [ -0.0007617400000000, -0.0015644400000000, 0.0007040800000000 ] - [ 0.0004884400000000, -0.0005132300000000, -0.0002643800000000 ] - [ 0.0001754600000000, 0.0005548500000000, 0.0040552200000000 ] - [ -0.0001368800000000, 0.0001630400000000, 0.0000906300000000 ] - [ -0.0223606000000000, 0.0102960700000000, -0.0051721800000000 ] - [ 0.0015117700000000, 0.0020162700000000, 0.0027733700000000 ] - [ -0.0001438900000000, 0.0005705900000000, -0.0004410200000000 ] - [ 0.0028631800000000, 0.0004663800000000, 0.0034757100000000 ] - [ 0.0091268900000000, 0.0044823700000000, 0.0293784100000000 ] - [ -0.0001576700000000, 0.0002079900000000, 0.0007094100000000 ] - [ -0.0001983600000000, 0.0003951000000000, -0.0007252500000000 ] - [ 0.0000748700000000, 0.0008795300000000, 0.0005634700000000 ] - [ -0.0038369700000000, -0.0019263600000000, 0.0012266900000000 ] - [ -0.0004365900000000, -0.0004431500000000, -0.0013395400000000 ] - [ 0.0002165800000000, 0.0023167000000000, -0.0007360700000000 ] - [ -0.0027495600000000, 0.0020122900000000, 0.0020058900000000 ] - [ 0.0003301600000000, -0.0005225300000000, -0.0164010400000000 ] - [ 0.0007992500000000, 0.0003019000000000, -0.0011634000000000 ] - [ 0.0001874700000000, 0.0021155800000000, -0.0008826500000000 ] - [ -0.0264720900000000, -0.0157635800000000, 0.0299120100000000 ] - [ 0.0021280100000000, -0.0041582600000000, 0.0011564900000000 ] - [ 0.0000672300000000, 0.0001298800000000, -0.0015949300000000 ] - [ 0.0004778700000000, -0.0007994800000000, 0.0000018100000000 ] - [ 0.0002998200000000, 0.0000802100000000, 0.0009376800000000 ] - [ 0.0014578300000000, 0.0002431000000000, 0.0023331800000000 ] - [ 0.0000382500000000, 0.0002572000000000, -0.0001157500000000 ] - [ 0.0003577900000000, -0.0006754200000000, -0.0000862000000000 ] - [ 0.0014054200000000, -0.0010923900000000, 0.0028103200000000 ] - [ 0.0007475000000000, -0.0002142400000000, 0.0006034000000000 ] - [ -0.0005583700000000, 0.0001267100000000, 0.0004271000000000 ] - [ 0.0002226000000000, 0.0005884500000000, 0.0002301300000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003811300000000, -0.0001930200000000, 0.0013025300000000 ] - [ -0.0000743800000000, 0.0003098100000000, -0.0022001700000000 ] - [ 0.0001289300000000, 0.0001778400000000, 0.0007499000000000 ] - [ -0.0003006800000000, -0.0014340700000000, -0.0007937300000000 ] - [ 0.0001804900000000, -0.0003533000000000, 0.0005058000000000 ] - [ -0.0079499100000000, 0.0091280100000000, 0.0009179000000000 ] - [ 0.0006677300000000, -0.0000596500000000, 0.0018717300000000 ] - [ -0.0039862300000000, 0.0087444700000000, -0.0008768700000000 ] - [ -0.0021727300000000, -0.0022996100000000, -0.0003572000000000 ] - [ 0.0002173800000000, -0.0009307800000000, 0.0052787800000000 ] - [ -0.0044329800000000, 0.0000022500000000, 0.0155343700000000 ] - [ 0.0020526400000000, -0.0015003400000000, -0.0013390000000000 ] - [ -0.0002365000000000, 0.0000861900000000, 0.0007286300000000 ] - [ 0.0008913300000000, -0.0011531000000000, -0.0018116300000000 ] - [ 0.0111843000000000, 0.0103234900000000, -0.0075888500000000 ] - [ -0.0010611900000000, 0.0002263200000000, 0.0009844500000000 ] - [ 0.0007326400000000, 0.0005719900000000, -0.0055087900000000 ] - [ -0.0002099900000000, 0.0017605900000000, 0.0054149100000000 ] - [ -0.0006748600000000, -0.0010125600000000, 0.0013956200000000 ] - [ 0.0266350000000000, 0.0284750600000000, -0.2018635100000000 ] - [ 0.0001250200000000, 0.0014232500000000, 0.0012309400000000 ] - [ -0.0042838700000000, -0.0111697900000000, 0.0088597700000000 ] - [ 0.0003118200000000, 0.0032428700000000, 0.0001117300000000 ] - [ -0.0023287900000000, 0.0022682300000000, 0.0025142700000000 ] - [ 0.0000014500000000, 0.0007648700000000, -0.0037262800000000 ] - [ 0.0002599100000000, -0.0010194200000000, -0.0010391900000000 ] - [ -0.0006667100000000, -0.0011134100000000, 0.0006266100000000 ] - [ 0.0019302500000000, 0.0032463000000000, 0.0049888000000000 ] - [ 0.0014219700000000, 0.0021411500000000, -0.0024805400000000 ] - [ 0.0007336600000000, -0.0003783200000000, 0.0018971700000000 ] - [ 0.0021897200000000, -0.0002654200000000, 0.0057558500000000 ] - [ -0.0005847900000000, -0.0001972200000000, -0.0010983500000000 ] - [ 0.0029213500000000, -0.0011476500000000, 0.0038928800000000 ] - [ -0.0008261600000000, 0.0013504400000000, -0.0003862000000000 ] - [ -0.0042121300000000, -0.0011573100000000, -0.0002711400000000 ] - [ 0.0002492900000000, -0.0013890700000000, 0.0005946700000000 ] - [ 0.0003076000000000, 0.0041501000000000, -0.0026938200000000 ] - [ 0.0050422500000000, 0.0037289400000000, -0.0514792900000000 ] - [ 0.0002985000000000, -0.0001558100000000, 0.0007653400000000 ] - [ -0.0001030000000000, -0.0013536700000000, 0.0014402300000000 ] - [ 0.0000371400000000, -0.0012699700000000, -0.0033935100000000 ] - [ -0.0879279500000000, -0.0698327100000000, 0.3188879100000000 ] - [ 0.0006218800000000, -0.0008404700000000, 0.0005293500000000 ] - [ -0.0005199400000000, 0.0003058200000000, -0.0009369000000000 ] - [ -0.0002301600000000, -0.0029544800000000, 0.0004641700000000 ] - [ -0.0011560000000000, -0.0005013200000000, -0.0008854400000000 ] - [ 0.0019065700000000, -0.0001268200000000, -0.0007792900000000 ] - [ 0.0008215600000000, -0.0009012700000000, -0.0009040000000000 ] - [ 0.0014918400000000, -0.0017278900000000, 0.0031501200000000 ] - [ -0.0007312200000000, -0.0022872400000000, -0.0007477500000000 ] - [ 0.0168316200000000, 0.0003758100000000, -0.0143697400000000 ] - [ 0.0003526100000000, -0.0000200300000000, -0.0008502800000000 ] - [ 0.0000082100000000, 0.0014217200000000, -0.0042578900000000 ] - [ -0.0006191900000000, 0.0005961000000000, 0.0006027400000000 ] - [ 0.0002544800000000, 0.0002361600000000, -0.0004386900000000 ] - [ -0.0013352500000000, 0.0009731700000000, 0.0011315500000000 ] - [ 0.0005347400000000, 0.0002261000000000, -0.0009576600000000 ] - [ 0.0007974500000000, 0.0003714100000000, 0.0003332700000000 ] - [ -0.0008988300000000, 0.0001185900000000, -0.0010456700000000 ] - [ 0.0028518000000000, 0.0234247600000000, -0.0170516800000000 ] - [ 0.0001621300000000, 0.0010204900000000, 0.0011219700000000 ] - [ -0.0002210500000000, -0.0003251800000000, -0.0001830700000000 ] - [ 0.0031460600000000, 0.0029799200000000, -0.0008221000000000 ] - [ -0.0007586100000000, 0.0002384700000000, 0.0009569300000000 ] - [ -0.0003899700000000, 0.0003312100000000, -0.0000126700000000 ] - [ 0.0001020600000000, 0.0000888300000000, 0.0010956200000000 ] - [ -0.0004313100000000, 0.0006448700000000, -0.0000717000000000 ] - [ 0.0011019700000000, -0.0005423600000000, 0.0010692400000000 ] - [ -0.0002974800000000, -0.0000460700000000, 0.0004684600000000 ] - [ 0.0008506100000000, -0.0007885900000000, 0.0002951000000000 ] - [ 0.0011079900000000, -0.0014384800000000, 0.0040870100000000 ] - [ 0.0002827600000000, -0.0018051400000000, -0.0015729500000000 ] - [ 0.0003166400000000, 0.0007152100000000, -0.0023008800000000 ] - [ 0.0007597800000000, 0.0004859000000000, -0.0005598700000000 ] - [ 0.0011106600000000, 0.0003354300000000, -0.0011079100000000 ] - [ 0.0013526900000000, -0.0010644900000000, -0.0009936100000000 ] - [ -0.0002302600000000, 0.0000677700000000, -0.0002682700000000 ] - [ 0.0010726800000000, -0.0017565100000000, -0.0039793400000000 ] - [ -0.0011181200000000, 0.0003436400000000, -0.0013650200000000 ] - [ 0.0015237100000000, -0.0003094300000000, -0.0004939600000000 ] - [ 0.0002175400000000, 0.0000687000000000, -0.0008945400000000 ] - [ 0.0006032600000000, 0.0002973900000000, 0.0006894300000000 ] - [ 0.0017618600000000, -0.0002210000000000, 0.0010365100000000 ] - [ -0.0003162000000000, 0.0002029400000000, -0.0007521900000000 ] - [ -0.0005372100000000, -0.0000176400000000, 0.0006195300000000 ] - [ -0.0018481700000000, -0.0008521300000000, -0.0025650500000000 ] - [ -0.0006064000000000, 0.0000378800000000, -0.0000371200000000 ] - [ -0.0003040600000000, 0.0007040300000000, -0.0008250600000000 ] - [ -0.0001449400000000, -0.0007361200000000, 0.0023796700000000 ] - [ 0.0005308000000000, 0.0013753700000000, 0.0000178800000000 ] - [ 0.0004394100000000, -0.0001990300000000, 0.0003804400000000 ] - [ 0.0003639200000000, -0.0005261300000000, -0.0036772800000000 ] - [ 0.0001423500000000, -0.0002749500000000, -0.0002213300000000 ] - [ 0.0216405700000000, -0.0101136600000000, 0.0052855200000000 ] - [ -0.0014615800000000, -0.0022106400000000, -0.0031174800000000 ] - [ -0.0003873100000000, 0.0002944200000000, 0.0003301300000000 ] - [ -0.0023609900000000, -0.0013473600000000, -0.0036116800000000 ] - [ -0.0084481300000000, -0.0044098900000000, -0.0302306400000000 ] - [ -0.0001890200000000, 0.0008837100000000, 0.0000311200000000 ] - [ -0.0000313900000000, -0.0001895600000000, 0.0000010900000000 ] - [ 0.0001569900000000, -0.0006779700000000, 0.0001664100000000 ] - [ 0.0047881000000000, 0.0026518800000000, -0.0013496300000000 ] - [ 0.0001205400000000, -0.0006284500000000, 0.0006314700000000 ] - [ -0.0011876900000000, -0.0026892500000000, 0.0004471800000000 ] - [ 0.0027017100000000, -0.0021990900000000, -0.0017039500000000 ] - [ -0.0005574800000000, -0.0001278000000000, 0.0166376600000000 ] - [ -0.0018288300000000, -0.0000641400000000, 0.0010707200000000 ] - [ 0.0001425600000000, -0.0032249300000000, 0.0016542000000000 ] - [ 0.0255895500000000, 0.0154712500000000, -0.0299578800000000 ] - [ -0.0021001200000000, 0.0044058300000000, -0.0008507100000000 ] - [ -0.0006154500000000, -0.0001633700000000, 0.0020179200000000 ] - [ -0.0002456600000000, 0.0005997600000000, -0.0007333500000000 ] - [ 0.0002260500000000, 0.0007878200000000, -0.0008315200000000 ] - [ -0.0005149100000000, 0.0000883700000000, -0.0026473500000000 ] - [ 0.0003086100000000, 0.0008335100000000, -0.0006318100000000 ] - [ -0.0003583700000000, 0.0007979500000000, -0.0000613800000000 ] - [ -0.0023451400000000, 0.0018149500000000, -0.0027127200000000 ] - [ -0.0002114900000000, 0.0001837900000000, -0.0010129400000000 ] - [ -0.0004685400000000, -0.0003841700000000, -0.0003064500000000 ] - [ 0.0008037500000000, -0.0008437800000000, -0.0003567900000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000927000000000, -0.0007558500000000, 0.0001410600000000 ] - [ 0.0001094500000000, -0.0009252000000000, -0.0001948200000000 ] - [ -0.0009985600000000, -0.0004269500000000, -0.0016557300000000 ] - [ -0.0019651400000000, -0.0001580100000000, 0.0013842900000000 ] - [ 0.0004570600000000, -0.0006499100000000, -0.0000350600000000 ] - [ 0.0286267700000000, 0.0206025200000000, -0.0080630700000000 ] - [ 0.0004080200000000, -0.0002692900000000, -0.0004877300000000 ] - [ -0.0004459200000000, -0.0003058900000000, -0.0000834700000000 ] - [ 0.0017333200000000, -0.0016355600000000, 0.0000898400000000 ] - [ -0.0001431900000000, -0.0002566400000000, -0.0001846100000000 ] - [ -0.0004601400000000, -0.0004421600000000, 0.0001794700000000 ] - [ -0.0018826100000000, -0.0014621500000000, 0.0002721300000000 ] - [ -0.0004477300000000, -0.0000405400000000, 0.0001319600000000 ] - [ 0.0119757100000000, 0.0043045300000000, 0.0062371400000000 ] - [ -0.0133639700000000, 0.0117978100000000, 0.0007610000000000 ] - [ -0.0005389400000000, 0.0026098000000000, 0.0016986300000000 ] - [ 0.0005814600000000, 0.0042594100000000, -0.0128601800000000 ] - [ 0.0008878700000000, 0.0041425900000000, 0.0076943700000000 ] - [ 0.0027097700000000, -0.0006499800000000, -0.0014095600000000 ] - [ 0.0099462800000000, 0.0030008000000000, 0.0005471100000000 ] - [ 0.0002241000000000, -0.0006024800000000, -0.0003578700000000 ] - [ 0.0005036500000000, -0.0013069400000000, 0.0001571800000000 ] - [ -0.0001269200000000, -0.0007435500000000, 0.0005399400000000 ] - [ -0.0010535100000000, -0.0009504400000000, -0.0000299900000000 ] - [ -0.0003479500000000, -0.0010910300000000, -0.0002884700000000 ] - [ 0.0015743400000000, -0.0012375400000000, 0.0002144000000000 ] - [ -0.0041379200000000, -0.0013747000000000, 0.0013212900000000 ] - [ 0.0010624100000000, -0.0009035800000000, -0.0000319800000000 ] - [ 0.0000962000000000, -0.0008181100000000, 0.0006034800000000 ] - [ -0.0007342900000000, -0.0003039800000000, -0.0001574600000000 ] - [ -0.0025054800000000, 0.0017861600000000, -0.0015659700000000 ] - [ -0.0020184900000000, 0.0034226200000000, -0.0005501400000000 ] - [ 0.0016876400000000, 0.0019006500000000, 0.0005041800000000 ] - [ -0.0142777000000000, 0.0108811400000000, -0.0027557900000000 ] - [ -0.0021898000000000, 0.0015163100000000, -0.0017166200000000 ] - [ 0.0006345000000000, -0.0005247500000000, 0.0019950100000000 ] - [ 0.2566242200000000, 0.1854878900000000, 0.0133689300000000 ] - [ 0.0010159900000000, 0.0027399000000000, 0.0025091600000000 ] - [ 0.0002186400000000, -0.0089790000000000, -0.0017152100000000 ] - [ -0.0006190000000000, 0.0009874000000000, -0.0001540500000000 ] - [ -0.0003308100000000, 0.0003067500000000, 0.0001913000000000 ] - [ -0.0011192400000000, -0.0008638900000000, 0.0003431200000000 ] - [ 0.0003735700000000, 0.0001200100000000, -0.0005100400000000 ] - [ 0.0013227400000000, -0.0004349000000000, -0.0009634000000000 ] - [ -0.3430659900000000, -0.2737138700000000, 0.0026093700000000 ] - [ -0.0003154200000000, 0.0000396500000000, 0.0003739300000000 ] - [ 0.0025569500000000, 0.0019380900000000, -0.0011243200000000 ] - [ 0.0007321400000000, -0.0017423400000000, -0.0013141600000000 ] - [ 0.0003463600000000, 0.0003986200000000, 0.0000934100000000 ] - [ -0.0002777600000000, 0.0004768000000000, 0.0001458400000000 ] - [ -0.0067802200000000, 0.0055349000000000, 0.0011202600000000 ] - [ -0.0001920300000000, 0.0001616800000000, 0.0006991300000000 ] - [ -0.0003160800000000, 0.0003367500000000, 0.0000927000000000 ] - [ -0.0026517700000000, 0.0009984400000000, -0.0004098000000000 ] - [ -0.0001835100000000, -0.0004925600000000, -0.0001743000000000 ] - [ -0.0009656400000000, 0.0010991600000000, 0.0033138900000000 ] - [ -0.0004362500000000, 0.0000505000000000, 0.0000861100000000 ] - [ 0.0001759900000000, -0.0005839200000000, -0.0000145200000000 ] - [ -0.0009783900000000, 0.0010957500000000, 0.0004739400000000 ] - [ -0.0016986000000000, 0.0005313700000000, -0.0006815600000000 ] - [ 0.0007782200000000, 0.0010874800000000, 0.0005065900000000 ] - [ 0.0003754400000000, 0.0006354600000000, -0.0000452800000000 ] - [ -0.0002779500000000, 0.0002475600000000, -0.0003979500000000 ] - [ -0.0026847100000000, -0.0037533600000000, 0.0041165500000000 ] - [ -0.0004372600000000, 0.0002200500000000, -0.0001508100000000 ] - [ -0.0006447900000000, -0.0000611800000000, -0.0000808500000000 ] - [ -0.0021607600000000, 0.0026482000000000, -0.0003114400000000 ] - [ -0.0000022500000000, -0.0000716500000000, 0.0003823300000000 ] - [ -0.0004704400000000, 0.0003111200000000, -0.0004340600000000 ] - [ 0.0267675000000000, -0.0058108100000000, -0.0064633600000000 ] - [ 0.0085571100000000, 0.0053830100000000, 0.0133904900000000 ] - [ 0.0002673300000000, 0.0004532600000000, -0.0001657800000000 ] - [ 0.0005842000000000, 0.0008331800000000, -0.0029274200000000 ] - [ -0.0007733600000000, -0.0010681700000000, -0.0000076700000000 ] - [ 0.0008855900000000, 0.0011306600000000, -0.0003491200000000 ] - [ 0.0003999300000000, 0.0003259400000000, -0.0001321300000000 ] - [ -0.0005142600000000, 0.0005856600000000, 0.0000527400000000 ] - [ -0.0013781300000000, 0.0034528400000000, -0.0134380600000000 ] - [ -0.0014400900000000, -0.0008202500000000, 0.0002143300000000 ] - [ 0.0010949000000000, -0.0005351600000000, 0.0002815500000000 ] - [ 0.0004495900000000, -0.0004787400000000, -0.0002968400000000 ] - [ 0.0002331800000000, -0.0002672800000000, 0.0006561700000000 ] - [ 0.0024124100000000, -0.0016135900000000, 0.0025796700000000 ] - [ -0.0022384400000000, 0.0019934300000000, 0.0019758200000000 ] - [ 0.0004883500000000, 0.0007204800000000, -0.0001638200000000 ] - [ -0.0024262200000000, -0.0014473100000000, -0.0013332100000000 ] - [ 0.0003403400000000, 0.0020004000000000, 0.0003139200000000 ] - [ 0.0003910600000000, 0.0001729300000000, 0.0002125000000000 ] - [ 0.0008071400000000, 0.0208390800000000, -0.0138670800000000 ] - [ 0.0001777200000000, -0.0012868400000000, 0.0009147700000000 ] - [ 0.0021013200000000, -0.0009388600000000, -0.0001055900000000 ] - [ 0.0006251800000000, -0.0002304500000000, 0.0009596200000000 ] - [ 0.0021712800000000, -0.0028234500000000, -0.0016083500000000 ] - [ 0.0000504400000000, -0.0009529300000000, -0.0001351500000000 ] - [ -0.0002675800000000, -0.0001683400000000, -0.0002287500000000 ] - [ -0.0001460900000000, 0.0007868800000000, -0.0003995200000000 ] - [ 0.0022826000000000, -0.0026953700000000, 0.0022197200000000 ] - [ -0.0012939700000000, -0.0046577200000000, -0.0008710100000000 ] - [ 0.0004318400000000, 0.0001934400000000, 0.0002163700000000 ] - [ 0.0017552700000000, -0.0032162900000000, 0.0005927500000000 ] - [ -0.0029473300000000, 0.0108655900000000, 0.0035775200000000 ] - [ 0.0015401900000000, 0.0002609000000000, 0.0002329200000000 ] - [ 0.0099102700000000, -0.0008436700000000, 0.0010092700000000 ] - [ -0.0000376100000000, 0.0004770100000000, -0.0002688700000000 ] - [ 0.0003815000000000, -0.0001260300000000, 0.0001981600000000 ] - [ 0.0008308500000000, -0.0030292200000000, -0.0025005300000000 ] - [ 0.0016353300000000, -0.0003731600000000, 0.0000321200000000 ] - [ 0.0325005500000000, 0.0117115600000000, 0.0072202800000000 ] - [ -0.0003378600000000, -0.0003507100000000, -0.0012254100000000 ] - [ -0.0002563800000000, 0.0011232600000000, 0.0001692100000000 ] - [ 0.0001294500000000, 0.0007163300000000, -0.0002612900000000 ] - [ -0.0001856700000000, -0.0012918300000000, -0.0011694100000000 ] - [ 0.0004737600000000, 0.0007292200000000, 0.0001863700000000 ] - [ 0.0005972100000000, -0.0003561500000000, 0.0001543900000000 ] - [ 0.0002060600000000, 0.0006551900000000, -0.0005947700000000 ] - [ -0.0005627600000000, 0.0001501700000000, -0.0028295300000000 ] - [ -0.0009886000000000, 0.0000420100000000, -0.0000906000000000 ] - [ 0.0006534900000000, 0.0003802300000000, 0.0001501600000000 ] - [ -0.0003052700000000, 0.0000989200000000, 0.0000155700000000 ] - [ 0.0003822800000000, 0.0001548600000000, -0.0000818500000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000633000000000, 0.0007547000000000, -0.0001408500000000 ] - [ -0.0002619900000000, 0.0009222800000000, 0.0001950000000000 ] - [ 0.0011477400000000, 0.0004364900000000, 0.0016662300000000 ] - [ 0.0018031200000000, 0.0001629500000000, -0.0013894100000000 ] - [ -0.0004528300000000, -0.0001879500000000, 0.0000318800000000 ] - [ -0.0273136800000000, -0.0177380700000000, 0.0074594400000000 ] - [ -0.0004040300000000, 0.0006591500000000, 0.0004794400000000 ] - [ 0.0016164800000000, 0.0003000700000000, 0.0000819300000000 ] - [ -0.0017156400000000, 0.0012356300000000, -0.0000867900000000 ] - [ -0.0010348000000000, 0.0002497400000000, 0.0001831900000000 ] - [ 0.0004553400000000, -0.0003969300000000, -0.0001757300000000 ] - [ 0.0018639500000000, 0.0022933500000000, -0.0002678600000000 ] - [ 0.0004444000000000, 0.0004326700000000, -0.0001304300000000 ] - [ -0.0107618500000000, -0.0043298300000000, -0.0061795700000000 ] - [ 0.0133968100000000, -0.0122853200000000, -0.0007768000000000 ] - [ -0.0006107800000000, -0.0026016800000000, -0.0016825800000000 ] - [ 0.0001289400000000, -0.0033675500000000, 0.0123298800000000 ] - [ -0.0015600100000000, -0.0033111400000000, -0.0072467700000000 ] - [ -0.0033553400000000, -0.0002102200000000, 0.0009093700000000 ] - [ -0.0107309000000000, -0.0031193200000000, -0.0010171300000000 ] - [ 0.0005362900000000, 0.0007519900000000, -0.0001078400000000 ] - [ -0.0005122800000000, 0.0018809800000000, 0.0000068000000000 ] - [ -0.0006326300000000, 0.0008929100000000, -0.0000733700000000 ] - [ 0.0010604600000000, 0.0003629300000000, 0.0001924200000000 ] - [ 0.0003562800000000, 0.0016634500000000, 0.0001218600000000 ] - [ -0.0008863300000000, 0.0003808400000000, 0.0002729600000000 ] - [ 0.0048927600000000, 0.0012000700000000, -0.0008516700000000 ] - [ -0.0010696400000000, 0.0003169000000000, -0.0001307400000000 ] - [ 0.0005758200000000, 0.0016697800000000, -0.0010854500000000 ] - [ 0.0000572300000000, 0.0011593200000000, 0.0006412900000000 ] - [ 0.0018269900000000, -0.0026616500000000, 0.0010946600000000 ] - [ 0.0012603800000000, -0.0035433200000000, 0.0000815200000000 ] - [ -0.0009356300000000, -0.0017456700000000, -0.0009726700000000 ] - [ 0.0142657700000000, -0.0102230800000000, 0.0029051500000000 ] - [ 0.0014321200000000, -0.0013611600000000, 0.0021751700000000 ] - [ -0.0006316200000000, -0.0000618100000000, -0.0018225300000000 ] - [ -0.2658488400000000, -0.1962290100000000, -0.0147734000000000 ] - [ -0.0003620800000000, -0.0036090700000000, -0.0020286800000000 ] - [ 0.0005250700000000, 0.0087040900000000, 0.0021890700000000 ] - [ 0.0006152700000000, -0.0015636100000000, -0.0000065900000000 ] - [ 0.0003286500000000, -0.0001897400000000, -0.0000485000000000 ] - [ 0.0023222200000000, 0.0013081300000000, -0.0000435000000000 ] - [ 0.0008180800000000, -0.0005643100000000, 0.0002079300000000 ] - [ -0.0025170300000000, 0.0008864400000000, 0.0006587500000000 ] - [ 0.3509706500000000, 0.2835307400000000, -0.0010280600000000 ] - [ -0.0008763200000000, -0.0004844000000000, -0.0000720900000000 ] - [ -0.0034818600000000, -0.0026427200000000, 0.0010056400000000 ] - [ 0.0002135000000000, 0.0014145700000000, 0.0016083100000000 ] - [ -0.0003432600000000, -0.0005118400000000, 0.0000492000000000 ] - [ 0.0000437300000000, -0.0006742300000000, 0.0005805400000000 ] - [ 0.0076741100000000, -0.0062794100000000, -0.0010122100000000 ] - [ 0.0007293500000000, -0.0001265800000000, -0.0002862900000000 ] - [ 0.0003141400000000, -0.0004502600000000, -0.0002324100000000 ] - [ 0.0016872700000000, -0.0006587300000000, 0.0007020400000000 ] - [ 0.0002416900000000, 0.0003090400000000, -0.0001507000000000 ] - [ 0.0004302600000000, -0.0002342400000000, -0.0034131800000000 ] - [ 0.0009560900000000, -0.0009107100000000, -0.0001992100000000 ] - [ 0.0008435200000000, 0.0008301500000000, 0.0001378700000000 ] - [ 0.0006300600000000, -0.0000063400000000, 0.0002718700000000 ] - [ 0.0014636700000000, -0.0003232600000000, -0.0000451900000000 ] - [ -0.0005433000000000, -0.0008768100000000, 0.0002230500000000 ] - [ 0.0005536000000000, 0.0000832200000000, -0.0000653400000000 ] - [ -0.0000689900000000, -0.0013320500000000, -0.0003464800000000 ] - [ 0.0016928800000000, 0.0034008700000000, -0.0044026400000000 ] - [ 0.0003748600000000, -0.0003988400000000, 0.0004750100000000 ] - [ 0.0001134100000000, -0.0008029700000000, 0.0001915100000000 ] - [ 0.0011211500000000, -0.0023700000000000, 0.0001819000000000 ] - [ 0.0003458400000000, -0.0010144700000000, 0.0003618500000000 ] - [ -0.0000738500000000, -0.0002775100000000, 0.0000283800000000 ] - [ -0.0263213300000000, 0.0059826100000000, 0.0066348300000000 ] - [ -0.0089771300000000, -0.0053171100000000, -0.0128480500000000 ] - [ -0.0000339900000000, -0.0006503500000000, -0.0005609400000000 ] - [ -0.0000580100000000, 0.0000300000000000, 0.0030565100000000 ] - [ 0.0017171300000000, 0.0013970200000000, -0.0002836900000000 ] - [ -0.0005386500000000, -0.0000410500000000, -0.0003946500000000 ] - [ -0.0003971000000000, -0.0002081700000000, -0.0000096600000000 ] - [ -0.0004176100000000, 0.0001329300000000, 0.0000588700000000 ] - [ 0.0018416500000000, -0.0035071200000000, 0.0130887400000000 ] - [ 0.0004124000000000, 0.0005640700000000, -0.0000879000000000 ] - [ -0.0000696500000000, 0.0002805900000000, -0.0004039200000000 ] - [ -0.0004552500000000, 0.0005915100000000, 0.0004345200000000 ] - [ 0.0009533000000000, 0.0007061800000000, -0.0003492200000000 ] - [ -0.0012203900000000, 0.0011607500000000, -0.0028702700000000 ] - [ 0.0010272400000000, -0.0015220500000000, -0.0022528500000000 ] - [ -0.0005477300000000, -0.0005388800000000, -0.0001608900000000 ] - [ 0.0012368900000000, 0.0010022100000000, 0.0016387900000000 ] - [ -0.0012300300000000, -0.0026917400000000, -0.0004338300000000 ] - [ 0.0005668900000000, -0.0005086100000000, 0.0000818200000000 ] - [ -0.0005906900000000, -0.0210997200000000, 0.0140465400000000 ] - [ -0.0004124700000000, 0.0010833300000000, -0.0001858900000000 ] - [ -0.0011663100000000, 0.0002111600000000, 0.0002164100000000 ] - [ -0.0000822100000000, 0.0002662300000000, -0.0005636400000000 ] - [ -0.0021785500000000, 0.0026778100000000, 0.0014434600000000 ] - [ -0.0010049300000000, 0.0012948400000000, 0.0004304700000000 ] - [ 0.0003318100000000, -0.0000091100000000, -0.0000965300000000 ] - [ -0.0003795300000000, 0.0000765300000000, 0.0002844600000000 ] - [ -0.0017593000000000, 0.0018483800000000, -0.0023508400000000 ] - [ 0.0023322800000000, 0.0049303700000000, 0.0009989100000000 ] - [ -0.0007784100000000, 0.0008926900000000, 0.0005274700000000 ] - [ -0.0019901100000000, 0.0033840300000000, -0.0013099600000000 ] - [ 0.0033445600000000, -0.0104335800000000, -0.0027465000000000 ] - [ -0.0006103500000000, 0.0004563200000000, -0.0003434300000000 ] - [ -0.0102476000000000, -0.0002569600000000, -0.0017340900000000 ] - [ -0.0009172800000000, -0.0008103600000000, -0.0000256100000000 ] - [ -0.0004441700000000, -0.0000513200000000, 0.0001265600000000 ] - [ -0.0013519800000000, 0.0021782500000000, 0.0026330300000000 ] - [ -0.0026628300000000, 0.0006386800000000, -0.0001576600000000 ] - [ -0.0330074200000000, -0.0131826900000000, -0.0067364500000000 ] - [ -0.0002006600000000, 0.0003851000000000, 0.0008238800000000 ] - [ 0.0003188700000000, -0.0009389200000000, 0.0001553700000000 ] - [ -0.0006686500000000, -0.0007476300000000, 0.0006630600000000 ] - [ 0.0004204400000000, 0.0010894800000000, 0.0004403500000000 ] - [ 0.0000539400000000, 0.0001326300000000, -0.0000726200000000 ] - [ 0.0003665300000000, 0.0007044300000000, -0.0004504400000000 ] - [ 0.0001448200000000, 0.0004339500000000, -0.0001522600000000 ] - [ 0.0005649500000000, -0.0000306900000000, 0.0026747400000000 ] - [ 0.0000633000000000, 0.0006743200000000, 0.0002017700000000 ] - [ -0.0001081200000000, -0.0004137800000000, -0.0005523600000000 ] - [ -0.0007221700000000, -0.0003542700000000, 0.0001091200000000 ] - [ 0.0006458300000000, -0.0004099500000000, -0.0000440600000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000819800000000, -0.0011932400000000, 0.0003851700000000 ] - [ -0.0004014100000000, -0.0014591000000000, -0.0007934700000000 ] - [ -0.0008720800000000, 0.0005496600000000, -0.0010098800000000 ] - [ -0.0020370600000000, 0.0005887100000000, 0.0011464700000000 ] - [ 0.0005015200000000, -0.0013027700000000, -0.0001705600000000 ] - [ 0.0198197800000000, 0.0344107600000000, -0.0076623800000000 ] - [ 0.0000933800000000, 0.0003450000000000, 0.0002681300000000 ] - [ 0.0003447500000000, -0.0016721700000000, -0.0004319000000000 ] - [ 0.0018853400000000, -0.0046191300000000, 0.0002338300000000 ] - [ 0.0001549000000000, -0.0014185500000000, 0.0008067500000000 ] - [ -0.0000390600000000, 0.0001252900000000, -0.0003044100000000 ] - [ -0.0022078100000000, -0.0037718200000000, 0.0004136000000000 ] - [ -0.0004581500000000, -0.0004801100000000, 0.0001581900000000 ] - [ 0.0110225400000000, 0.0025257000000000, 0.0127659500000000 ] - [ -0.0017272300000000, 0.0081940900000000, 0.0005608000000000 ] - [ -0.0001794900000000, 0.0030107300000000, -0.0004813000000000 ] - [ 0.0019823100000000, 0.0084107700000000, -0.0109609800000000 ] - [ -0.0003517800000000, 0.0080285700000000, 0.0094538300000000 ] - [ 0.0045675700000000, -0.0025494900000000, -0.0026037700000000 ] - [ 0.0169802700000000, -0.0069666500000000, -0.0041407100000000 ] - [ 0.0005117700000000, -0.0013480600000000, -0.0003617100000000 ] - [ -0.0000253600000000, -0.0062189900000000, 0.0023380800000000 ] - [ -0.0004144300000000, -0.0018063000000000, 0.0004035100000000 ] - [ -0.0006761100000000, -0.0012827100000000, -0.0003741400000000 ] - [ -0.0000834800000000, -0.0024286800000000, -0.0003041100000000 ] - [ 0.0022777600000000, -0.0035336200000000, 0.0007755600000000 ] - [ -0.0029259600000000, -0.0013705900000000, 0.0015001600000000 ] - [ 0.0007551900000000, -0.0012962200000000, 0.0001363800000000 ] - [ -0.0000901500000000, -0.0021554100000000, 0.0009316700000000 ] - [ -0.0003902200000000, -0.0013426700000000, -0.0005164100000000 ] - [ -0.0010399600000000, 0.0009187500000000, 0.0002115200000000 ] - [ -0.0004083000000000, 0.0008166000000000, -0.0001966600000000 ] - [ 0.0010476500000000, 0.0031328800000000, 0.0010960300000000 ] - [ -0.0032245300000000, 0.0058655100000000, -0.0015043200000000 ] - [ -0.0011899000000000, 0.0021397600000000, -0.0007560000000000 ] - [ 0.0003207500000000, -0.0005977900000000, 0.0030910000000000 ] - [ 0.1886109100000000, 0.2231420700000000, 0.0074200300000000 ] - [ 0.0046830800000000, 0.0024750300000000, -0.0014340100000000 ] - [ -0.0019288500000000, -0.0207048000000000, -0.0006007900000000 ] - [ -0.0002296400000000, 0.0010053900000000, -0.0002838300000000 ] - [ -0.0002135500000000, 0.0004975900000000, -0.0001088800000000 ] - [ -0.0035841000000000, -0.0002691900000000, 0.0031843700000000 ] - [ 0.0003239900000000, 0.0004945100000000, -0.0005700400000000 ] - [ 0.0006146200000000, -0.0001230100000000, -0.0010245800000000 ] - [ -0.2743121500000000, -0.3247554400000000, 0.0095714600000000 ] - [ -0.0003613900000000, 0.0002863900000000, 0.0004751100000000 ] - [ 0.0028493800000000, 0.0011403600000000, -0.0011452400000000 ] - [ 0.0018453500000000, -0.0040036000000000, -0.0008993000000000 ] - [ 0.0002029600000000, 0.0008402800000000, -0.0000748500000000 ] - [ -0.0001768600000000, 0.0011025200000000, 0.0000981400000000 ] - [ -0.0062403600000000, 0.0235107200000000, 0.0030964300000000 ] - [ -0.0004416800000000, 0.0007049300000000, 0.0015620400000000 ] - [ -0.0003699200000000, 0.0013897200000000, -0.0006941200000000 ] - [ -0.0032485200000000, 0.0026540000000000, -0.0010927100000000 ] - [ -0.0003692900000000, -0.0004902100000000, -0.0001210300000000 ] - [ -0.0006733700000000, -0.0001489700000000, 0.0024190500000000 ] - [ -0.0008426800000000, 0.0011019200000000, -0.0000928500000000 ] - [ -0.0000704900000000, 0.0002966200000000, -0.0000557700000000 ] - [ -0.0007703300000000, 0.0010213400000000, 0.0004308200000000 ] - [ -0.0026974500000000, 0.0052691000000000, -0.0015238400000000 ] - [ 0.0005702900000000, 0.0017576700000000, 0.0006896900000000 ] - [ 0.0006846900000000, 0.0010940800000000, 0.0000807700000000 ] - [ 0.0008180200000000, 0.0022850200000000, -0.0006269900000000 ] - [ -0.0041674500000000, -0.0065874500000000, -0.0001746300000000 ] - [ -0.0003399800000000, 0.0003382200000000, -0.0003319900000000 ] - [ -0.0006438200000000, 0.0009296700000000, 0.0000042900000000 ] - [ -0.0027924300000000, 0.0052199200000000, -0.0006804700000000 ] - [ -0.0002505700000000, 0.0007007400000000, 0.0003104300000000 ] - [ -0.0005735700000000, 0.0009045600000000, -0.0010111500000000 ] - [ 0.0059148600000000, -0.0057792500000000, -0.0008291900000000 ] - [ 0.0078732200000000, 0.0010920100000000, 0.0113399600000000 ] - [ 0.0001675100000000, 0.0009498000000000, -0.0000351600000000 ] - [ 0.0007747900000000, 0.0005833900000000, -0.0041739100000000 ] - [ -0.0011035000000000, -0.0006235400000000, 0.0005993900000000 ] - [ 0.0007650800000000, 0.0010588600000000, -0.0004009900000000 ] - [ 0.0002320200000000, 0.0004997500000000, 0.0001108900000000 ] - [ -0.0007882800000000, 0.0009543800000000, 0.0000100300000000 ] - [ 0.0040603200000000, 0.0017791000000000, -0.0201793100000000 ] - [ -0.0012491400000000, -0.0011572800000000, -0.0000771900000000 ] - [ 0.0010795800000000, -0.0008456100000000, -0.0000014300000000 ] - [ 0.0002166000000000, -0.0005553800000000, 0.0000473000000000 ] - [ 0.0002111400000000, 0.0003453200000000, 0.0002552100000000 ] - [ 0.0015994100000000, -0.0018939000000000, 0.0019575800000000 ] - [ -0.0037261300000000, 0.0045551900000000, 0.0041161000000000 ] - [ 0.0005988900000000, 0.0014400700000000, -0.0001613800000000 ] - [ -0.0022657700000000, -0.0020232700000000, -0.0019623300000000 ] - [ 0.0042719600000000, 0.0047334900000000, -0.0006445300000000 ] - [ -0.0000620500000000, 0.0010483900000000, 0.0001301400000000 ] - [ 0.0213579100000000, 0.0211801800000000, -0.0202643800000000 ] - [ -0.0000461700000000, -0.0015792500000000, 0.0007945500000000 ] - [ 0.0011866500000000, -0.0002913400000000, -0.0000285400000000 ] - [ 0.0004420800000000, -0.0003602400000000, -0.0000016500000000 ] - [ 0.0006573000000000, -0.0017385600000000, -0.0004807300000000 ] - [ -0.0014985900000000, 0.0004463900000000, 0.0005271700000000 ] - [ -0.0000498400000000, 0.0000041400000000, -0.0001734000000000 ] - [ -0.0001544100000000, 0.0011417000000000, -0.0003905000000000 ] - [ 0.0006961700000000, -0.0019862100000000, 0.0003437600000000 ] - [ -0.0051007900000000, -0.0005969500000000, -0.0005165000000000 ] - [ 0.0002271000000000, 0.0002917500000000, 0.0002307200000000 ] - [ -0.0002045300000000, -0.0018157700000000, 0.0004982100000000 ] - [ 0.0144908400000000, 0.0340560300000000, 0.0134761500000000 ] - [ 0.0008152000000000, -0.0002106500000000, 0.0000510600000000 ] - [ 0.0024011600000000, -0.0016410200000000, 0.0000288600000000 ] - [ 0.0002222900000000, 0.0014300800000000, -0.0002414500000000 ] - [ 0.0000076300000000, 0.0000452900000000, 0.0002894100000000 ] - [ -0.0008336500000000, -0.0029036600000000, -0.0005476000000000 ] - [ 0.0000170400000000, -0.0002821500000000, -0.0002482800000000 ] - [ 0.0078539600000000, -0.0097458900000000, 0.0020961300000000 ] - [ -0.0007790700000000, -0.0007910200000000, 0.0006896700000000 ] - [ -0.0010017600000000, 0.0030258600000000, -0.0000788000000000 ] - [ 0.0001992400000000, 0.0013750400000000, -0.0006614700000000 ] - [ -0.0000375600000000, -0.0020732600000000, -0.0015727000000000 ] - [ 0.0004952300000000, 0.0009394700000000, 0.0001837400000000 ] - [ 0.0003732300000000, 0.0001281300000000, -0.0004695000000000 ] - [ 0.0004822100000000, 0.0007768600000000, -0.0008066300000000 ] - [ -0.0002335200000000, 0.0003461300000000, -0.0041666300000000 ] - [ -0.0005992100000000, -0.0003945500000000, -0.0000956500000000 ] - [ 0.0006863200000000, 0.0009059200000000, 0.0005432100000000 ] - [ -0.0003012200000000, 0.0003354000000000, -0.0000085300000000 ] - [ 0.0003123600000000, 0.0004922500000000, -0.0000003600000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002348700000000, 0.0011949600000000, -0.0003830500000000 ] - [ 0.0002447200000000, 0.0014566600000000, 0.0007880100000000 ] - [ 0.0010274600000000, -0.0005591400000000, 0.0009984000000000 ] - [ 0.0018844400000000, -0.0005937100000000, -0.0011384900000000 ] - [ -0.0005035500000000, 0.0004645300000000, 0.0001747700000000 ] - [ -0.0177184400000000, -0.0320938100000000, 0.0070018600000000 ] - [ -0.0000934100000000, 0.0000494900000000, -0.0002695000000000 ] - [ 0.0008258000000000, 0.0016752200000000, 0.0004306900000000 ] - [ -0.0018984900000000, 0.0042292100000000, -0.0002376000000000 ] - [ -0.0013208300000000, 0.0014255000000000, -0.0008026400000000 ] - [ 0.0000389700000000, -0.0009612000000000, 0.0003022500000000 ] - [ 0.0022187900000000, 0.0046085500000000, -0.0004168400000000 ] - [ 0.0004591600000000, 0.0008698400000000, -0.0001583200000000 ] - [ -0.0098763700000000, -0.0025659800000000, -0.0127392800000000 ] - [ 0.0016477400000000, -0.0084606500000000, -0.0005509700000000 ] - [ -0.0010017400000000, -0.0030185700000000, 0.0004734000000000 ] - [ -0.0012801200000000, -0.0074944500000000, 0.0104386300000000 ] - [ -0.0003145300000000, -0.0071678000000000, -0.0089904300000000 ] - [ -0.0052682400000000, 0.0016969300000000, 0.0021270800000000 ] - [ -0.0176266000000000, 0.0068237600000000, 0.0036661300000000 ] - [ 0.0002453500000000, 0.0015020400000000, -0.0001031600000000 ] - [ 0.0000259500000000, 0.0067924200000000, -0.0021646500000000 ] - [ -0.0003433000000000, 0.0019600400000000, 0.0000608100000000 ] - [ 0.0006791800000000, 0.0007030500000000, 0.0005367500000000 ] - [ 0.0000852100000000, 0.0030131800000000, 0.0001412500000000 ] - [ -0.0016046200000000, 0.0026694800000000, -0.0002898500000000 ] - [ 0.0036645000000000, 0.0012305400000000, -0.0010303600000000 ] - [ -0.0007575200000000, 0.0007177500000000, -0.0003006700000000 ] - [ 0.0007684200000000, 0.0030115100000000, -0.0014207700000000 ] - [ -0.0002848100000000, 0.0021979900000000, 0.0010051200000000 ] - [ 0.0003568200000000, -0.0017505300000000, -0.0007137100000000 ] - [ -0.0003534900000000, -0.0009888000000000, -0.0002680900000000 ] - [ -0.0002872800000000, -0.0029847300000000, -0.0015648600000000 ] - [ 0.0031996400000000, -0.0053099900000000, 0.0016540800000000 ] - [ 0.0004313700000000, -0.0019867700000000, 0.0012218100000000 ] - [ -0.0003142800000000, 0.0000124900000000, -0.0029267800000000 ] - [ -0.1989145100000000, -0.2294229400000000, -0.0085763300000000 ] - [ -0.0039881200000000, -0.0032992200000000, 0.0019330400000000 ] - [ 0.0027055800000000, 0.0206330500000000, 0.0010240200000000 ] - [ 0.0002223600000000, -0.0015920400000000, 0.0001198100000000 ] - [ 0.0002092400000000, -0.0003824400000000, 0.0002502900000000 ] - [ 0.0047511600000000, 0.0007058800000000, -0.0028699800000000 ] - [ 0.0008669400000000, -0.0009384200000000, 0.0002698900000000 ] - [ -0.0017971100000000, 0.0005613500000000, 0.0007196000000000 ] - [ 0.2829032500000000, 0.3302951900000000, -0.0082125500000000 ] - [ -0.0008304300000000, -0.0007308600000000, -0.0001745800000000 ] - [ -0.0037597900000000, -0.0018534700000000, 0.0010257900000000 ] - [ -0.0008856400000000, 0.0036619800000000, 0.0011941600000000 ] - [ -0.0001977500000000, -0.0009565000000000, 0.0002171700000000 ] - [ -0.0000578500000000, -0.0013026300000000, 0.0006297800000000 ] - [ 0.0071523900000000, -0.0237638400000000, -0.0029451000000000 ] - [ 0.0009875300000000, -0.0006719700000000, -0.0011645500000000 ] - [ 0.0003633500000000, -0.0015055800000000, 0.0005448700000000 ] - [ 0.0022901000000000, -0.0023087900000000, 0.0013849500000000 ] - [ 0.0004328200000000, 0.0003133200000000, -0.0002044900000000 ] - [ 0.0001420600000000, 0.0010069300000000, -0.0025236300000000 ] - [ 0.0013757600000000, -0.0019683500000000, -0.0000202400000000 ] - [ 0.0011046000000000, -0.0000343500000000, 0.0001842300000000 ] - [ 0.0004213100000000, 0.0000678600000000, 0.0003143000000000 ] - [ 0.0024394300000000, -0.0050557900000000, 0.0007954400000000 ] - [ -0.0003330400000000, -0.0015605800000000, 0.0000362700000000 ] - [ 0.0002434900000000, -0.0003756000000000, -0.0001921000000000 ] - [ -0.0011658200000000, -0.0033702200000000, -0.0001185200000000 ] - [ 0.0031830700000000, 0.0062302700000000, -0.0001550600000000 ] - [ 0.0002782600000000, -0.0005163200000000, 0.0006562200000000 ] - [ 0.0001195000000000, -0.0017902900000000, 0.0001121000000000 ] - [ 0.0017727500000000, -0.0049823000000000, 0.0005647400000000 ] - [ 0.0006015300000000, -0.0017890600000000, 0.0004342600000000 ] - [ 0.0000317600000000, -0.0008686200000000, 0.0006051100000000 ] - [ -0.0058771800000000, 0.0059349200000000, 0.0011624200000000 ] - [ -0.0083194500000000, -0.0011110400000000, -0.0108466600000000 ] - [ 0.0000668300000000, -0.0011498600000000, -0.0006924400000000 ] - [ -0.0002467400000000, 0.0002828300000000, 0.0042783100000000 ] - [ 0.0020697200000000, 0.0009676600000000, -0.0008943200000000 ] - [ -0.0004163400000000, 0.0000305100000000, -0.0003436200000000 ] - [ -0.0002277200000000, -0.0003832100000000, -0.0002524200000000 ] - [ -0.0001400900000000, -0.0002364700000000, 0.0001006500000000 ] - [ -0.0035029200000000, -0.0018293700000000, 0.0196639100000000 ] - [ 0.0002206800000000, 0.0009018100000000, 0.0002020000000000 ] - [ -0.0000513300000000, 0.0005897500000000, -0.0001235400000000 ] - [ -0.0002181300000000, 0.0006741800000000, 0.0000975000000000 ] - [ 0.0009838900000000, 0.0001043600000000, 0.0000437400000000 ] - [ -0.0004068900000000, 0.0014414900000000, -0.0022530100000000 ] - [ 0.0025526000000000, -0.0041460100000000, -0.0044495300000000 ] - [ -0.0006604700000000, -0.0012586600000000, -0.0001633100000000 ] - [ 0.0010703900000000, 0.0015772600000000, 0.0022642100000000 ] - [ -0.0052428700000000, -0.0054693200000000, 0.0005483300000000 ] - [ 0.0010181500000000, -0.0013855000000000, 0.0001626100000000 ] - [ -0.0218265900000000, -0.0215125900000000, 0.0207828900000000 ] - [ -0.0001881600000000, 0.0013809200000000, -0.0000672300000000 ] - [ -0.0002609200000000, -0.0004182000000000, 0.0001406600000000 ] - [ 0.0001009000000000, 0.0003923600000000, 0.0004147800000000 ] - [ -0.0006525100000000, 0.0016284500000000, 0.0003479200000000 ] - [ 0.0005403500000000, -0.0001179300000000, -0.0002349600000000 ] - [ 0.0001091300000000, -0.0001857300000000, -0.0001515700000000 ] - [ -0.0003735300000000, -0.0002759400000000, 0.0002783000000000 ] - [ -0.0001586200000000, 0.0011016500000000, -0.0004374200000000 ] - [ 0.0060728400000000, 0.0008389800000000, 0.0006270400000000 ] - [ -0.0005749700000000, 0.0007990600000000, 0.0005138500000000 ] - [ -0.0000272300000000, 0.0020318300000000, -0.0012282800000000 ] - [ -0.0145723100000000, -0.0344051500000000, -0.0131221900000000 ] - [ 0.0001149800000000, 0.0009295400000000, -0.0001616600000000 ] - [ -0.0027035400000000, 0.0005576000000000, -0.0007731800000000 ] - [ -0.0011807400000000, -0.0017676800000000, -0.0000518000000000 ] - [ -0.0000671100000000, -0.0002263800000000, 0.0000364500000000 ] - [ 0.0003082200000000, 0.0020163600000000, 0.0006373200000000 ] - [ -0.0010372600000000, 0.0005277100000000, 0.0001236700000000 ] - [ -0.0072004400000000, 0.0088653000000000, -0.0012703400000000 ] - [ 0.0002340200000000, 0.0008216500000000, -0.0010992600000000 ] - [ 0.0010602300000000, -0.0028432100000000, 0.0004023800000000 ] - [ -0.0007432100000000, -0.0014079500000000, 0.0010688400000000 ] - [ 0.0002710800000000, 0.0018776700000000, 0.0008467400000000 ] - [ 0.0000313200000000, -0.0000730000000000, -0.0000711600000000 ] - [ 0.0005798700000000, 0.0001987400000000, 0.0001776200000000 ] - [ -0.0001351800000000, 0.0003137500000000, 0.0000621400000000 ] - [ 0.0002382400000000, -0.0002262600000000, 0.0040278900000000 ] - [ -0.0003322300000000, 0.0011138700000000, 0.0002079200000000 ] - [ -0.0001463500000000, -0.0009388200000000, -0.0009498800000000 ] - [ -0.0007261400000000, -0.0005898900000000, 0.0001329400000000 ] - [ 0.0007147700000000, -0.0007467100000000, -0.0001251700000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001946000000000, 0.0005099000000000, -0.0001154100000000 ] - [ -0.0000641800000000, -0.0003893200000000, 0.0000121400000000 ] - [ -0.0002493500000000, -0.0002076500000000, -0.0005260300000000 ] - [ 0.0009155600000000, 0.0000351700000000, -0.0000668800000000 ] - [ -0.0000648300000000, -0.0001062300000000, -0.0010475900000000 ] - [ -0.0086883400000000, -0.0078023000000000, 0.0147303300000000 ] - [ 0.0005130300000000, -0.0000553000000000, -0.0035435200000000 ] - [ 0.0007327700000000, -0.0003176700000000, 0.0001077600000000 ] - [ 0.0005815300000000, -0.0006254800000000, 0.0009127300000000 ] - [ -0.0006353700000000, 0.0003363500000000, -0.0001582700000000 ] - [ -0.0002479600000000, -0.0005766000000000, -0.0011896700000000 ] - [ -0.0004824200000000, -0.0001032900000000, 0.0009550500000000 ] - [ 0.0002321600000000, 0.0004684900000000, -0.0005775200000000 ] - [ -0.0024974400000000, 0.0055191000000000, -0.0082831900000000 ] - [ -0.0010685100000000, 0.0025910500000000, 0.0015269800000000 ] - [ 0.0008432200000000, -0.0014236600000000, -0.0009620700000000 ] - [ -0.0046967300000000, -0.0040352400000000, -0.0044107800000000 ] - [ 0.0001742000000000, -0.0037027900000000, -0.0101487700000000 ] - [ 0.0006265800000000, -0.0016525300000000, -0.0011819600000000 ] - [ 0.0011634600000000, -0.0017805300000000, 0.0030048200000000 ] - [ 0.0004508300000000, 0.0000526200000000, -0.0007179300000000 ] - [ -0.0000749300000000, -0.0001036000000000, 0.0009146400000000 ] - [ -0.0003473300000000, 0.0003267800000000, -0.0001999400000000 ] - [ 0.0000665800000000, -0.0004879800000000, -0.0005770100000000 ] - [ -0.0000249700000000, 0.0004188100000000, 0.0007360600000000 ] - [ -0.0013872500000000, 0.0018438400000000, 0.0006510800000000 ] - [ 0.0010601500000000, 0.0005056300000000, 0.0008493400000000 ] - [ -0.0001146800000000, -0.0001990800000000, -0.0009453700000000 ] - [ 0.0004125700000000, 0.0009146400000000, -0.0001801100000000 ] - [ -0.0004670100000000, 0.0003481400000000, -0.0001304500000000 ] - [ -0.0004472900000000, 0.0000817900000000, -0.0010204800000000 ] - [ -0.0004517300000000, -0.0004360500000000, 0.0010546200000000 ] - [ 0.0000001100000000, -0.0010128700000000, -0.0038969900000000 ] - [ 0.0010973000000000, -0.0029346200000000, 0.0019868700000000 ] - [ -0.0009648700000000, 0.0004016500000000, -0.0024340300000000 ] - [ -0.0001699600000000, 0.0004097800000000, -0.0032767800000000 ] - [ 0.0138424500000000, 0.0084652200000000, 0.0514934900000000 ] - [ 0.0019287000000000, -0.0008969400000000, -0.0000436500000000 ] - [ -0.0007953500000000, -0.0071910300000000, 0.0024840700000000 ] - [ -0.0001184300000000, -0.0000660800000000, -0.0017473200000000 ] - [ 0.0000364500000000, 0.0000621600000000, 0.0005219600000000 ] - [ -0.0002504200000000, 0.0011251200000000, -0.0004716900000000 ] - [ 0.0006347800000000, -0.0003504000000000, 0.0000225100000000 ] - [ -0.0006718200000000, 0.0000136300000000, -0.0002810500000000 ] - [ 0.0010271400000000, 0.0083566900000000, -0.0734813800000000 ] - [ -0.0005140700000000, -0.0001653200000000, 0.0004266800000000 ] - [ -0.0011290100000000, -0.0008911400000000, -0.0008746600000000 ] - [ -0.0007060100000000, 0.0015282300000000, 0.0015644800000000 ] - [ -0.0000100100000000, 0.0001125500000000, -0.0003921100000000 ] - [ -0.0000899100000000, -0.0003222700000000, 0.0006320000000000 ] - [ 0.0002746900000000, 0.0014641500000000, -0.0028470900000000 ] - [ 0.0001353700000000, 0.0002619200000000, 0.0010769800000000 ] - [ 0.0000457300000000, -0.0002094300000000, -0.0004347200000000 ] - [ 0.0013819500000000, -0.0025116700000000, 0.0004135800000000 ] - [ 0.0000424100000000, -0.0001321900000000, 0.0002603500000000 ] - [ -0.0001255200000000, 0.0019069500000000, 0.0018434500000000 ] - [ 0.0000285700000000, -0.0000778600000000, -0.0002189400000000 ] - [ 0.0003417600000000, 0.0001720900000000, -0.0003564700000000 ] - [ -0.0001820600000000, 0.0004970500000000, 0.0009695900000000 ] - [ -0.0002910900000000, 0.0006055700000000, -0.0008400600000000 ] - [ 0.0000029100000000, -0.0003476800000000, 0.0001115600000000 ] - [ 0.0004504500000000, 0.0002813700000000, 0.0001379400000000 ] - [ -0.0001518800000000, -0.0002680700000000, -0.0006358700000000 ] - [ 0.0042817400000000, 0.0011841500000000, 0.0067786200000000 ] - [ 0.0002822600000000, -0.0005845800000000, 0.0008647800000000 ] - [ -0.0001972600000000, -0.0009200700000000, -0.0006093900000000 ] - [ -0.0013964200000000, 0.0018694200000000, -0.0013828500000000 ] - [ 0.0001286000000000, -0.0005646400000000, 0.0000959300000000 ] - [ -0.0000107400000000, -0.0004674200000000, 0.0001629200000000 ] - [ -0.0065059900000000, 0.0010856600000000, -0.0007263900000000 ] - [ 0.0055949800000000, 0.0038674800000000, 0.0026572200000000 ] - [ 0.0001166600000000, 0.0000489400000000, -0.0001326600000000 ] - [ -0.0004136700000000, -0.0003601100000000, 0.0047851300000000 ] - [ 0.0003058100000000, 0.0008492300000000, 0.0001816700000000 ] - [ 0.0000275600000000, 0.0005773700000000, 0.0002026200000000 ] - [ -0.0000125000000000, 0.0000755000000000, 0.0002257500000000 ] - [ -0.0005035200000000, 0.0003228700000000, 0.0002846700000000 ] - [ -0.0055222300000000, -0.0090509600000000, 0.0188180300000000 ] - [ -0.0007507700000000, 0.0000053700000000, 0.0015565400000000 ] - [ 0.0002159400000000, 0.0001262800000000, 0.0010609300000000 ] - [ -0.0002947700000000, 0.0004070900000000, 0.0011593500000000 ] - [ 0.0012233000000000, 0.0002096400000000, -0.0006283400000000 ] - [ 0.0024970100000000, -0.0003989500000000, 0.0017033300000000 ] - [ -0.0013806000000000, 0.0017163500000000, 0.0008554900000000 ] - [ -0.0000320100000000, 0.0000911000000000, -0.0003796700000000 ] - [ 0.0007171200000000, 0.0006530400000000, 0.0030946200000000 ] - [ 0.0016873300000000, 0.0015547100000000, -0.0011680200000000 ] - [ 0.0005247400000000, -0.0002240000000000, 0.0002320500000000 ] - [ -0.0169061900000000, -0.0240792900000000, 0.0039788800000000 ] - [ 0.0000741100000000, -0.0007083200000000, 0.0012396200000000 ] - [ 0.0005615100000000, -0.0003226700000000, -0.0003416600000000 ] - [ 0.0002706300000000, 0.0000139000000000, 0.0008036700000000 ] - [ -0.0003489600000000, 0.0005150100000000, -0.0001686500000000 ] - [ -0.0008729300000000, 0.0005209700000000, 0.0001397900000000 ] - [ 0.0000964900000000, -0.0000784300000000, 0.0001590900000000 ] - [ -0.0003220000000000, 0.0001625300000000, 0.0000310100000000 ] - [ 0.0005045100000000, -0.0008360100000000, 0.0002496800000000 ] - [ 0.0001663700000000, -0.0006523900000000, -0.0013034400000000 ] - [ -0.0002310300000000, 0.0004501400000000, 0.0007586100000000 ] - [ 0.0001001400000000, 0.0011229300000000, -0.0014098700000000 ] - [ 0.0076218100000000, 0.0210387500000000, 0.0000462800000000 ] - [ 0.0008401900000000, 0.0004790700000000, 0.0005833800000000 ] - [ -0.0000933400000000, -0.0001347800000000, -0.0010431400000000 ] - [ -0.0005551500000000, -0.0002619200000000, -0.0001733600000000 ] - [ -0.0000662200000000, 0.0000373000000000, 0.0004373300000000 ] - [ -0.0007290200000000, -0.0005511500000000, -0.0009586200000000 ] - [ -0.0007251100000000, 0.0000166900000000, -0.0004849000000000 ] - [ 0.0093918700000000, 0.0019533800000000, -0.0093516000000000 ] - [ -0.0005788100000000, 0.0001792000000000, 0.0001692000000000 ] - [ 0.0000378100000000, 0.0003312000000000, -0.0000787700000000 ] - [ -0.0004325600000000, -0.0002422900000000, -0.0002005300000000 ] - [ 0.0002462500000000, 0.0008983500000000, 0.0010679700000000 ] - [ 0.0002702700000000, 0.0004285400000000, 0.0003833300000000 ] - [ 0.0004418400000000, -0.0001181300000000, -0.0000054500000000 ] - [ -0.0001508600000000, 0.0003159300000000, 0.0003452400000000 ] - [ -0.0004516200000000, -0.0009325800000000, 0.0030545800000000 ] - [ -0.0000748800000000, 0.0004029800000000, 0.0008430400000000 ] - [ 0.0003892800000000, 0.0001438500000000, -0.0000304800000000 ] - [ -0.0005977100000000, -0.0001981600000000, 0.0002644700000000 ] - [ 0.0004834700000000, -0.0002016900000000, 0.0001177300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000408900000000, -0.0005132200000000, 0.0001142200000000 ] - [ -0.0000900400000000, 0.0003882300000000, -0.0000107200000000 ] - [ 0.0004023200000000, 0.0002064400000000, 0.0005181600000000 ] - [ -0.0010717500000000, -0.0000349800000000, 0.0000717900000000 ] - [ 0.0000654800000000, -0.0007292500000000, 0.0010461800000000 ] - [ 0.0087008000000000, 0.0086650200000000, -0.0145160500000000 ] - [ -0.0005138700000000, 0.0004409300000000, 0.0035448300000000 ] - [ 0.0004396000000000, 0.0003160400000000, -0.0001056200000000 ] - [ -0.0005798700000000, 0.0002332600000000, -0.0009120700000000 ] - [ -0.0005345900000000, -0.0003370200000000, 0.0001549100000000 ] - [ 0.0002488300000000, -0.0002636200000000, 0.0011871700000000 ] - [ 0.0004793100000000, 0.0009371900000000, -0.0009538900000000 ] - [ -0.0002321500000000, -0.0000754700000000, 0.0005769500000000 ] - [ 0.0037027200000000, -0.0054745000000000, 0.0082829800000000 ] - [ 0.0010352000000000, -0.0029346100000000, -0.0015180700000000 ] - [ -0.0020218500000000, 0.0014319200000000, 0.0009562900000000 ] - [ 0.0053393100000000, 0.0048370300000000, 0.0039702300000000 ] - [ -0.0008494000000000, 0.0045865800000000, 0.0106642200000000 ] - [ -0.0012917300000000, 0.0007969000000000, 0.0006883300000000 ] - [ -0.0019249300000000, 0.0016130700000000, -0.0034498700000000 ] - [ 0.0003073400000000, 0.0000982800000000, 0.0002506400000000 ] - [ 0.0000705200000000, 0.0006855500000000, -0.0007539700000000 ] - [ -0.0004109300000000, -0.0001762600000000, 0.0006664700000000 ] - [ -0.0000645100000000, -0.0000993400000000, 0.0007413100000000 ] - [ 0.0000299500000000, 0.0001629900000000, -0.0008989400000000 ] - [ 0.0020601100000000, -0.0026962600000000, -0.0001608800000000 ] - [ -0.0003074800000000, -0.0006566300000000, -0.0003860300000000 ] - [ 0.0001135700000000, -0.0003883400000000, 0.0007808100000000 ] - [ 0.0002634100000000, -0.0000592400000000, -0.0003031200000000 ] - [ -0.0002097900000000, 0.0005068100000000, 0.0006133300000000 ] - [ -0.0002315100000000, -0.0009309000000000, 0.0005231700000000 ] - [ -0.0003096900000000, 0.0002820600000000, -0.0015165200000000 ] - [ 0.0007662300000000, 0.0011717200000000, 0.0034332900000000 ] - [ -0.0011124800000000, 0.0035063100000000, -0.0018274600000000 ] - [ 0.0001977800000000, -0.0002460000000000, 0.0028937100000000 ] - [ 0.0001778500000000, -0.0009878700000000, 0.0034406900000000 ] - [ -0.0123008300000000, -0.0064948600000000, -0.0512573000000000 ] - [ -0.0012411800000000, 0.0000436500000000, 0.0005359100000000 ] - [ 0.0015521200000000, 0.0069800700000000, -0.0020025300000000 ] - [ 0.0001107700000000, -0.0005115900000000, 0.0015802700000000 ] - [ -0.0000410000000000, 0.0000555900000000, -0.0003778700000000 ] - [ 0.0014348900000000, -0.0006711400000000, 0.0007694000000000 ] - [ 0.0005562500000000, -0.0000936900000000, -0.0003251600000000 ] - [ -0.0005173400000000, 0.0004302700000000, -0.0000194300000000 ] - [ -0.0026325900000000, -0.0094423700000000, 0.0725607300000000 ] - [ -0.0006766800000000, -0.0002788600000000, -0.0001240800000000 ] - [ 0.0002046200000000, 0.0001750200000000, 0.0007643800000000 ] - [ 0.0016687700000000, -0.0018744900000000, -0.0012713700000000 ] - [ 0.0000135400000000, -0.0002279500000000, 0.0005325300000000 ] - [ -0.0001448800000000, 0.0001254600000000, 0.0000939600000000 ] - [ 0.0006543400000000, -0.0021919600000000, 0.0029508000000000 ] - [ 0.0004053300000000, -0.0002276900000000, -0.0006686100000000 ] - [ -0.0000497100000000, 0.0000949700000000, 0.0002944800000000 ] - [ -0.0023394700000000, 0.0028446000000000, -0.0001231600000000 ] - [ 0.0000188900000000, -0.0000490400000000, -0.0005849200000000 ] - [ -0.0003983700000000, -0.0010317400000000, -0.0019589900000000 ] - [ 0.0004968500000000, -0.0007852300000000, 0.0001067100000000 ] - [ 0.0006868500000000, 0.0000840500000000, 0.0004817900000000 ] - [ -0.0001689500000000, 0.0005955200000000, -0.0002252900000000 ] - [ 0.0000572200000000, -0.0004064600000000, 0.0001108100000000 ] - [ 0.0002322800000000, 0.0005477800000000, 0.0006154500000000 ] - [ 0.0004782900000000, 0.0004370000000000, -0.0002494000000000 ] - [ -0.0001964400000000, -0.0008204100000000, -0.0001084700000000 ] - [ -0.0051570300000000, -0.0015243600000000, -0.0069264600000000 ] - [ -0.0003429700000000, 0.0004028800000000, -0.0005397800000000 ] - [ -0.0003296200000000, 0.0000551800000000, 0.0007200300000000 ] - [ 0.0003697400000000, -0.0016161800000000, 0.0012577700000000 ] - [ 0.0002193300000000, -0.0005236900000000, 0.0006481800000000 ] - [ -0.0005309800000000, 0.0005007500000000, -0.0005699000000000 ] - [ 0.0065912900000000, -0.0009067000000000, 0.0010707600000000 ] - [ -0.0060980000000000, -0.0038754700000000, -0.0022617400000000 ] - [ 0.0001180500000000, -0.0002460500000000, -0.0005940100000000 ] - [ 0.0009451800000000, 0.0012289900000000, -0.0046985000000000 ] - [ 0.0006486500000000, -0.0005160300000000, -0.0004732100000000 ] - [ 0.0003236900000000, 0.0005150400000000, -0.0009482300000000 ] - [ 0.0000167500000000, 0.0000427500000000, -0.0003702500000000 ] - [ -0.0004260500000000, 0.0003954600000000, -0.0001733600000000 ] - [ 0.0061691300000000, 0.0092488600000000, -0.0195156200000000 ] - [ -0.0002799000000000, -0.0002616200000000, -0.0014317300000000 ] - [ 0.0008148500000000, -0.0003817300000000, -0.0011861100000000 ] - [ 0.0002930600000000, -0.0002923700000000, -0.0010149000000000 ] - [ -0.0000290000000000, 0.0002359700000000, 0.0009267700000000 ] - [ -0.0012927500000000, -0.0000426300000000, -0.0020055200000000 ] - [ 0.0001824800000000, -0.0012635500000000, -0.0011514100000000 ] - [ -0.0000288400000000, 0.0000894100000000, 0.0000543100000000 ] - [ -0.0019132400000000, -0.0011014200000000, -0.0027967700000000 ] - [ -0.0026204100000000, -0.0022672200000000, 0.0010543600000000 ] - [ 0.0004326200000000, -0.0001124500000000, 0.0000625000000000 ] - [ 0.0167233100000000, 0.0236594200000000, -0.0037766900000000 ] - [ -0.0003060000000000, 0.0005052700000000, -0.0005098200000000 ] - [ 0.0003686200000000, -0.0003938400000000, 0.0004518100000000 ] - [ 0.0002720700000000, 0.0000205800000000, -0.0003927500000000 ] - [ 0.0003493600000000, -0.0006286100000000, 0.0000316400000000 ] - [ -0.0000858500000000, -0.0001839300000000, 0.0001520000000000 ] - [ -0.0000356400000000, -0.0000997600000000, -0.0004838700000000 ] - [ -0.0002047500000000, 0.0007010100000000, -0.0001462700000000 ] - [ 0.0000270000000000, -0.0000358800000000, -0.0003527700000000 ] - [ 0.0008558400000000, 0.0008996900000000, 0.0014239600000000 ] - [ -0.0001147400000000, 0.0006369000000000, -0.0000141200000000 ] - [ -0.0003321900000000, -0.0009203400000000, 0.0006806000000000 ] - [ -0.0074122400000000, -0.0209682700000000, 0.0006675500000000 ] - [ 0.0000916400000000, 0.0002389800000000, -0.0006937900000000 ] - [ -0.0002311600000000, -0.0009525000000000, 0.0002990800000000 ] - [ -0.0004018400000000, -0.0000741400000000, -0.0001217800000000 ] - [ 0.0000055600000000, -0.0002154700000000, -0.0001121900000000 ] - [ 0.0002002400000000, -0.0003185900000000, 0.0010603800000000 ] - [ -0.0002994400000000, 0.0002361200000000, 0.0003599000000000 ] - [ -0.0090770500000000, -0.0030082400000000, 0.0101338000000000 ] - [ 0.0000344600000000, -0.0001443900000000, -0.0005778800000000 ] - [ 0.0000238600000000, -0.0001497600000000, 0.0004035300000000 ] - [ -0.0001096900000000, 0.0002095500000000, 0.0006029000000000 ] - [ -0.0000133200000000, -0.0011019400000000, -0.0017969500000000 ] - [ 0.0002570600000000, 0.0004354600000000, -0.0002683000000000 ] - [ 0.0005144800000000, 0.0004531000000000, -0.0002861400000000 ] - [ 0.0004969500000000, 0.0007714700000000, -0.0010895300000000 ] - [ 0.0004511400000000, 0.0010465600000000, -0.0032006300000000 ] - [ -0.0008585200000000, 0.0003150000000000, -0.0007321100000000 ] - [ 0.0001536500000000, -0.0001766200000000, -0.0003725100000000 ] - [ -0.0004293900000000, -0.0000568100000000, -0.0001397400000000 ] - [ 0.0005441300000000, -0.0000531300000000, -0.0002436100000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014265200000000, 0.0016144400000000, -0.0012384600000000 ] - [ 0.0003008100000000, 0.0010905400000000, 0.0009379900000000 ] - [ -0.0002054100000000, 0.0004384100000000, 0.0001595600000000 ] - [ -0.0001561000000000, 0.0000840500000000, -0.0001548800000000 ] - [ 0.0002668300000000, -0.0007685600000000, -0.0001252700000000 ] - [ 0.0123822700000000, 0.0069441800000000, -0.0016606400000000 ] - [ 0.0006384800000000, 0.0010771900000000, -0.0008011000000000 ] - [ -0.0002377200000000, -0.0002527200000000, -0.0027307700000000 ] - [ 0.0019552300000000, -0.0007389500000000, 0.0001846900000000 ] - [ -0.0046653000000000, -0.0021690100000000, 0.0004023000000000 ] - [ -0.0012444900000000, 0.0004468600000000, 0.0025429600000000 ] - [ -0.0024191800000000, -0.0017928500000000, 0.0003740700000000 ] - [ -0.0002603700000000, -0.0003580300000000, 0.0002060700000000 ] - [ 0.0000492800000000, -0.0014484100000000, 0.0002552800000000 ] - [ -0.0111810000000000, 0.0113285100000000, -0.0018966600000000 ] - [ 0.0010623500000000, -0.0018706700000000, -0.0001166200000000 ] - [ 0.0008087700000000, -0.0014507100000000, 0.0050629900000000 ] - [ 0.0017867700000000, -0.0049981400000000, -0.0139719700000000 ] - [ -0.0005787400000000, -0.0009335600000000, -0.0002147900000000 ] - [ -0.0141409200000000, -0.0000793300000000, -0.0003511800000000 ] - [ 0.0015313900000000, -0.0004549300000000, 0.0006437600000000 ] - [ -0.0027513200000000, 0.0026108700000000, -0.0010253900000000 ] - [ -0.0009920500000000, 0.0002200200000000, 0.0000947600000000 ] - [ 0.0018015200000000, 0.0001757500000000, 0.0002623100000000 ] - [ 0.0122800600000000, -0.0152324400000000, -0.0151602000000000 ] - [ 0.0009709700000000, -0.0011507600000000, -0.0000287000000000 ] - [ 0.4211142700000000, 0.0407923400000000, -0.0584470500000000 ] - [ -0.0018951500000000, -0.0001681100000000, 0.0003302300000000 ] - [ -0.0006943400000000, -0.0003089400000000, -0.0009154500000000 ] - [ -0.0002938300000000, -0.0010521800000000, 0.0013953300000000 ] - [ -0.0151617000000000, 0.0053929500000000, 0.0066633600000000 ] - [ 0.0006620000000000, -0.0016804500000000, -0.0006334400000000 ] - [ -0.0018486100000000, -0.0008425700000000, -0.0026378900000000 ] - [ 0.0075002700000000, -0.0007716900000000, 0.0014264400000000 ] - [ 0.0012219400000000, -0.0002968600000000, 0.0014573300000000 ] - [ -0.0006006300000000, -0.0012086000000000, -0.0000556100000000 ] - [ -0.0042678300000000, -0.0022041700000000, -0.0004305500000000 ] - [ -0.0044181600000000, -0.0013368500000000, -0.0015805000000000 ] - [ -0.0004828600000000, -0.0012577800000000, 0.0002817900000000 ] - [ 0.0005154400000000, -0.0009195000000000, -0.0001075500000000 ] - [ 0.0010873600000000, 0.0000925900000000, -0.0002768800000000 ] - [ 0.0051262700000000, 0.0013362300000000, -0.0021959100000000 ] - [ 0.0010551200000000, -0.0002926100000000, 0.0000838400000000 ] - [ 0.0217175000000000, -0.0060027100000000, -0.0163554700000000 ] - [ 0.0029951100000000, 0.0033927000000000, -0.0008285700000000 ] - [ -0.0009207900000000, 0.0000156800000000, -0.0005362200000000 ] - [ -0.5230917899999999, -0.0810482800000000, 0.0848047300000000 ] - [ -0.0017334200000000, 0.0029401800000000, 0.0018679400000000 ] - [ -0.0016275100000000, 0.0007813400000000, 0.0044450600000000 ] - [ 0.0001907200000000, -0.0002021600000000, 0.0003834000000000 ] - [ 0.0213044800000000, -0.0019677000000000, -0.0076530200000000 ] - [ 0.0002881700000000, 0.0001007100000000, 0.0002923100000000 ] - [ 0.0017244400000000, -0.0003799500000000, 0.0007046400000000 ] - [ -0.0008524000000000, 0.0009504300000000, 0.0001815900000000 ] - [ -0.0000581000000000, 0.0001304000000000, -0.0001484700000000 ] - [ -0.0001998200000000, -0.0000032000000000, -0.0021737600000000 ] - [ 0.0000279100000000, -0.0004033700000000, -0.0003923700000000 ] - [ 0.0002891600000000, 0.0006940500000000, 0.0001257800000000 ] - [ 0.0008251600000000, -0.0000389600000000, 0.0003280800000000 ] - [ 0.0023947200000000, -0.0020228700000000, 0.0001298800000000 ] - [ 0.0161746300000000, 0.0250658600000000, 0.0051789100000000 ] - [ 0.0007305200000000, 0.0003564300000000, -0.0000197300000000 ] - [ 0.0001803900000000, -0.0015126000000000, -0.0001861000000000 ] - [ 0.0004624400000000, 0.0016329300000000, -0.0012687600000000 ] - [ -0.0000772700000000, 0.0002331000000000, 0.0002007600000000 ] - [ -0.0006106400000000, -0.0001763300000000, 0.0004056600000000 ] - [ -0.0005155000000000, 0.0003098700000000, -0.0001203800000000 ] - [ -0.0058079300000000, 0.0015898400000000, 0.0007250900000000 ] - [ -0.0004104800000000, 0.0001647000000000, -0.0001369200000000 ] - [ -0.0072198300000000, 0.0068953500000000, -0.0000348900000000 ] - [ -0.0013093400000000, 0.0044563700000000, -0.0092842400000000 ] - [ -0.0003211900000000, 0.0000378400000000, -0.0007411500000000 ] - [ -0.0004607800000000, -0.0001137200000000, 0.0038346400000000 ] - [ 0.0005664500000000, 0.0008624900000000, -0.0001753700000000 ] - [ -0.0011396200000000, -0.0001312800000000, -0.0002338100000000 ] - [ -0.0005748800000000, -0.0001725700000000, 0.0005785300000000 ] - [ -0.0011808300000000, 0.0004707400000000, 0.0000309000000000 ] - [ 0.0120266200000000, 0.0129024800000000, 0.0162940700000000 ] - [ 0.0000842200000000, 0.0001418500000000, 0.0006140200000000 ] - [ -0.0002847700000000, 0.0000828900000000, -0.0001744400000000 ] - [ -0.0005133500000000, 0.0003370100000000, 0.0002961000000000 ] - [ 0.0002893300000000, 0.0004941300000000, 0.0002897000000000 ] - [ -0.0009671400000000, 0.0005807900000000, -0.0020300200000000 ] - [ -0.0004612300000000, 0.0004646300000000, -0.0001269500000000 ] - [ 0.0007549400000000, 0.0048613500000000, 0.0020015500000000 ] - [ 0.0020987100000000, 0.0015047100000000, 0.0044562500000000 ] - [ 0.0002609000000000, 0.0000853700000000, -0.0001311000000000 ] - [ 0.0008724100000000, 0.0007718800000000, -0.0002437500000000 ] - [ 0.0008839400000000, 0.0006544100000000, -0.0002158200000000 ] - [ -0.0003949300000000, 0.0003500500000000, 0.0000881300000000 ] - [ -0.0001065800000000, 0.0005820700000000, 0.0002525300000000 ] - [ 0.0022581700000000, -0.0017635900000000, -0.0047573600000000 ] - [ -0.0016855500000000, 0.0007027200000000, 0.0000654600000000 ] - [ 0.0011477000000000, -0.0004735500000000, 0.0012381900000000 ] - [ 0.0011095900000000, 0.0002623300000000, -0.0005371700000000 ] - [ -0.0001476500000000, 0.0007398900000000, 0.0002323700000000 ] - [ 0.0038598100000000, -0.0036199500000000, -0.0012097900000000 ] - [ 0.0086502200000000, 0.0020127000000000, 0.0018691800000000 ] - [ -0.0005121500000000, 0.0008686300000000, 0.0004089300000000 ] - [ -0.0012135500000000, 0.0015254100000000, -0.0007734400000000 ] - [ 0.0007543100000000, 0.0012483800000000, 0.0006197300000000 ] - [ -0.0005034100000000, -0.0000399100000000, -0.0006838000000000 ] - [ -0.0031034300000000, -0.0036850500000000, -0.0005810200000000 ] - [ 0.0002696000000000, 0.0005476200000000, 0.0003331900000000 ] - [ -0.0005588700000000, 0.0000455600000000, -0.0002300300000000 ] - [ 0.0020232100000000, -0.0008221800000000, 0.0025817900000000 ] - [ 0.0298475600000000, -0.0103483900000000, 0.0011683400000000 ] - [ 0.0024837500000000, -0.0011992100000000, 0.0008341700000000 ] - [ 0.0004037200000000, -0.0000538300000000, 0.0003175000000000 ] - [ 0.0016661800000000, -0.0006309600000000, 0.0002587100000000 ] - [ 0.0002410000000000, 0.0002884400000000, 0.0005386100000000 ] - [ 0.0004988100000000, 0.0007751800000000, 0.0002776500000000 ] - [ 0.0003547600000000, 0.0009199700000000, -0.0005526200000000 ] - [ 0.0056660900000000, 0.0027003900000000, -0.0015302100000000 ] - [ 0.0006598300000000, 0.0009325000000000, -0.0004593000000000 ] - [ 0.0003252300000000, 0.0003951000000000, -0.0002163300000000 ] - [ 0.0014263400000000, -0.0001845800000000, 0.0003756200000000 ] - [ 0.0005423100000000, 0.0005876000000000, -0.0006218000000000 ] - [ -0.0005841300000000, 0.0000823800000000, -0.0001389400000000 ] - [ 0.0007696000000000, -0.0001380600000000, -0.0001342100000000 ]- atom: 47 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012854600000000, -0.0015977700000000, 0.0012174400000000 ] - [ -0.0004595700000000, -0.0010889400000000, -0.0009364700000000 ] - [ 0.0003624100000000, -0.0004348500000000, -0.0001601200000000 ] - [ 0.0000046100000000, -0.0000816200000000, 0.0001552300000000 ] - [ -0.0002667300000000, -0.0000690400000000, 0.0001251200000000 ] - [ -0.0134422900000000, -0.0075878100000000, 0.0023110600000000 ] - [ -0.0006396100000000, -0.0006858100000000, 0.0008033400000000 ] - [ 0.0014251700000000, 0.0002419000000000, 0.0027306800000000 ] - [ -0.0019655600000000, 0.0003485400000000, -0.0001831700000000 ] - [ 0.0034817900000000, 0.0021592100000000, -0.0003942200000000 ] - [ 0.0012450700000000, -0.0012837300000000, -0.0025362500000000 ] - [ 0.0024203100000000, 0.0026195700000000, -0.0003759500000000 ] - [ 0.0002618900000000, 0.0007486400000000, -0.0002048000000000 ] - [ 0.0011140900000000, 0.0014437100000000, -0.0002551600000000 ] - [ 0.0111325300000000, -0.0116291700000000, 0.0018985300000000 ] - [ -0.0022373700000000, 0.0018645800000000, 0.0000984200000000 ] - [ -0.0001278300000000, 0.0022904200000000, -0.0055006400000000 ] - [ -0.0024983200000000, 0.0058393000000000, 0.0144495600000000 ] - [ -0.0001015400000000, 0.0000782100000000, -0.0002746600000000 ] - [ 0.0133390300000000, -0.0000818600000000, -0.0001205000000000 ] - [ -0.0007657400000000, 0.0006053400000000, -0.0011067200000000 ] - [ 0.0027336700000000, -0.0020439100000000, 0.0011953900000000 ] - [ 0.0002306200000000, -0.0000697000000000, 0.0003703200000000 ] - [ -0.0017846400000000, -0.0007619000000000, -0.0000969300000000 ] - [ -0.0121529100000000, 0.0157692900000000, 0.0148924200000000 ] - [ -0.0002973900000000, 0.0002928200000000, 0.0005199400000000 ] - [ -0.3939769500000000, -0.0381632900000000, 0.0540091400000000 ] - [ 0.0018817100000000, -0.0004186500000000, -0.0004928400000000 ] - [ 0.0013698000000000, 0.0011626100000000, 0.0004268300000000 ] - [ -0.0003768400000000, 0.0018998300000000, -0.0009047700000000 ] - [ 0.0144322200000000, -0.0062373900000000, -0.0071340700000000 ] - [ -0.0014106000000000, 0.0015062600000000, 0.0001698500000000 ] - [ 0.0025980900000000, 0.0009957300000000, 0.0021740700000000 ] - [ -0.0073718600000000, 0.0012902600000000, -0.0012470400000000 ] - [ -0.0019691000000000, 0.0004484700000000, -0.0009827100000000 ] - [ 0.0006045800000000, 0.0006272400000000, 0.0002222000000000 ] - [ 0.0042579500000000, 0.0027911100000000, 0.0002640300000000 ] - [ 0.0050910300000000, 0.0004766400000000, 0.0020449700000000 ] - [ 0.0012377500000000, 0.0011059100000000, 0.0001839500000000 ] - [ -0.0005169300000000, 0.0003346400000000, -0.0000567000000000 ] - [ -0.0010835100000000, 0.0000247400000000, 0.0004176400000000 ] - [ -0.0039422100000000, -0.0008911300000000, 0.0025139000000000 ] - [ 0.0001378200000000, -0.0001519000000000, -0.0003842100000000 ] - [ -0.0227188100000000, 0.0064205300000000, 0.0158118100000000 ] - [ -0.0030442700000000, -0.0032161500000000, 0.0005040500000000 ] - [ -0.0002728900000000, -0.0004603600000000, 0.0008347500000000 ] - [ 0.4959813500000000, 0.0787166200000000, -0.0803346200000000 ] - [ 0.0027044800000000, -0.0032821800000000, -0.0015711200000000 ] - [ 0.0016028000000000, -0.0009115600000000, -0.0042961200000000 ] - [ -0.0004226400000000, 0.0000045600000000, 0.0003435500000000 ] - [ -0.0205815800000000, 0.0012540400000000, 0.0078958500000000 ] - [ 0.0002557300000000, -0.0000672000000000, 0.0001145800000000 ] - [ -0.0017216100000000, 0.0002679900000000, -0.0008492900000000 ] - [ -0.0001020800000000, -0.0006125500000000, 0.0001108900000000 ] - [ 0.0001202100000000, -0.0003097900000000, -0.0001763700000000 ] - [ -0.0003241900000000, 0.0008641500000000, 0.0020430700000000 ] - [ 0.0005024500000000, -0.0004630000000000, 0.0002796600000000 ] - [ 0.0007400700000000, -0.0004359000000000, 0.0000002800000000 ] - [ -0.0011672100000000, 0.0011267500000000, 0.0004163100000000 ] - [ -0.0026298600000000, 0.0022412200000000, -0.0008609400000000 ] - [ -0.0156967000000000, -0.0244202600000000, -0.0044623200000000 ] - [ 0.0002015400000000, 0.0003622200000000, -0.0000910500000000 ] - [ -0.0005184300000000, 0.0004287300000000, -0.0005581200000000 ] - [ -0.0014102000000000, -0.0019550500000000, 0.0009653900000000 ] - [ 0.0000184100000000, -0.0004141100000000, 0.0001238200000000 ] - [ 0.0000861900000000, -0.0006871600000000, -0.0002933300000000 ] - [ -0.0005085500000000, -0.0000550000000000, -0.0000044500000000 ] - [ 0.0061222400000000, -0.0026854200000000, 0.0000183500000000 ] - [ -0.0001304700000000, -0.0001304100000000, -0.0002708100000000 ] - [ 0.0072335500000000, -0.0064964500000000, 0.0003448200000000 ] - [ 0.0008115800000000, -0.0044608100000000, 0.0096215000000000 ] - [ 0.0005536900000000, -0.0002358100000000, 0.0000128100000000 ] - [ 0.0009958400000000, 0.0009835000000000, -0.0037177800000000 ] - [ 0.0003944400000000, -0.0005232000000000, -0.0001158700000000 ] - [ 0.0014832800000000, 0.0012189800000000, -0.0005106400000000 ] - [ 0.0005756000000000, 0.0002899800000000, -0.0007218400000000 ] - [ 0.0002486000000000, 0.0002472400000000, 0.0000805000000000 ] - [ -0.0116114500000000, -0.0130818200000000, -0.0168289100000000 ] - [ -0.0011051000000000, -0.0003945000000000, -0.0004918300000000 ] - [ 0.0013101800000000, -0.0003370100000000, 0.0000469600000000 ] - [ 0.0005092600000000, -0.0002208000000000, -0.0001502500000000 ] - [ 0.0009053400000000, -0.0000443100000000, 0.0000068400000000 ] - [ 0.0021529300000000, -0.0010226400000000, 0.0017189600000000 ] - [ -0.0007264400000000, -0.0000203600000000, -0.0001747000000000 ] - [ -0.0008168900000000, -0.0046544900000000, -0.0023061600000000 ] - [ -0.0032915700000000, -0.0019533200000000, -0.0041673900000000 ] - [ -0.0011878400000000, -0.0008024100000000, 0.0000196600000000 ] - [ 0.0000847800000000, -0.0011023900000000, 0.0005350600000000 ] - [ -0.0008757300000000, -0.0007721100000000, 0.0003600900000000 ] - [ 0.0001599700000000, -0.0005487100000000, 0.0006379300000000 ] - [ 0.0010273100000000, -0.0012924800000000, -0.0001399200000000 ] - [ -0.0017043100000000, 0.0017848700000000, 0.0051309200000000 ] - [ 0.0016626700000000, -0.0008019400000000, -0.0001902800000000 ] - [ -0.0021088200000000, 0.0008183100000000, -0.0009364200000000 ] - [ -0.0010419000000000, -0.0004379700000000, 0.0002116000000000 ] - [ -0.0003785100000000, 0.0001243200000000, -0.0003451200000000 ] - [ -0.0033183700000000, 0.0027397100000000, 0.0010789100000000 ] - [ -0.0076067100000000, -0.0017550800000000, -0.0017461000000000 ] - [ 0.0001633400000000, 0.0002207100000000, 0.0003359500000000 ] - [ 0.0009641200000000, -0.0012947100000000, 0.0000324500000000 ] - [ -0.0005160600000000, -0.0010505700000000, 0.0001068500000000 ] - [ 0.0014265400000000, 0.0007553800000000, 0.0005699300000000 ] - [ 0.0027161800000000, 0.0025720700000000, -0.0001690700000000 ] - [ -0.0012271700000000, -0.0008825600000000, -0.0006268900000000 ] - [ 0.0004929500000000, -0.0002214800000000, 0.0005535800000000 ] - [ -0.0025404400000000, -0.0000513800000000, -0.0024469800000000 ] - [ -0.0301843800000000, 0.0104352600000000, -0.0011900700000000 ] - [ -0.0021268700000000, 0.0001020200000000, -0.0000877000000000 ] - [ -0.0009460300000000, 0.0000859700000000, -0.0007120900000000 ] - [ -0.0016014900000000, 0.0008149800000000, 0.0000657100000000 ] - [ -0.0007823300000000, -0.0003207200000000, -0.0001324200000000 ] - [ -0.0002620200000000, -0.0009778800000000, -0.0010065800000000 ] - [ 0.0001724000000000, -0.0000548200000000, 0.0006641800000000 ] - [ -0.0046939300000000, -0.0023533200000000, 0.0012326300000000 ] - [ -0.0003103700000000, 0.0001559400000000, -0.0002864800000000 ] - [ -0.0003188500000000, -0.0002784000000000, 0.0000720500000000 ] - [ -0.0023525100000000, 0.0009004900000000, -0.0002664100000000 ] - [ 0.0000000500000000, -0.0006183500000000, 0.0002169000000000 ] - [ -0.0004433100000000, -0.0003372500000000, 0.0002630500000000 ] - [ 0.0002596100000000, -0.0001168700000000, 0.0000081700000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013464200000000, 0.0006662600000000, 0.0015383100000000 ] - [ 0.0005683700000000, 0.0005871700000000, -0.0008072600000000 ] - [ 0.0002471000000000, -0.0004115300000000, -0.0002348000000000 ] - [ 0.0000370200000000, -0.0004348000000000, 0.0002498200000000 ] - [ 0.0001614700000000, -0.0014384900000000, 0.0001408700000000 ] - [ 0.0095503400000000, 0.0290831200000000, -0.0060120700000000 ] - [ 0.0001808600000000, 0.0016005100000000, 0.0000336200000000 ] - [ -0.0018282700000000, 0.0016014600000000, -0.0032712200000000 ] - [ 0.0026282000000000, -0.0044006000000000, -0.0003583800000000 ] - [ -0.0011527200000000, 0.0010803100000000, 0.0008633600000000 ] - [ -0.0002012100000000, 0.0006124300000000, 0.0002181100000000 ] - [ -0.0019876200000000, -0.0032236600000000, 0.0003279400000000 ] - [ -0.0001361100000000, -0.0008289800000000, 0.0001170300000000 ] - [ 0.0002735200000000, -0.0015609300000000, 0.0004520300000000 ] - [ 0.0018759500000000, -0.0001874400000000, -0.0006069100000000 ] - [ -0.0010151500000000, -0.0024096200000000, -0.0020379000000000 ] - [ 0.0001722100000000, -0.0003198400000000, 0.0043077400000000 ] - [ 0.0002242200000000, -0.0004025600000000, -0.0077745600000000 ] - [ -0.0003871700000000, -0.0031053100000000, 0.0004159700000000 ] - [ -0.0016439300000000, 0.0025751800000000, 0.0002892900000000 ] - [ 0.0003643200000000, -0.0000536300000000, 0.0008669900000000 ] - [ 0.0006175200000000, 0.0019306500000000, -0.0005567700000000 ] - [ -0.0004406200000000, 0.0002469800000000, -0.0000481600000000 ] - [ 0.0001867000000000, 0.0013650400000000, -0.0001613400000000 ] - [ 0.0022276700000000, -0.0149837500000000, -0.0145424200000000 ] - [ 0.0001565000000000, -0.0026648600000000, -0.0003469200000000 ] - [ 0.0346612200000000, 0.0622572500000000, -0.0091181200000000 ] - [ -0.0002277100000000, 0.0009363800000000, 0.0004328800000000 ] - [ -0.0004031200000000, -0.0007607600000000, -0.0011277000000000 ] - [ -0.0009311900000000, -0.0011147800000000, 0.0015372500000000 ] - [ -0.0007843700000000, 0.0007504500000000, -0.0004907100000000 ] - [ 0.0002349400000000, -0.0056446800000000, -0.0006085200000000 ] - [ -0.0002956600000000, -0.0005364000000000, -0.0016527600000000 ] - [ 0.0104085400000000, -0.0090404700000000, 0.0017695700000000 ] - [ 0.0002453700000000, -0.0003945500000000, 0.0013051600000000 ] - [ -0.0002234400000000, -0.0015435500000000, 0.0000581800000000 ] - [ -0.0015998200000000, -0.0022617100000000, -0.0002002800000000 ] - [ -0.0001950700000000, 0.0016417200000000, 0.0011253500000000 ] - [ 0.0000915600000000, -0.0024586600000000, 0.0002059400000000 ] - [ 0.0001723100000000, -0.0017394500000000, -0.0004562500000000 ] - [ -0.0001283200000000, -0.0004543300000000, -0.0005094700000000 ] - [ 0.0008645900000000, -0.0002823300000000, -0.0000812900000000 ] - [ 0.0008592800000000, -0.0001792500000000, 0.0001398800000000 ] - [ -0.0009080800000000, -0.0076895600000000, 0.0006258900000000 ] - [ 0.0022502100000000, 0.0015825200000000, -0.0006936600000000 ] - [ -0.0004766200000000, 0.0001012400000000, -0.0005335300000000 ] - [ -0.0786044000000000, -0.1115439200000000, 0.0245267200000000 ] - [ 0.0003379300000000, 0.0007029300000000, 0.0015373300000000 ] - [ 0.0014077000000000, 0.0005930800000000, 0.0059430500000000 ] - [ -0.0000469600000000, -0.0004847800000000, 0.0004587500000000 ] - [ 0.0020722800000000, -0.0030603700000000, -0.0005374900000000 ] - [ 0.0002843100000000, 0.0006366600000000, 0.0000311400000000 ] - [ -0.0002884800000000, -0.0005876800000000, -0.0001716700000000 ] - [ -0.0009186200000000, 0.0015406400000000, 0.0001737300000000 ] - [ 0.0003074500000000, 0.0006450400000000, -0.0000848300000000 ] - [ 0.0000045000000000, -0.0005090500000000, -0.0020717000000000 ] - [ -0.0002633400000000, 0.0010563000000000, -0.0009106500000000 ] - [ 0.0011047800000000, 0.0025081700000000, 0.0004984700000000 ] - [ 0.0002281700000000, -0.0001649100000000, 0.0002583700000000 ] - [ 0.0002764800000000, -0.0019568700000000, 0.0001895000000000 ] - [ 0.0298144200000000, 0.0200812700000000, 0.0031369200000000 ] - [ 0.0004604100000000, 0.0004665000000000, -0.0000206400000000 ] - [ -0.0013664200000000, -0.0005697000000000, -0.0002312400000000 ] - [ 0.0003117800000000, 0.0012276600000000, -0.0011353600000000 ] - [ -0.0002570200000000, 0.0005054400000000, 0.0001264300000000 ] - [ -0.0004243700000000, 0.0008485100000000, 0.0011109200000000 ] - [ -0.0008761000000000, 0.0010779600000000, -0.0001805000000000 ] - [ -0.0022214200000000, 0.0053178800000000, 0.0019169500000000 ] - [ -0.0002914700000000, 0.0004904600000000, -0.0000712100000000 ] - [ -0.0058500600000000, 0.0234839900000000, -0.0016485800000000 ] - [ 0.0012303700000000, 0.0025123600000000, -0.0089366900000000 ] - [ 0.0000854000000000, -0.0005447600000000, -0.0007078100000000 ] - [ -0.0001567200000000, -0.0009607400000000, 0.0020028500000000 ] - [ 0.0012879200000000, 0.0019945400000000, -0.0001196700000000 ] - [ -0.0003843900000000, -0.0003444400000000, -0.0004388300000000 ] - [ -0.0000812600000000, -0.0005955600000000, 0.0010223800000000 ] - [ -0.0005744900000000, 0.0006969500000000, -0.0002731000000000 ] - [ 0.0081289100000000, 0.0042459600000000, 0.0087530400000000 ] - [ -0.0003545300000000, -0.0001644400000000, 0.0003317200000000 ] - [ 0.0003057200000000, -0.0001957500000000, -0.0002208100000000 ] - [ -0.0002083600000000, 0.0006861200000000, 0.0008588000000000 ] - [ 0.0009544400000000, 0.0013930800000000, -0.0002394500000000 ] - [ -0.0001516400000000, 0.0002237700000000, -0.0016001800000000 ] - [ -0.0008795400000000, 0.0009663500000000, 0.0000069800000000 ] - [ 0.0023189100000000, 0.0051921100000000, 0.0017496600000000 ] - [ 0.0006067900000000, 0.0005049900000000, 0.0024332600000000 ] - [ -0.0000215600000000, 0.0005068100000000, -0.0001482800000000 ] - [ 0.0007592000000000, 0.0001605100000000, -0.0003338200000000 ] - [ 0.0002761900000000, 0.0007720500000000, -0.0003731200000000 ] - [ -0.0002267800000000, 0.0005531700000000, 0.0000975100000000 ] - [ -0.0004690500000000, 0.0016688900000000, 0.0003424200000000 ] - [ 0.0004936900000000, -0.0005331200000000, -0.0003085400000000 ] - [ -0.0016405400000000, 0.0026025000000000, 0.0021521800000000 ] - [ 0.0006312200000000, -0.0016555500000000, 0.0001986100000000 ] - [ -0.0000704500000000, -0.0006620200000000, -0.0002807200000000 ] - [ -0.0002644800000000, 0.0010430300000000, 0.0003495000000000 ] - [ 0.0006895200000000, -0.0015902200000000, 0.0010606000000000 ] - [ -0.0002053800000000, -0.0007065200000000, -0.0001739900000000 ] - [ -0.0005540800000000, 0.0011417900000000, 0.0004600200000000 ] - [ -0.0013550400000000, 0.0056849300000000, -0.0023982500000000 ] - [ 0.0004277900000000, 0.0018388000000000, 0.0007528800000000 ] - [ 0.0000705700000000, 0.0002091300000000, -0.0003070400000000 ] - [ -0.0029034400000000, -0.0000797200000000, -0.0009031200000000 ] - [ 0.0004491200000000, 0.0005310100000000, 0.0005291900000000 ] - [ 0.0002880200000000, -0.0008459600000000, 0.0002086200000000 ] - [ -0.0005935900000000, -0.0010061000000000, -0.0008621700000000 ] - [ -0.0118143500000000, -0.0087449000000000, -0.0008921100000000 ] - [ 0.0003902700000000, -0.0003098700000000, 0.0004923700000000 ] - [ -0.0001301700000000, -0.0004471200000000, -0.0003668700000000 ] - [ 0.0006069000000000, 0.0001511400000000, 0.0001267100000000 ] - [ 0.0001233000000000, 0.0005604300000000, 0.0006697100000000 ] - [ 0.0002609400000000, 0.0007052000000000, 0.0000886600000000 ] - [ 0.0004690500000000, 0.0011785300000000, -0.0005731600000000 ] - [ -0.0002252800000000, -0.0014968100000000, -0.0003706600000000 ] - [ 0.0005217800000000, 0.0010720000000000, -0.0004183900000000 ] - [ 0.0001554000000000, 0.0005190900000000, -0.0003515900000000 ] - [ 0.0000718500000000, 0.0002157100000000, 0.0003492500000000 ] - [ 0.0005850500000000, 0.0008232400000000, -0.0008219300000000 ] - [ -0.0003370800000000, 0.0001554100000000, -0.0001925800000000 ] - [ 0.0005721200000000, -0.0000234200000000, -0.0000586300000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012026200000000, -0.0006473500000000, -0.0015589500000000 ] - [ -0.0007217600000000, -0.0005871700000000, 0.0008057100000000 ] - [ -0.0000933600000000, 0.0004053200000000, 0.0002354500000000 ] - [ -0.0001922600000000, 0.0004316300000000, -0.0002505900000000 ] - [ -0.0001609300000000, 0.0006036100000000, -0.0001404300000000 ] - [ -0.0109673400000000, -0.0294254900000000, 0.0066725300000000 ] - [ -0.0001823400000000, -0.0012145900000000, -0.0000351000000000 ] - [ 0.0029968100000000, -0.0015902300000000, 0.0032717200000000 ] - [ -0.0026166400000000, 0.0040089400000000, 0.0003571400000000 ] - [ -0.0000044000000000, -0.0010549000000000, -0.0008647300000000 ] - [ 0.0002079100000000, -0.0014558900000000, -0.0002381000000000 ] - [ 0.0019846700000000, 0.0040674700000000, -0.0003274100000000 ] - [ 0.0001361800000000, 0.0012226000000000, -0.0001172100000000 ] - [ 0.0009032600000000, 0.0015624400000000, -0.0004550500000000 ] - [ -0.0018165800000000, -0.0002986300000000, 0.0006237800000000 ] - [ -0.0001555800000000, 0.0024142200000000, 0.0020554600000000 ] - [ 0.0004988500000000, 0.0011756700000000, -0.0048037600000000 ] - [ -0.0009015800000000, 0.0012565100000000, 0.0082982000000000 ] - [ -0.0002842200000000, 0.0022533100000000, -0.0009000600000000 ] - [ 0.0009145100000000, -0.0027120900000000, -0.0007429900000000 ] - [ 0.0003906100000000, 0.0002142000000000, -0.0013315200000000 ] - [ -0.0006177900000000, -0.0013378600000000, 0.0007232500000000 ] - [ -0.0003152600000000, -0.0000897000000000, 0.0005129700000000 ] - [ -0.0001889500000000, -0.0019429700000000, 0.0003215000000000 ] - [ -0.0022485400000000, 0.0155758500000000, 0.0143667700000000 ] - [ 0.0005237500000000, 0.0018128900000000, 0.0008288800000000 ] - [ -0.0361047300000000, -0.0629988000000000, 0.0098925900000000 ] - [ 0.0002319600000000, -0.0015153700000000, -0.0006010700000000 ] - [ 0.0010796900000000, 0.0016210400000000, 0.0006391300000000 ] - [ 0.0002506800000000, 0.0019783600000000, -0.0010461900000000 ] - [ 0.0002266700000000, -0.0016556800000000, -0.0000438600000000 ] - [ -0.0010007000000000, 0.0055120700000000, 0.0001410200000000 ] - [ 0.0010659200000000, 0.0006847500000000, 0.0011936700000000 ] - [ -0.0105303400000000, 0.0096497500000000, -0.0016207200000000 ] - [ -0.0010125500000000, 0.0005415800000000, -0.0008474300000000 ] - [ 0.0002311800000000, 0.0009602800000000, 0.0001042900000000 ] - [ 0.0016301900000000, 0.0028476000000000, 0.0000388900000000 ] - [ 0.0008833600000000, -0.0024923500000000, -0.0006224000000000 ] - [ 0.0006713200000000, 0.0023090500000000, 0.0002597900000000 ] - [ -0.0001796500000000, 0.0011565200000000, 0.0002961200000000 ] - [ 0.0001196600000000, 0.0005669900000000, 0.0006553700000000 ] - [ 0.0003175200000000, 0.0007232600000000, 0.0003816300000000 ] - [ 0.0003322500000000, -0.0002674600000000, -0.0004393300000000 ] - [ -0.0004938100000000, 0.0081943100000000, -0.0008276200000000 ] - [ -0.0023315100000000, -0.0014126400000000, 0.0003722200000000 ] - [ -0.0007137500000000, -0.0005488600000000, 0.0008333000000000 ] - [ 0.0810962000000000, 0.1127216000000000, -0.0257751100000000 ] - [ 0.0006194800000000, -0.0010394700000000, -0.0012520100000000 ] - [ -0.0013914700000000, -0.0007133700000000, -0.0057827400000000 ] - [ -0.0001882600000000, 0.0002808500000000, 0.0002702700000000 ] - [ -0.0011498300000000, 0.0023568800000000, 0.0006509500000000 ] - [ 0.0002574200000000, -0.0006049600000000, 0.0003712200000000 ] - [ 0.0002799900000000, 0.0004660300000000, 0.0000254300000000 ] - [ -0.0000394400000000, -0.0012053100000000, 0.0001214100000000 ] - [ -0.0002449000000000, -0.0008255600000000, -0.0002405700000000 ] - [ -0.0005324300000000, 0.0013775700000000, 0.0019714100000000 ] - [ 0.0007888600000000, -0.0019215800000000, 0.0007962500000000 ] - [ -0.0000778200000000, -0.0022562800000000, -0.0003724800000000 ] - [ -0.0005804100000000, 0.0012546900000000, 0.0004874400000000 ] - [ -0.0005164500000000, 0.0021513200000000, -0.0009164800000000 ] - [ -0.0290653300000000, -0.0195868100000000, -0.0024620500000000 ] - [ 0.0004664900000000, 0.0002489500000000, -0.0000905600000000 ] - [ 0.0010129500000000, -0.0005239000000000, -0.0005137700000000 ] - [ -0.0012711500000000, -0.0015688000000000, 0.0008463400000000 ] - [ 0.0001951400000000, -0.0006859600000000, 0.0001989400000000 ] - [ -0.0001044100000000, -0.0017145500000000, -0.0009958200000000 ] - [ -0.0001528300000000, -0.0008243900000000, 0.0000554300000000 ] - [ 0.0025874500000000, -0.0063650200000000, -0.0011624800000000 ] - [ -0.0002511400000000, -0.0004591200000000, -0.0003303400000000 ] - [ 0.0059667600000000, -0.0237928300000000, 0.0020084500000000 ] - [ -0.0017814800000000, -0.0025567100000000, 0.0094196300000000 ] - [ 0.0001507400000000, 0.0003392700000000, -0.0000188300000000 ] - [ 0.0006886100000000, 0.0018309200000000, -0.0018991100000000 ] - [ -0.0003334900000000, -0.0016625400000000, -0.0001756200000000 ] - [ 0.0007368800000000, 0.0014341400000000, -0.0003046500000000 ] - [ 0.0000866900000000, 0.0007091900000000, -0.0011630300000000 ] - [ -0.0003520500000000, 0.0000180200000000, 0.0003844200000000 ] - [ -0.0076896000000000, -0.0043055600000000, -0.0092366100000000 ] - [ -0.0006751000000000, -0.0000904700000000, -0.0002078200000000 ] - [ 0.0007245400000000, -0.0000582500000000, 0.0000975700000000 ] - [ 0.0002076300000000, -0.0005708300000000, -0.0007210100000000 ] - [ 0.0002344100000000, -0.0009545800000000, 0.0005472500000000 ] - [ 0.0013504900000000, -0.0006709300000000, 0.0013077100000000 ] - [ -0.0003130600000000, -0.0005222200000000, -0.0003078800000000 ] - [ -0.0023723900000000, -0.0050100400000000, -0.0020717400000000 ] - [ -0.0018088900000000, -0.0009542100000000, -0.0021460100000000 ] - [ -0.0009094300000000, -0.0012264200000000, 0.0000368500000000 ] - [ 0.0002015600000000, -0.0005075500000000, 0.0006269300000000 ] - [ -0.0002775400000000, -0.0008899800000000, 0.0005157800000000 ] - [ -0.0000054200000000, -0.0007505600000000, 0.0006302600000000 ] - [ 0.0014059800000000, -0.0023935600000000, -0.0002321000000000 ] - [ 0.0000324000000000, 0.0005811900000000, 0.0007515700000000 ] - [ 0.0016622600000000, -0.0027350700000000, -0.0023161500000000 ] - [ -0.0015898100000000, 0.0019876300000000, 0.0000892700000000 ] - [ 0.0001255200000000, 0.0004783700000000, -0.0000408100000000 ] - [ -0.0002619400000000, -0.0001810800000000, -0.0004625200000000 ] - [ -0.0001863600000000, 0.0007528600000000, -0.0011660000000000 ] - [ 0.0011992600000000, 0.0009528300000000, 0.0002899200000000 ] - [ 0.0002081600000000, -0.0000544400000000, 0.0002842500000000 ] - [ 0.0011392600000000, -0.0055224900000000, 0.0016914700000000 ] - [ -0.0001978900000000, -0.0016411900000000, -0.0000249800000000 ] - [ 0.0008652100000000, 0.0005132400000000, 0.0002008000000000 ] - [ 0.0025944900000000, -0.0009844100000000, 0.0001631700000000 ] - [ -0.0014069900000000, -0.0008723300000000, -0.0008222100000000 ] - [ -0.0003445800000000, 0.0006624100000000, 0.0001203500000000 ] - [ 0.0000563500000000, 0.0001481000000000, 0.0009589500000000 ] - [ 0.0106955300000000, 0.0091001300000000, 0.0008177600000000 ] - [ -0.0000553700000000, -0.0007708600000000, 0.0002483800000000 ] - [ -0.0004134800000000, 0.0004814900000000, -0.0000435500000000 ] - [ -0.0005436800000000, 0.0000245600000000, 0.0001975100000000 ] - [ -0.0006649600000000, -0.0005966600000000, -0.0002623400000000 ] - [ -0.0000289400000000, -0.0009037700000000, -0.0008171700000000 ] - [ 0.0000585800000000, -0.0003170700000000, 0.0006865500000000 ] - [ 0.0011398600000000, 0.0018045800000000, 0.0000859100000000 ] - [ -0.0001749500000000, 0.0000158100000000, -0.0003259300000000 ] - [ -0.0001535800000000, -0.0004032100000000, 0.0002109900000000 ] - [ -0.0010123300000000, 0.0005075000000000, -0.0002380500000000 ] - [ -0.0000412700000000, -0.0008601100000000, 0.0004139800000000 ] - [ -0.0006900800000000, -0.0004134300000000, 0.0003177700000000 ] - [ 0.0004556600000000, -0.0002338700000000, -0.0000668800000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008432700000000, 0.0010688200000000, 0.0000754200000000 ] - [ 0.0003399000000000, -0.0009181700000000, -0.0009945800000000 ] - [ 0.0000725000000000, -0.0003403500000000, 0.0001190400000000 ] - [ -0.0001367700000000, 0.0002139200000000, -0.0001533200000000 ] - [ -0.0000975700000000, -0.0001047600000000, -0.0005832800000000 ] - [ -0.0022718700000000, -0.0048809700000000, 0.0152778300000000 ] - [ 0.0002901200000000, -0.0002230700000000, -0.0030828000000000 ] - [ -0.0001002200000000, -0.0007286300000000, -0.0014724900000000 ] - [ 0.0000724000000000, -0.0003048000000000, 0.0006903500000000 ] - [ 0.0005280300000000, 0.0019769600000000, 0.0002166000000000 ] - [ 0.0004027200000000, -0.0006937900000000, -0.0029786200000000 ] - [ 0.0001851900000000, 0.0006742300000000, 0.0003579600000000 ] - [ 0.0001135600000000, 0.0004046900000000, -0.0004171900000000 ] - [ 0.0015354300000000, 0.0014233200000000, -0.0001527700000000 ] - [ -0.0018741500000000, 0.0029459000000000, 0.0025311400000000 ] - [ 0.0000184500000000, -0.0008262600000000, 0.0006034600000000 ] - [ 0.0004119400000000, 0.0027354300000000, -0.0075519800000000 ] - [ -0.0010066700000000, -0.0025550600000000, -0.0027418200000000 ] - [ -0.0006037500000000, 0.0000303800000000, -0.0000955300000000 ] - [ 0.0027881900000000, -0.0013081200000000, -0.0002783700000000 ] - [ 0.0005738600000000, 0.0007272000000000, -0.0009147200000000 ] - [ 0.0001336200000000, -0.0003893900000000, 0.0023995800000000 ] - [ -0.0002831900000000, 0.0003466700000000, -0.0004345500000000 ] - [ -0.0001251900000000, -0.0000213000000000, -0.0020759700000000 ] - [ -0.0036884400000000, 0.0003811100000000, 0.0065636800000000 ] - [ 0.0001127600000000, -0.0001930700000000, -0.0001100200000000 ] - [ -0.0585071100000000, -0.0099261400000000, 0.0600373600000000 ] - [ 0.0002953900000000, -0.0001365900000000, -0.0016271100000000 ] - [ 0.0000743900000000, 0.0000670500000000, -0.0003648200000000 ] - [ -0.0003524300000000, 0.0013195100000000, 0.0005274300000000 ] - [ 0.0130380800000000, -0.0072752700000000, -0.0023394600000000 ] - [ -0.0006322100000000, 0.0006439400000000, 0.0000207800000000 ] - [ 0.0007229900000000, -0.0005110800000000, -0.0016116200000000 ] - [ -0.0011698400000000, 0.0018333500000000, 0.0012188400000000 ] - [ -0.0010712900000000, 0.0004281600000000, -0.0025702600000000 ] - [ -0.0000285700000000, -0.0003457100000000, -0.0009136600000000 ] - [ 0.0008483000000000, 0.0012651600000000, 0.0008702500000000 ] - [ 0.0004974000000000, -0.0001793100000000, -0.0012697000000000 ] - [ 0.0004579300000000, 0.0003029500000000, 0.0007589800000000 ] - [ -0.0001592700000000, 0.0000007100000000, -0.0008623000000000 ] - [ -0.0000572100000000, -0.0000089400000000, 0.0008784100000000 ] - [ -0.0003994200000000, 0.0001271700000000, 0.0008701300000000 ] - [ 0.0007229000000000, -0.0002493200000000, 0.0001702300000000 ] - [ -0.0340417000000000, 0.0067820400000000, 0.0139082400000000 ] - [ -0.0010963600000000, -0.0009966400000000, -0.0009837200000000 ] - [ -0.0007303900000000, -0.0004896400000000, 0.0002798500000000 ] - [ 0.0826759600000000, 0.0249889900000000, -0.0833683500000000 ] - [ -0.0000336900000000, 0.0011053900000000, 0.0001974200000000 ] - [ 0.0017859600000000, 0.0025568800000000, -0.0004951600000000 ] - [ -0.0001271100000000, -0.0004809800000000, 0.0008670000000000 ] - [ -0.0073340400000000, 0.0002354500000000, 0.0012207500000000 ] - [ 0.0003080300000000, -0.0002035300000000, 0.0002103600000000 ] - [ -0.0001550000000000, -0.0004647200000000, -0.0014485600000000 ] - [ -0.0003727700000000, -0.0003004500000000, 0.0002157600000000 ] - [ 0.0000206900000000, -0.0002267000000000, 0.0000313600000000 ] - [ -0.0006195400000000, 0.0010122500000000, 0.0031347000000000 ] - [ 0.0003519700000000, -0.0007838500000000, -0.0003966600000000 ] - [ 0.0004403400000000, -0.0000404700000000, -0.0001175200000000 ] - [ -0.0004479500000000, 0.0006394200000000, 0.0010919100000000 ] - [ -0.0007266000000000, 0.0016083700000000, -0.0010403200000000 ] - [ -0.0045425800000000, -0.0052419200000000, -0.0096984300000000 ] - [ 0.0004284900000000, 0.0003244100000000, 0.0002082900000000 ] - [ -0.0002599400000000, -0.0002643100000000, -0.0009334900000000 ] - [ -0.0020842600000000, -0.0028934400000000, 0.0014892300000000 ] - [ -0.0000274100000000, -0.0001356600000000, 0.0003913200000000 ] - [ -0.0002358400000000, -0.0003397600000000, 0.0000028500000000 ] - [ -0.0005415000000000, 0.0000795700000000, -0.0002589900000000 ] - [ 0.0007683400000000, -0.0003163000000000, -0.0007676400000000 ] - [ -0.0002566600000000, -0.0000664700000000, 0.0001679100000000 ] - [ 0.0010901400000000, -0.0028926500000000, -0.0027437500000000 ] - [ -0.0030469300000000, -0.0079363300000000, 0.0135181500000000 ] - [ 0.0001919200000000, -0.0002076500000000, 0.0003211800000000 ] - [ 0.0007877600000000, 0.0011059200000000, 0.0012138700000000 ] - [ 0.0004234700000000, 0.0001665600000000, -0.0002430600000000 ] - [ 0.0001792200000000, 0.0006769200000000, 0.0006067500000000 ] - [ 0.0000201100000000, -0.0001363600000000, 0.0011879900000000 ] - [ -0.0004395300000000, 0.0000310800000000, 0.0004058000000000 ] - [ 0.0063486600000000, 0.0052422600000000, 0.0016256200000000 ] - [ -0.0008078400000000, -0.0001337200000000, 0.0008892600000000 ] - [ 0.0004197700000000, 0.0000770400000000, 0.0010463800000000 ] - [ -0.0000541700000000, 0.0002505400000000, 0.0003921200000000 ] - [ 0.0006546600000000, 0.0001241900000000, 0.0001303000000000 ] - [ 0.0019880600000000, -0.0011626400000000, 0.0026152900000000 ] - [ -0.0004056300000000, 0.0000511900000000, -0.0004727700000000 ] - [ 0.0003434400000000, -0.0005117500000000, -0.0012791300000000 ] - [ 0.0001120200000000, 0.0004684800000000, 0.0014406500000000 ] - [ -0.0005409700000000, -0.0004519700000000, -0.0001957300000000 ] - [ 0.0005779000000000, -0.0009213600000000, 0.0001046200000000 ] - [ -0.0002929800000000, -0.0003190400000000, -0.0001405400000000 ] - [ 0.0000029500000000, -0.0005992500000000, 0.0009821500000000 ] - [ 0.0006597600000000, -0.0006462100000000, -0.0000752900000000 ] - [ -0.0016481300000000, 0.0016039400000000, 0.0034409200000000 ] - [ 0.0002802600000000, -0.0005808800000000, -0.0012462100000000 ] - [ -0.0003949100000000, 0.0003338400000000, 0.0006540700000000 ] - [ -0.0002579500000000, -0.0001964500000000, 0.0004755000000000 ] - [ -0.0002539300000000, 0.0004790600000000, 0.0001513900000000 ] - [ -0.0019235000000000, 0.0018669600000000, -0.0034744800000000 ] - [ 0.0000788000000000, -0.0001371400000000, -0.0006192000000000 ] - [ -0.0001072500000000, 0.0004173100000000, 0.0005617000000000 ] - [ 0.0000161700000000, -0.0003998100000000, -0.0004123700000000 ] - [ 0.0000505900000000, -0.0004531100000000, -0.0000787000000000 ] - [ 0.0010932300000000, 0.0006127900000000, 0.0008430600000000 ] - [ 0.0000670100000000, -0.0011221900000000, -0.0009132600000000 ] - [ -0.0001490500000000, 0.0002920700000000, 0.0000564300000000 ] - [ 0.0001164500000000, -0.0002411400000000, 0.0009488600000000 ] - [ -0.0000158700000000, -0.0006363000000000, 0.0006347200000000 ] - [ 0.0167155400000000, -0.0050132700000000, -0.0070053100000000 ] - [ -0.0002037900000000, -0.0006532000000000, -0.0001972000000000 ] - [ -0.0003602700000000, -0.0001346200000000, 0.0009235500000000 ] - [ -0.0001322000000000, 0.0001745700000000, -0.0002340400000000 ] - [ -0.0002760000000000, -0.0000044900000000, 0.0001440900000000 ] - [ 0.0000549300000000, 0.0004356100000000, 0.0000850100000000 ] - [ 0.0002179800000000, 0.0002020300000000, 0.0001878700000000 ] - [ -0.0041982200000000, -0.0021630400000000, 0.0002935900000000 ] - [ 0.0001217400000000, 0.0005369700000000, -0.0001388700000000 ] - [ -0.0002642300000000, -0.0002428100000000, 0.0006020800000000 ] - [ -0.0007861900000000, 0.0006522200000000, 0.0006024300000000 ] - [ 0.0002483400000000, -0.0002358900000000, -0.0005872700000000 ] - [ -0.0007247900000000, -0.0003678000000000, 0.0003325000000000 ] - [ 0.0004494600000000, -0.0001849000000000, 0.0001406400000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009870800000000, -0.0010469300000000, -0.0001082100000000 ] - [ -0.0004916500000000, 0.0009130900000000, 0.0009915400000000 ] - [ 0.0000824200000000, 0.0003410400000000, -0.0001214700000000 ] - [ -0.0000172800000000, -0.0002147300000000, 0.0001558800000000 ] - [ 0.0000977100000000, -0.0007339100000000, 0.0005851700000000 ] - [ 0.0020800300000000, 0.0055607500000000, -0.0153761200000000 ] - [ -0.0002882600000000, 0.0006141400000000, 0.0030815200000000 ] - [ 0.0012668500000000, 0.0007309900000000, 0.0014805400000000 ] - [ -0.0000791800000000, -0.0000847400000000, -0.0006926800000000 ] - [ -0.0016961100000000, -0.0019831900000000, -0.0002230800000000 ] - [ -0.0004069800000000, -0.0001447300000000, 0.0029860500000000 ] - [ -0.0001771700000000, 0.0001700800000000, -0.0003606100000000 ] - [ -0.0001139000000000, -0.0000128000000000, 0.0004175900000000 ] - [ -0.0003579200000000, -0.0014146800000000, 0.0001574100000000 ] - [ 0.0019276100000000, -0.0033964100000000, -0.0025449800000000 ] - [ -0.0011948000000000, 0.0008267000000000, -0.0006139900000000 ] - [ 0.0002566300000000, -0.0018803000000000, 0.0070601600000000 ] - [ 0.0003405300000000, 0.0034201800000000, 0.0032088100000000 ] - [ -0.0000717000000000, -0.0008902800000000, -0.0003954100000000 ] - [ -0.0035325700000000, 0.0011634800000000, -0.0001788500000000 ] - [ 0.0001801200000000, -0.0005808300000000, 0.0004468200000000 ] - [ -0.0001297700000000, 0.0009707900000000, -0.0022422400000000 ] - [ -0.0004732700000000, -0.0001969400000000, 0.0009029600000000 ] - [ 0.0001246900000000, -0.0005665800000000, 0.0022454900000000 ] - [ 0.0036485100000000, 0.0002540500000000, -0.0066476100000000 ] - [ 0.0005577500000000, -0.0006612800000000, 0.0006019700000000 ] - [ 0.0579082700000000, 0.0097261400000000, -0.0587654500000000 ] - [ -0.0002961400000000, -0.0004483900000000, 0.0014673300000000 ] - [ 0.0006037900000000, 0.0007895000000000, -0.0001164900000000 ] - [ -0.0003239700000000, -0.0004629700000000, -0.0000497500000000 ] - [ -0.0137380200000000, 0.0064319600000000, 0.0018343400000000 ] - [ -0.0001285200000000, -0.0008036300000000, -0.0004827100000000 ] - [ 0.0000376400000000, 0.0006658600000000, 0.0011429100000000 ] - [ 0.0011876900000000, -0.0012800000000000, -0.0010577200000000 ] - [ 0.0003089500000000, -0.0002703600000000, 0.0030310800000000 ] - [ 0.0000347400000000, -0.0002350300000000, 0.0010772300000000 ] - [ -0.0008379500000000, -0.0006842700000000, -0.0010309800000000 ] - [ 0.0001876900000000, -0.0006712100000000, 0.0017751800000000 ] - [ 0.0003024600000000, -0.0004556000000000, -0.0002964200000000 ] - [ 0.0001519500000000, -0.0005812600000000, 0.0006961700000000 ] - [ 0.0000512300000000, 0.0001255700000000, -0.0007375200000000 ] - [ 0.0015842500000000, 0.0003157300000000, -0.0005699500000000 ] - [ 0.0004666100000000, -0.0001947400000000, -0.0004739800000000 ] - [ 0.0333191700000000, -0.0064134800000000, -0.0144990000000000 ] - [ 0.0010337100000000, 0.0011746000000000, 0.0006556500000000 ] - [ -0.0004588800000000, 0.0000458500000000, 0.0000248500000000 ] - [ -0.0823305700000000, -0.0253079700000000, 0.0825871000000000 ] - [ 0.0009922600000000, -0.0014454400000000, 0.0001010800000000 ] - [ -0.0017604800000000, -0.0026508400000000, 0.0006342400000000 ] - [ -0.0001083300000000, 0.0002841000000000, -0.0001422600000000 ] - [ 0.0082137700000000, -0.0009529100000000, -0.0011078500000000 ] - [ 0.0002337900000000, 0.0002391400000000, 0.0001963700000000 ] - [ 0.0001483900000000, 0.0003509000000000, 0.0013115400000000 ] - [ -0.0005824300000000, 0.0006335000000000, 0.0000758700000000 ] - [ 0.0000409900000000, 0.0000466000000000, -0.0003563200000000 ] - [ 0.0000909000000000, -0.0001441600000000, -0.0032352400000000 ] - [ 0.0001755400000000, -0.0000780200000000, 0.0002866400000000 ] - [ 0.0005895400000000, 0.0002968400000000, 0.0002433900000000 ] - [ 0.0000969500000000, 0.0004510300000000, -0.0003478000000000 ] - [ 0.0004873000000000, -0.0014098100000000, 0.0003138800000000 ] - [ 0.0047464600000000, 0.0054207400000000, 0.0104871400000000 ] - [ 0.0004991000000000, 0.0003942300000000, -0.0003204300000000 ] - [ -0.0000899700000000, -0.0008236900000000, 0.0001896900000000 ] - [ 0.0011134900000000, 0.0025338900000000, -0.0017726200000000 ] - [ -0.0000338500000000, -0.0000449500000000, -0.0000667200000000 ] - [ -0.0002899100000000, -0.0005249600000000, 0.0001072200000000 ] - [ -0.0004863400000000, 0.0001756500000000, 0.0001343800000000 ] - [ -0.0004027000000000, -0.0007798300000000, 0.0015065500000000 ] - [ -0.0002850300000000, 0.0001002800000000, -0.0005761200000000 ] - [ -0.0010427100000000, 0.0031482000000000, 0.0030541900000000 ] - [ 0.0024527500000000, 0.0077645900000000, -0.0129311600000000 ] - [ 0.0000430600000000, 0.0000114000000000, -0.0010492600000000 ] - [ -0.0002663900000000, -0.0002491100000000, -0.0010983600000000 ] - [ 0.0005349200000000, 0.0001717900000000, -0.0000488800000000 ] - [ 0.0001717700000000, 0.0004137900000000, -0.0013543300000000 ] - [ -0.0000144800000000, 0.0002549000000000, -0.0013351000000000 ] - [ -0.0004885700000000, 0.0006888200000000, -0.0002958100000000 ] - [ -0.0058585200000000, -0.0053090200000000, -0.0020084700000000 ] - [ -0.0002222600000000, -0.0001233400000000, -0.0007639300000000 ] - [ 0.0006089400000000, -0.0003340400000000, -0.0011711000000000 ] - [ 0.0000508800000000, -0.0001352600000000, -0.0002469900000000 ] - [ 0.0005407100000000, 0.0003228100000000, 0.0001666200000000 ] - [ -0.0007874000000000, 0.0007130900000000, -0.0029072700000000 ] - [ -0.0007874700000000, 0.0003945500000000, 0.0001734600000000 ] - [ -0.0004042000000000, 0.0006810300000000, 0.0009434100000000 ] - [ -0.0013049000000000, -0.0009145000000000, -0.0011361800000000 ] - [ -0.0003902000000000, -0.0002666300000000, 0.0000847600000000 ] - [ 0.0003774800000000, 0.0005855200000000, 0.0001917900000000 ] - [ 0.0002939100000000, 0.0002028000000000, 0.0002791700000000 ] - [ -0.0002364200000000, 0.0003958400000000, -0.0002528900000000 ] - [ 0.0002673200000000, -0.0000715100000000, 0.0001860900000000 ] - [ 0.0022015600000000, -0.0015811600000000, -0.0030516700000000 ] - [ -0.0002859300000000, 0.0004718800000000, 0.0011155500000000 ] - [ -0.0005629300000000, 0.0000006100000000, -0.0003678600000000 ] - [ 0.0003187300000000, 0.0000165000000000, -0.0008020600000000 ] - [ -0.0002733100000000, 0.0003839000000000, -0.0002673300000000 ] - [ 0.0024630300000000, -0.0027477100000000, 0.0033905700000000 ] - [ 0.0009240200000000, 0.0003878200000000, 0.0007399000000000 ] - [ -0.0002393300000000, 0.0006701700000000, 0.0001827400000000 ] - [ -0.0002521400000000, 0.0006128500000000, -0.0003216300000000 ] - [ 0.0001826700000000, 0.0006530200000000, 0.0008061400000000 ] - [ -0.0001613600000000, 0.0001046700000000, -0.0009541500000000 ] - [ -0.0004176200000000, 0.0000470300000000, 0.0001693900000000 ] - [ -0.0008086500000000, -0.0006298600000000, -0.0003526200000000 ] - [ -0.0001763000000000, 0.0000623500000000, -0.0006261800000000 ] - [ -0.0005203400000000, -0.0002254600000000, -0.0005377000000000 ] - [ -0.0177758900000000, 0.0052596100000000, 0.0068844000000000 ] - [ 0.0005465100000000, -0.0004329400000000, 0.0009422900000000 ] - [ -0.0001829900000000, 0.0001690400000000, -0.0013378800000000 ] - [ 0.0001895900000000, 0.0000055400000000, 0.0005597400000000 ] - [ -0.0002683300000000, -0.0000298000000000, 0.0002577500000000 ] - [ 0.0001787100000000, -0.0006367200000000, -0.0008123900000000 ] - [ 0.0003087900000000, 0.0006609300000000, -0.0000720900000000 ] - [ 0.0051847400000000, 0.0025181300000000, -0.0005853000000000 ] - [ 0.0002248600000000, 0.0005507300000000, -0.0006060800000000 ] - [ 0.0002653700000000, 0.0003575300000000, -0.0007445700000000 ] - [ -0.0001436200000000, 0.0000650700000000, -0.0004916100000000 ] - [ 0.0002927900000000, 0.0002010300000000, 0.0001867800000000 ] - [ -0.0003011000000000, 0.0001138500000000, -0.0002081100000000 ] - [ 0.0005773200000000, -0.0000698500000000, -0.0002669800000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006044600000000, 0.0016247900000000, 0.0001477900000000 ] - [ 0.0001072700000000, 0.0003225100000000, -0.0000786700000000 ] - [ -0.0028230000000000, -0.0008267100000000, 0.0004073100000000 ] - [ -0.0007408200000000, -0.0002352700000000, -0.0001807100000000 ] - [ 0.0020327600000000, 0.0009249800000000, 0.0010934800000000 ] - [ 0.0067443000000000, -0.0029111800000000, 0.0072413000000000 ] - [ 0.0046604000000000, 0.0006479400000000, -0.0051428100000000 ] - [ 0.0004458800000000, 0.0004931400000000, -0.0001557500000000 ] - [ 0.0008954200000000, 0.0010826400000000, -0.0005120500000000 ] - [ -0.0017969400000000, 0.0013323500000000, 0.0003624300000000 ] - [ -0.0041264000000000, 0.0006750500000000, -0.0008496300000000 ] - [ -0.0010040700000000, 0.0014862500000000, -0.0000868600000000 ] - [ -0.0024147000000000, 0.0012451500000000, 0.0001720700000000 ] - [ 0.0017290900000000, -0.0007136200000000, -0.0006253300000000 ] - [ -0.0027582900000000, -0.0021056200000000, 0.0001243700000000 ] - [ 0.0564780700000000, -0.0682384000000000, 0.0106613900000000 ] - [ 0.0022742400000000, -0.0005142100000000, -0.0007438800000000 ] - [ 0.1401027000000000, -0.1386067100000000, -0.0087045400000000 ] - [ 0.0040914600000000, 0.0037457200000000, -0.0003175900000000 ] - [ -0.0020962300000000, 0.0007777500000000, 0.0008038200000000 ] - [ 0.0003096600000000, 0.0017347200000000, -0.0001784100000000 ] - [ 0.0000072300000000, 0.0019086200000000, 0.0005161700000000 ] - [ -0.0002334600000000, 0.0014815500000000, 0.0000146400000000 ] - [ 0.0009964400000000, 0.0004431100000000, 0.0000439800000000 ] - [ 0.0000642700000000, 0.0012292600000000, -0.0000937200000000 ] - [ 0.0016765300000000, -0.0001833700000000, 0.0000995500000000 ] - [ 0.0020745300000000, -0.0010975900000000, -0.0005815100000000 ] - [ -0.0009405200000000, 0.0022778700000000, -0.0008957300000000 ] - [ -0.0000692900000000, 0.0011694000000000, -0.0004050200000000 ] - [ -0.0010115800000000, 0.0020359300000000, 0.0003285700000000 ] - [ -0.0033530400000000, -0.0017805200000000, 0.0001545000000000 ] - [ -0.0007499200000000, 0.0029064200000000, -0.0019835000000000 ] - [ -0.0033434100000000, -0.0102237700000000, -0.0257744500000000 ] - [ -0.0011628400000000, -0.0049722200000000, -0.0130934400000000 ] - [ -0.0019966500000000, -0.0028454800000000, 0.0029779100000000 ] - [ -0.0010153100000000, -0.0053221200000000, -0.0030267600000000 ] - [ -0.0011448500000000, -0.0013601400000000, 0.0009539600000000 ] - [ -0.0006938700000000, -0.0006686900000000, -0.0005996700000000 ] - [ 0.0004345000000000, -0.0020593800000000, -0.0004449100000000 ] - [ 0.0013961800000000, 0.0050675500000000, 0.0124053200000000 ] - [ 0.0004296200000000, -0.0007608400000000, -0.0000899300000000 ] - [ 0.0012007600000000, 0.0003772100000000, -0.0001912100000000 ] - [ 0.0008929600000000, -0.0006110700000000, 0.0001287100000000 ] - [ -0.0002011500000000, 0.0008252100000000, 0.0001320200000000 ] - [ 0.0002321500000000, 0.0014590100000000, -0.0013536400000000 ] - [ -0.0005479300000000, -0.0006718100000000, 0.0000101800000000 ] - [ -0.0026878000000000, -0.0004999400000000, -0.0005690600000000 ] - [ -0.2409845300000000, 0.2692295300000000, -0.0049193400000000 ] - [ -0.0000057100000000, -0.0003256800000000, 0.0002604300000000 ] - [ 0.0000105600000000, -0.0014970500000000, 0.0009571700000000 ] - [ 0.0014033700000000, -0.0011517700000000, -0.0015473100000000 ] - [ -0.0006213700000000, -0.0010607300000000, -0.0006269600000000 ] - [ 0.0002444200000000, -0.0008530600000000, -0.0005368600000000 ] - [ -0.0012023300000000, 0.0006158100000000, 0.0003066600000000 ] - [ -0.0021464900000000, -0.0028663900000000, -0.0020264000000000 ] - [ -0.0012601100000000, 0.0008785800000000, 0.0007913800000000 ] - [ -0.0002710000000000, -0.0019988400000000, 0.0005480500000000 ] - [ 0.0000848100000000, -0.0008943200000000, 0.0004191300000000 ] - [ 0.0004870300000000, -0.0007019000000000, 0.0010834500000000 ] - [ 0.0000776700000000, -0.0007136600000000, -0.0002690400000000 ] - [ -0.0001406700000000, -0.0001935300000000, 0.0003476500000000 ] - [ 0.0000895500000000, -0.0000817100000000, -0.0001598500000000 ] - [ -0.0006060500000000, -0.0011782600000000, -0.0004154200000000 ] - [ -0.0011632200000000, 0.0000116200000000, 0.0000917900000000 ] - [ -0.0012738700000000, 0.0014934100000000, 0.0003335600000000 ] - [ -0.0006233300000000, -0.0008152100000000, -0.0000023800000000 ] - [ -0.0009176200000000, 0.0004225000000000, 0.0000183800000000 ] - [ 0.0002452300000000, -0.0010965700000000, 0.0003852700000000 ] - [ -0.0007033000000000, -0.0002606100000000, -0.0003936200000000 ] - [ -0.0021762000000000, 0.0037740900000000, 0.0048825100000000 ] - [ -0.0009354600000000, 0.0005296500000000, 0.0006238000000000 ] - [ 0.0000371100000000, -0.0010484400000000, -0.0005640500000000 ] - [ -0.0057627800000000, -0.0075358400000000, 0.0033585100000000 ] - [ -0.0049357600000000, -0.0066638600000000, 0.0003690800000000 ] - [ -0.0011230400000000, 0.0000835800000000, 0.0003399800000000 ] - [ -0.0002221800000000, -0.0002910300000000, 0.0001754400000000 ] - [ -0.0003798900000000, -0.0004528500000000, 0.0001120100000000 ] - [ -0.0013744800000000, -0.0157631200000000, -0.0119790600000000 ] - [ -0.0023326100000000, -0.0006146300000000, 0.0048286300000000 ] - [ -0.0007445100000000, 0.0022688000000000, -0.0020156900000000 ] - [ 0.0083971800000000, -0.0112055600000000, -0.0119785900000000 ] - [ -0.0000127600000000, -0.0003831300000000, 0.0009279700000000 ] - [ -0.0000361300000000, 0.0004962500000000, -0.0011372400000000 ] - [ -0.0019698800000000, 0.0004729500000000, 0.0005503500000000 ] - [ -0.0001194700000000, -0.0004514100000000, -0.0001165000000000 ] - [ 0.0364563600000000, -0.0155446200000000, 0.0219698400000000 ] - [ -0.0000679300000000, -0.0000800600000000, 0.0000440900000000 ] - [ 0.0011682500000000, -0.0012629500000000, 0.0001069600000000 ] - [ 0.0001738000000000, 0.0004375500000000, -0.0002185100000000 ] - [ -0.0002079200000000, 0.0018734400000000, -0.0021825500000000 ] - [ 0.0012119800000000, -0.0012893200000000, 0.0003860900000000 ] - [ 0.0018402200000000, 0.0004408100000000, -0.0004049300000000 ] - [ 0.0076831100000000, -0.0033546000000000, 0.0131266800000000 ] - [ -0.0000726700000000, -0.0001517200000000, 0.0003249000000000 ] - [ 0.0005621000000000, -0.0011038100000000, 0.0002296500000000 ] - [ 0.0001962500000000, 0.0000748200000000, -0.0002672700000000 ] - [ 0.0016218600000000, 0.0002404700000000, -0.0004649300000000 ] - [ 0.0012619200000000, 0.0001856100000000, -0.0002767700000000 ] - [ 0.0023982500000000, -0.0014815300000000, -0.0023870100000000 ] - [ -0.0003890200000000, -0.0014737000000000, 0.0023461400000000 ] - [ 0.0003116500000000, 0.0016319200000000, 0.0001503400000000 ] - [ 0.0020886300000000, 0.0014713000000000, -0.0001413900000000 ] - [ 0.0023976100000000, 0.0016318800000000, 0.0016175000000000 ] - [ -0.0005047000000000, -0.0005680700000000, -0.0001155700000000 ] - [ 0.0000816000000000, 0.0000158100000000, 0.0001981800000000 ] - [ 0.0003363400000000, 0.0001560500000000, 0.0006211000000000 ] - [ -0.0007490700000000, 0.0008314600000000, -0.0000826900000000 ] - [ 0.0011090800000000, -0.0002685700000000, 0.0000482200000000 ] - [ 0.0002769300000000, -0.0001108000000000, 0.0006354300000000 ] - [ 0.0004722100000000, -0.0006130100000000, 0.0000854900000000 ] - [ -0.0000665100000000, -0.0002955500000000, 0.0003755800000000 ] - [ 0.0007205800000000, 0.0059735600000000, 0.0038453200000000 ] - [ 0.0007140000000000, -0.0001680400000000, 0.0001204900000000 ] - [ 0.0015417300000000, 0.0005990900000000, -0.0002777600000000 ] - [ 0.0018491700000000, 0.0019905700000000, -0.0001633300000000 ] - [ -0.0000125100000000, 0.0008173600000000, 0.0012395600000000 ] - [ 0.0046972300000000, 0.0010351200000000, 0.0047261000000000 ] - [ 0.0006274600000000, -0.0005693600000000, -0.0002761000000000 ] - [ -0.0005410700000000, -0.0008382700000000, 0.0001008100000000 ] - [ 0.0008120700000000, -0.0004759200000000, -0.0001631800000000 ]- atom: 48 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004475500000000, -0.0016155900000000, -0.0001451400000000 ] - [ -0.0002613500000000, -0.0003216100000000, 0.0000787000000000 ] - [ 0.0029712400000000, 0.0008347900000000, -0.0004104200000000 ] - [ 0.0005854700000000, 0.0002354800000000, 0.0001821200000000 ] - [ -0.0020281200000000, -0.0017541800000000, -0.0010986900000000 ] - [ -0.0067219300000000, 0.0037508200000000, -0.0072009100000000 ] - [ -0.0046603300000000, -0.0002711900000000, 0.0050738300000000 ] - [ 0.0007282300000000, -0.0004935500000000, 0.0001556800000000 ] - [ -0.0008916500000000, -0.0014699200000000, 0.0005184100000000 ] - [ 0.0006144900000000, -0.0013349300000000, -0.0003634100000000 ] - [ 0.0041344200000000, -0.0015312500000000, 0.0008628700000000 ] - [ 0.0009995700000000, -0.0006432600000000, 0.0000866600000000 ] - [ 0.0024108900000000, -0.0008439900000000, -0.0001702000000000 ] - [ -0.0005579500000000, 0.0007126700000000, 0.0006311600000000 ] - [ 0.0027495600000000, 0.0017070200000000, -0.0001319900000000 ] - [ -0.0566803400000000, 0.0652662100000000, -0.0102444300000000 ] - [ -0.0015968500000000, 0.0013634000000000, 0.0002600900000000 ] - [ -0.1432774400000000, 0.1460111200000000, 0.0095230500000000 ] - [ -0.0047974500000000, -0.0046267900000000, -0.0001735700000000 ] - [ 0.0013240100000000, -0.0009302800000000, -0.0012616800000000 ] - [ 0.0004524400000000, -0.0015761400000000, -0.0002881400000000 ] - [ -0.0000165600000000, -0.0013218100000000, -0.0003503400000000 ] - [ -0.0005273600000000, -0.0013237700000000, 0.0004503300000000 ] - [ -0.0009759900000000, -0.0010253700000000, 0.0001173700000000 ] - [ -0.0000549300000000, -0.0006459000000000, -0.0000694200000000 ] - [ -0.0009979500000000, -0.0006681900000000, 0.0003899300000000 ] - [ -0.0013019200000000, 0.0009375900000000, 0.0010379900000000 ] - [ 0.0009079400000000, -0.0028652800000000, 0.0007318600000000 ] - [ 0.0007431300000000, -0.0003089400000000, -0.0000797700000000 ] - [ 0.0003364800000000, -0.0011710100000000, 0.0001561300000000 ] - [ 0.0026765400000000, 0.0008984200000000, -0.0006523000000000 ] - [ -0.0000051100000000, -0.0030450300000000, 0.0015136100000000 ] - [ 0.0040595600000000, 0.0104624800000000, 0.0254804400000000 ] - [ 0.0011853600000000, 0.0055097300000000, 0.0131955400000000 ] - [ 0.0012552900000000, 0.0029771800000000, -0.0025109100000000 ] - [ 0.0010165900000000, 0.0047468000000000, 0.0031963100000000 ] - [ 0.0011327200000000, 0.0019387800000000, -0.0011140200000000 ] - [ 0.0013654200000000, -0.0001933300000000, 0.0010922300000000 ] - [ 0.0003148200000000, 0.0019044800000000, 0.0009150400000000 ] - [ -0.0013871000000000, -0.0056346400000000, -0.0125263400000000 ] - [ -0.0004258200000000, 0.0008763500000000, 0.0002342000000000 ] - [ -0.0000049800000000, 0.0000703500000000, 0.0004873700000000 ] - [ 0.0002992700000000, 0.0001644100000000, -0.0004293100000000 ] - [ -0.0009973800000000, -0.0003718100000000, -0.0004259500000000 ] - [ -0.0002869500000000, -0.0012715800000000, 0.0010208200000000 ] - [ -0.0006461900000000, 0.0002243800000000, 0.0002904700000000 ] - [ 0.0017494500000000, -0.0002177900000000, 0.0004569900000000 ] - [ 0.2441037600000000, -0.2734477200000000, 0.0046049900000000 ] - [ 0.0000077900000000, 0.0002093600000000, -0.0001185300000000 ] - [ -0.0002415900000000, 0.0012943800000000, -0.0002289800000000 ] - [ -0.0004694600000000, 0.0004309400000000, 0.0016504700000000 ] - [ 0.0011657800000000, 0.0010970600000000, 0.0010396600000000 ] - [ -0.0002446000000000, 0.0007351400000000, 0.0003938500000000 ] - [ 0.0002447600000000, -0.0002801300000000, -0.0000141500000000 ] - [ 0.0021919600000000, 0.0026722600000000, 0.0016956000000000 ] - [ 0.0007332800000000, -0.0000103300000000, -0.0009033700000000 ] - [ 0.0008011100000000, 0.0011388500000000, -0.0006655100000000 ] - [ 0.0009381500000000, 0.0011446600000000, -0.0002948700000000 ] - [ -0.0008186800000000, 0.0017838800000000, -0.0003260000000000 ] - [ -0.0003102900000000, 0.0009125700000000, -0.0004589700000000 ] - [ 0.0003724800000000, 0.0003951500000000, 0.0003809300000000 ] - [ 0.0008395900000000, 0.0007974900000000, 0.0000495600000000 ] - [ 0.0002583900000000, 0.0000882900000000, -0.0003301600000000 ] - [ 0.0002064100000000, -0.0003461900000000, -0.0003875300000000 ] - [ 0.0012158100000000, -0.0016793100000000, -0.0000089500000000 ] - [ 0.0000947100000000, -0.0000515100000000, 0.0001132100000000 ] - [ -0.0001092300000000, -0.0001677100000000, -0.0001452200000000 ] - [ 0.0001001500000000, 0.0000069000000000, 0.0003578500000000 ] - [ 0.0001602000000000, 0.0002922200000000, -0.0000131600000000 ] - [ 0.0022001300000000, -0.0035755700000000, -0.0045555500000000 ] - [ 0.0003914500000000, -0.0005610500000000, -0.0002218000000000 ] - [ 0.0001942900000000, 0.0008459000000000, -0.0001639000000000 ] - [ 0.0064388700000000, 0.0083052400000000, -0.0031746700000000 ] - [ 0.0058771300000000, 0.0070536200000000, -0.0006608400000000 ] - [ 0.0014589800000000, 0.0010005100000000, -0.0010779500000000 ] - [ 0.0002220100000000, 0.0004065200000000, -0.0003159200000000 ] - [ -0.0005523600000000, 0.0011676100000000, 0.0000008400000000 ] - [ 0.0020457700000000, 0.0158415300000000, 0.0116521300000000 ] - [ 0.0013414900000000, 0.0003741000000000, -0.0047296700000000 ] - [ 0.0017508800000000, -0.0025138200000000, 0.0018979900000000 ] - [ -0.0083141200000000, 0.0112113900000000, 0.0120293500000000 ] - [ 0.0012025100000000, 0.0008255800000000, -0.0006259800000000 ] - [ 0.0012237500000000, -0.0009372200000000, 0.0008355700000000 ] - [ 0.0007840800000000, -0.0000278200000000, -0.0008538100000000 ] - [ 0.0000565800000000, 0.0006288700000000, -0.0002082300000000 ] - [ -0.0386187800000000, 0.0154946600000000, -0.0220359600000000 ] - [ -0.0008564700000000, -0.0006377900000000, -0.0001559200000000 ] - [ -0.0002086200000000, 0.0009223700000000, 0.0001872600000000 ] - [ -0.0001681800000000, -0.0005520100000000, 0.0003559300000000 ] - [ -0.0000309400000000, -0.0020635100000000, 0.0029005200000000 ] - [ -0.0002826500000000, 0.0005672000000000, -0.0002732000000000 ] - [ -0.0012972300000000, -0.0003978400000000, 0.0008111200000000 ] - [ -0.0076147000000000, 0.0031677700000000, -0.0131498200000000 ] - [ -0.0008851600000000, 0.0004909900000000, -0.0000323200000000 ] - [ -0.0004928700000000, 0.0009360500000000, -0.0005575200000000 ] - [ -0.0007222300000000, 0.0007857200000000, 0.0001515400000000 ] - [ -0.0010942200000000, -0.0010974700000000, 0.0003581000000000 ] - [ -0.0002281000000000, 0.0000720100000000, 0.0004020500000000 ] - [ -0.0027368200000000, 0.0025611300000000, 0.0031174700000000 ] - [ 0.0001486600000000, 0.0016691700000000, -0.0030591100000000 ] - [ -0.0000725800000000, -0.0014319600000000, 0.0005753500000000 ] - [ -0.0011670800000000, -0.0007494600000000, 0.0000267300000000 ] - [ -0.0027425300000000, -0.0027108000000000, -0.0023516600000000 ] - [ -0.0004535800000000, 0.0002289500000000, -0.0001787100000000 ] - [ -0.0001493900000000, -0.0001905700000000, 0.0001259200000000 ] - [ -0.0008617800000000, -0.0010172700000000, -0.0005087000000000 ] - [ -0.0002824000000000, -0.0005720400000000, -0.0000408300000000 ] - [ -0.0007540900000000, -0.0008210900000000, 0.0006988200000000 ] - [ -0.0008192200000000, 0.0001483300000000, -0.0010460100000000 ] - [ -0.0004076800000000, 0.0007894800000000, 0.0002388800000000 ] - [ -0.0004753000000000, 0.0002602700000000, 0.0000288700000000 ] - [ -0.0004815200000000, -0.0061965600000000, -0.0045872700000000 ] - [ -0.0001871100000000, 0.0010262000000000, -0.0000054900000000 ] - [ -0.0005796700000000, -0.0002517300000000, -0.0000137200000000 ] - [ -0.0015010400000000, -0.0009055600000000, -0.0005830800000000 ] - [ 0.0000168800000000, -0.0007016900000000, -0.0013865800000000 ] - [ -0.0056632600000000, -0.0003291900000000, -0.0046570100000000 ] - [ -0.0000848700000000, 0.0005325600000000, -0.0001277300000000 ] - [ -0.0004884400000000, 0.0005791900000000, 0.0000245700000000 ] - [ 0.0002173400000000, 0.0002175200000000, 0.0000369200000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005279000000000, -0.0043113900000000, -0.0007982000000000 ] - [ -0.0002253700000000, -0.0007939200000000, 0.0002142700000000 ] - [ 0.0018668000000000, 0.0012062400000000, -0.0001430500000000 ] - [ 0.0003142400000000, 0.0005302200000000, 0.0000382800000000 ] - [ -0.0010945000000000, -0.0036686200000000, -0.0030796800000000 ] - [ -0.0072890100000000, 0.0046879000000000, -0.0130494700000000 ] - [ -0.0037672700000000, 0.0015973200000000, 0.0168038700000000 ] - [ 0.0003170100000000, -0.0011359400000000, 0.0003949200000000 ] - [ -0.0001384600000000, -0.0032339800000000, 0.0024804200000000 ] - [ 0.0011265500000000, -0.0027681900000000, -0.0006497400000000 ] - [ 0.0021008500000000, 0.0004385000000000, 0.0009490400000000 ] - [ 0.0003370400000000, -0.0017796400000000, 0.0005330700000000 ] - [ 0.0017931800000000, -0.0019758600000000, -0.0004483400000000 ] - [ 0.0004176300000000, 0.0016888800000000, -0.0000132400000000 ] - [ 0.0018751600000000, 0.0030107400000000, -0.0005299700000000 ] - [ -0.0650966700000000, 0.1054352300000000, -0.0135745100000000 ] - [ -0.0006141900000000, 0.0028197700000000, 0.0003361300000000 ] - [ -0.1418865800000000, 0.2595484200000000, 0.0137393900000000 ] - [ -0.0131819500000000, -0.0163106800000000, -0.0003868700000000 ] - [ 0.0026467400000000, -0.0017230800000000, -0.0021618500000000 ] - [ 0.0008952300000000, -0.0037524400000000, -0.0005471400000000 ] - [ -0.0003746600000000, -0.0033407400000000, -0.0007166200000000 ] - [ -0.0009750500000000, -0.0033551000000000, 0.0002437900000000 ] - [ -0.0033164900000000, -0.0029800900000000, 0.0008952800000000 ] - [ 0.0003433800000000, -0.0024964300000000, -0.0005407300000000 ] - [ -0.0006913400000000, -0.0009721700000000, 0.0001961300000000 ] - [ -0.0029834100000000, -0.0009572200000000, -0.0011235600000000 ] - [ 0.0045419000000000, -0.0042104900000000, 0.0011776900000000 ] - [ 0.0005548200000000, -0.0012784100000000, -0.0000953900000000 ] - [ 0.0004395900000000, -0.0026420200000000, 0.0001495000000000 ] - [ -0.0006738100000000, 0.0013900400000000, -0.0004453900000000 ] - [ 0.0006910700000000, -0.0016137400000000, 0.0021511600000000 ] - [ 0.0025527900000000, 0.0132048700000000, 0.0119458400000000 ] - [ -0.0005856800000000, 0.0096674200000000, 0.0125590300000000 ] - [ -0.0008742400000000, 0.0070890300000000, -0.0003393900000000 ] - [ -0.0006811500000000, 0.0019088700000000, -0.0006035600000000 ] - [ 0.0008361000000000, 0.0064736700000000, 0.0016911700000000 ] - [ 0.0014888200000000, 0.0002515800000000, 0.0007530400000000 ] - [ -0.0018243700000000, 0.0005072400000000, 0.0041808300000000 ] - [ 0.0003343300000000, -0.0042331400000000, -0.0144275800000000 ] - [ -0.0012695700000000, 0.0016228600000000, 0.0002160600000000 ] - [ -0.0003600000000000, -0.0000309100000000, 0.0008777000000000 ] - [ 0.0002983500000000, 0.0005308500000000, -0.0004665000000000 ] - [ 0.0006019200000000, 0.0001116000000000, 0.0002535000000000 ] - [ -0.0016069200000000, -0.0037436900000000, 0.0015399000000000 ] - [ -0.0005927500000000, 0.0008300600000000, 0.0005752200000000 ] - [ 0.0026474300000000, 0.0005085200000000, 0.0012191200000000 ] - [ 0.2748295200000000, -0.4372689600000000, 0.0040443800000000 ] - [ -0.0000054600000000, 0.0006657300000000, -0.0001500700000000 ] - [ -0.0006370800000000, 0.0028464200000000, -0.0007133700000000 ] - [ -0.0013293400000000, 0.0010386200000000, 0.0027701000000000 ] - [ 0.0020413600000000, 0.0035355300000000, 0.0032025700000000 ] - [ -0.0003441900000000, 0.0016077000000000, 0.0009556300000000 ] - [ -0.0000317100000000, -0.0002435000000000, 0.0000878800000000 ] - [ 0.0008615800000000, 0.0023905500000000, 0.0025104400000000 ] - [ 0.0003900100000000, -0.0004658100000000, -0.0014345300000000 ] - [ 0.0014588600000000, 0.0050527100000000, -0.0028061400000000 ] - [ 0.0001813500000000, 0.0009237100000000, -0.0010886000000000 ] - [ -0.0034299600000000, 0.0033138400000000, -0.0023653200000000 ] - [ -0.0003987000000000, 0.0018248300000000, -0.0006159700000000 ] - [ 0.0005349900000000, 0.0019032600000000, 0.0010378200000000 ] - [ 0.0012440700000000, 0.0017298300000000, 0.0004092200000000 ] - [ 0.0008192400000000, 0.0011002600000000, -0.0004892500000000 ] - [ -0.0006568900000000, -0.0015991500000000, -0.0002624300000000 ] - [ 0.0011981500000000, -0.0008808800000000, 0.0008435800000000 ] - [ -0.0000003900000000, 0.0003165300000000, 0.0000410600000000 ] - [ -0.0002165200000000, 0.0004870400000000, -0.0011187600000000 ] - [ -0.0005362200000000, 0.0009375900000000, 0.0002457400000000 ] - [ 0.0000382500000000, 0.0005616500000000, 0.0002653200000000 ] - [ 0.0035892300000000, -0.0063111800000000, -0.0012222400000000 ] - [ 0.0001983500000000, -0.0008690100000000, 0.0002656500000000 ] - [ 0.0003972600000000, 0.0024174100000000, 0.0001538700000000 ] - [ -0.0141950200000000, 0.0325294100000000, -0.0175117000000000 ] - [ 0.0073286700000000, 0.0267251800000000, -0.0022941200000000 ] - [ 0.0034524200000000, 0.0024721000000000, -0.0024924500000000 ] - [ 0.0007230200000000, 0.0010894600000000, -0.0010324300000000 ] - [ -0.0011554400000000, 0.0021842000000000, 0.0000520300000000 ] - [ -0.0144259700000000, 0.0165284400000000, 0.0195198500000000 ] - [ -0.0021527900000000, -0.0034814800000000, -0.0031414300000000 ] - [ 0.0035516400000000, -0.0040524400000000, -0.0020654600000000 ] - [ -0.0106228900000000, 0.0080300700000000, 0.0120179300000000 ] - [ 0.0010122200000000, 0.0006270300000000, -0.0007162000000000 ] - [ 0.0014489500000000, -0.0015457400000000, -0.0000693400000000 ] - [ 0.0027869600000000, 0.0008017900000000, -0.0026448700000000 ] - [ 0.0003103400000000, 0.0013049700000000, -0.0002177500000000 ] - [ -0.0170634000000000, -0.0062526400000000, -0.0100039600000000 ] - [ 0.0004695200000000, -0.0000240400000000, -0.0008071100000000 ] - [ -0.0006132500000000, 0.0019678700000000, 0.0001960600000000 ] - [ -0.0002982200000000, -0.0013675200000000, -0.0000836600000000 ] - [ -0.0000622200000000, -0.0043958900000000, 0.0035214400000000 ] - [ -0.0002500800000000, 0.0003440200000000, -0.0004044100000000 ] - [ 0.0000331200000000, -0.0006562400000000, 0.0002020400000000 ] - [ -0.0086788200000000, -0.0009252500000000, -0.0128740800000000 ] - [ -0.0007988600000000, 0.0004546900000000, 0.0000119500000000 ] - [ -0.0010965000000000, 0.0001862500000000, -0.0005144700000000 ] - [ -0.0006610200000000, 0.0011737100000000, 0.0004321900000000 ] - [ -0.0001844200000000, -0.0018292000000000, 0.0006262400000000 ] - [ -0.0005232700000000, -0.0000149600000000, 0.0007330100000000 ] - [ -0.0027967700000000, 0.0024487600000000, 0.0033749400000000 ] - [ 0.0000853300000000, 0.0000597400000000, -0.0025267200000000 ] - [ 0.0012278700000000, -0.0021531600000000, -0.0019175700000000 ] - [ -0.0001820000000000, -0.0014606500000000, -0.0002205700000000 ] - [ -0.0022475700000000, -0.0034365300000000, -0.0023945400000000 ] - [ -0.0000804700000000, 0.0009445600000000, -0.0001975800000000 ] - [ 0.0005026100000000, -0.0001292500000000, -0.0001226900000000 ] - [ -0.0007746900000000, -0.0013555200000000, -0.0003872300000000 ] - [ 0.0003685800000000, -0.0007690400000000, 0.0005189600000000 ] - [ 0.0000808000000000, -0.0021065300000000, 0.0004077500000000 ] - [ -0.0006851000000000, -0.0002219000000000, -0.0007541800000000 ] - [ -0.0006130200000000, 0.0016868900000000, 0.0002568800000000 ] - [ -0.0003607100000000, 0.0005729200000000, -0.0001308900000000 ] - [ 0.0020734300000000, -0.0056854700000000, -0.0007954100000000 ] - [ 0.0000126900000000, 0.0015818600000000, -0.0001439700000000 ] - [ 0.0000507400000000, 0.0002423900000000, -0.0000719400000000 ] - [ -0.0002712900000000, 0.0002001700000000, -0.0001583600000000 ] - [ -0.0000027600000000, -0.0008822600000000, 0.0003474500000000 ] - [ -0.0029839500000000, -0.0012890800000000, -0.0022746400000000 ] - [ -0.0000749100000000, 0.0009675100000000, -0.0000774700000000 ] - [ -0.0003606000000000, 0.0011617500000000, 0.0000133900000000 ] - [ 0.0001117600000000, 0.0009823900000000, 0.0002749700000000 ]- atom: 48 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006794400000000, 0.0043058200000000, 0.0007913800000000 ] - [ 0.0000710300000000, 0.0007955200000000, -0.0002133400000000 ] - [ -0.0017162100000000, -0.0012150700000000, 0.0001429500000000 ] - [ -0.0004684100000000, -0.0005337300000000, -0.0000383600000000 ] - [ 0.0010973700000000, 0.0028323300000000, 0.0031007700000000 ] - [ 0.0072617700000000, -0.0038269900000000, 0.0130530100000000 ] - [ 0.0037523500000000, -0.0011564500000000, -0.0167304200000000 ] - [ 0.0008544000000000, 0.0011395100000000, -0.0003929000000000 ] - [ 0.0001356900000000, 0.0028478300000000, -0.0024985100000000 ] - [ -0.0022911300000000, 0.0027771400000000, 0.0006466000000000 ] - [ -0.0021076400000000, -0.0012597600000000, -0.0009584700000000 ] - [ -0.0003344900000000, 0.0026179800000000, -0.0005369300000000 ] - [ -0.0017986800000000, 0.0023624900000000, 0.0004509700000000 ] - [ 0.0007557400000000, -0.0016967400000000, 0.0000102900000000 ] - [ -0.0018685900000000, -0.0033999300000000, 0.0005351900000000 ] - [ 0.0687891800000000, -0.1109542400000000, 0.0145437600000000 ] - [ 0.0012859500000000, -0.0019642100000000, -0.0008224400000000 ] - [ 0.1308509600000000, -0.2466502100000000, -0.0125077800000000 ] - [ 0.0125833000000000, 0.0155303900000000, -0.0001032400000000 ] - [ -0.0034050900000000, 0.0015762100000000, 0.0016942500000000 ] - [ -0.0001440900000000, 0.0039096600000000, 0.0000844000000000 ] - [ 0.0003744200000000, 0.0039299500000000, 0.0008756500000000 ] - [ 0.0002207500000000, 0.0035077400000000, 0.0002258400000000 ] - [ 0.0033100600000000, 0.0024044300000000, -0.0007254700000000 ] - [ -0.0003429100000000, 0.0030870500000000, 0.0003765600000000 ] - [ 0.0013682000000000, 0.0001107600000000, 0.0002929200000000 ] - [ 0.0037416300000000, 0.0008212700000000, 0.0015943600000000 ] - [ -0.0045241100000000, 0.0036336400000000, -0.0013372200000000 ] - [ 0.0001230400000000, 0.0021336500000000, -0.0003908800000000 ] - [ -0.0011206700000000, 0.0034991700000000, 0.0003349900000000 ] - [ 0.0000046700000000, -0.0022293100000000, -0.0000375100000000 ] - [ -0.0014549300000000, 0.0014446000000000, -0.0026232500000000 ] - [ -0.0018218700000000, -0.0130979800000000, -0.0125277300000000 ] - [ 0.0006212400000000, -0.0091508100000000, -0.0123930400000000 ] - [ 0.0001379000000000, -0.0069750900000000, 0.0007810300000000 ] - [ 0.0006876700000000, -0.0025254500000000, 0.0007541900000000 ] - [ -0.0008305600000000, -0.0059040200000000, -0.0018539900000000 ] - [ -0.0008130100000000, -0.0011026500000000, -0.0002686500000000 ] - [ 0.0025966500000000, -0.0006799600000000, -0.0037403100000000 ] - [ -0.0003525500000000, 0.0036419500000000, 0.0143012300000000 ] - [ 0.0012602300000000, -0.0015088900000000, -0.0000747800000000 ] - [ 0.0015505900000000, 0.0004730000000000, -0.0005758400000000 ] - [ 0.0008917400000000, -0.0009761500000000, 0.0001630800000000 ] - [ -0.0017936900000000, 0.0003253400000000, -0.0005592500000000 ] - [ 0.0015502600000000, 0.0039219000000000, -0.0018625400000000 ] - [ -0.0005952800000000, -0.0012766700000000, -0.0002742500000000 ] - [ -0.0035754000000000, -0.0012328500000000, -0.0013315600000000 ] - [ -0.2680277100000000, 0.4300784500000000, -0.0054154200000000 ] - [ 0.0000100400000000, -0.0007857800000000, 0.0002925600000000 ] - [ 0.0003995700000000, -0.0030476600000000, 0.0014391300000000 ] - [ 0.0022600800000000, -0.0017567300000000, -0.0026571500000000 ] - [ -0.0015134100000000, -0.0035218600000000, -0.0028204800000000 ] - [ 0.0003386000000000, -0.0017274100000000, -0.0010966500000000 ] - [ -0.0009272700000000, 0.0005845200000000, 0.0002055600000000 ] - [ -0.0007945500000000, -0.0025707800000000, -0.0028461700000000 ] - [ -0.0009157500000000, 0.0013240400000000, 0.0013205500000000 ] - [ -0.0009405500000000, -0.0059511600000000, 0.0027155500000000 ] - [ 0.0008531800000000, -0.0006648800000000, 0.0012212800000000 ] - [ 0.0030678600000000, -0.0022185100000000, 0.0030921600000000 ] - [ 0.0001639000000000, -0.0016317400000000, -0.0001091900000000 ] - [ -0.0002996900000000, -0.0017127600000000, -0.0003134600000000 ] - [ -0.0003181800000000, -0.0010140100000000, -0.0005242900000000 ] - [ -0.0011704200000000, -0.0021941900000000, -0.0002521000000000 ] - [ -0.0002983800000000, 0.0012642800000000, -0.0000307000000000 ] - [ -0.0012672600000000, 0.0007113700000000, -0.0005215000000000 ] - [ -0.0005261000000000, -0.0011813500000000, 0.0000728400000000 ] - [ -0.0008143400000000, -0.0002295600000000, 0.0009997400000000 ] - [ 0.0008892800000000, -0.0020316900000000, 0.0005014800000000 ] - [ -0.0005807900000000, -0.0005280300000000, -0.0006747200000000 ] - [ -0.0035643000000000, 0.0065062100000000, 0.0014864200000000 ] - [ -0.0007376600000000, 0.0008318400000000, 0.0001348700000000 ] - [ -0.0001602800000000, -0.0026220600000000, -0.0008831400000000 ] - [ 0.0144144800000000, -0.0309177800000000, 0.0172296600000000 ] - [ -0.0063897800000000, -0.0266910700000000, 0.0020482100000000 ] - [ -0.0030930800000000, -0.0013830400000000, 0.0017383500000000 ] - [ -0.0007165200000000, -0.0009736900000000, 0.0008854600000000 ] - [ 0.0002307100000000, -0.0014703700000000, 0.0000570000000000 ] - [ 0.0146718200000000, -0.0164458300000000, -0.0196333300000000 ] - [ 0.0011141900000000, 0.0032026700000000, 0.0032818900000000 ] - [ -0.0025399600000000, 0.0037851900000000, 0.0019752800000000 ] - [ 0.0107188300000000, -0.0079214200000000, -0.0119295200000000 ] - [ 0.0001817100000000, -0.0001796100000000, 0.0010177900000000 ] - [ -0.0002567500000000, 0.0011039200000000, -0.0002245800000000 ] - [ -0.0040043800000000, -0.0003556000000000, 0.0023605100000000 ] - [ -0.0003714100000000, -0.0011281700000000, -0.0001066500000000 ] - [ 0.0160137000000000, 0.0056385900000000, 0.0104040900000000 ] - [ -0.0014032700000000, -0.0006913700000000, 0.0006994100000000 ] - [ 0.0015720500000000, -0.0023096100000000, 0.0000982900000000 ] - [ 0.0003010600000000, 0.0012529700000000, 0.0002269100000000 ] - [ -0.0001739300000000, 0.0042152600000000, -0.0028052900000000 ] - [ 0.0011783000000000, -0.0010586600000000, 0.0005172100000000 ] - [ 0.0005065000000000, 0.0006834400000000, 0.0002033100000000 ] - [ 0.0087221700000000, 0.0008454000000000, 0.0127674400000000 ] - [ -0.0001562900000000, -0.0001226500000000, 0.0002812700000000 ] - [ 0.0011503500000000, -0.0003784600000000, 0.0001911900000000 ] - [ 0.0001348000000000, -0.0003095300000000, -0.0005463700000000 ] - [ 0.0007109300000000, 0.0009611500000000, -0.0007423300000000 ] - [ 0.0015484400000000, 0.0002670300000000, -0.0006083000000000 ] - [ 0.0024595800000000, -0.0013626700000000, -0.0026407100000000 ] - [ -0.0003212200000000, 0.0001567600000000, 0.0017970900000000 ] - [ -0.0009944300000000, 0.0023692200000000, 0.0026491900000000 ] - [ 0.0011104200000000, 0.0021829700000000, 0.0001124900000000 ] - [ 0.0018940600000000, 0.0023554800000000, 0.0016532400000000 ] - [ -0.0008774400000000, -0.0012840300000000, -0.0000970700000000 ] - [ -0.0005573800000000, -0.0000585700000000, 0.0004477000000000 ] - [ 0.0002469300000000, 0.0004898400000000, 0.0004995700000000 ] - [ -0.0013961300000000, 0.0010195700000000, -0.0006455400000000 ] - [ 0.0002640300000000, 0.0010202700000000, 0.0003348300000000 ] - [ 0.0001436100000000, 0.0002518300000000, 0.0003520000000000 ] - [ 0.0006742300000000, -0.0015097600000000, 0.0000689200000000 ] - [ -0.0001819500000000, -0.0006075300000000, 0.0005364200000000 ] - [ -0.0018377100000000, 0.0055136400000000, 0.0000830100000000 ] - [ 0.0005160200000000, -0.0007178500000000, 0.0002565600000000 ] - [ 0.0009014400000000, 0.0000834700000000, -0.0002219200000000 ] - [ 0.0006249500000000, 0.0008971800000000, -0.0005858700000000 ] - [ 0.0000053400000000, 0.0010040600000000, -0.0004866000000000 ] - [ 0.0020686500000000, 0.0020122800000000, 0.0024060800000000 ] - [ 0.0006183000000000, -0.0010024100000000, -0.0003257200000000 ] - [ -0.0006640600000000, -0.0014178300000000, 0.0001095400000000 ] - [ 0.0009152600000000, -0.0012374300000000, -0.0004020200000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000084300000000, 0.0002074800000000, 0.0010116700000000 ] - [ -0.0001156500000000, 0.0000212900000000, -0.0005069800000000 ] - [ -0.0002001100000000, -0.0000779000000000, 0.0010736500000000 ] - [ -0.0000841600000000, 0.0000321500000000, -0.0007806100000000 ] - [ -0.0003043000000000, -0.0013774000000000, 0.0000497400000000 ] - [ -0.0011835900000000, -0.0020882100000000, -0.0079939400000000 ] - [ -0.0001647300000000, 0.0030094900000000, -0.0050047200000000 ] - [ 0.0006859400000000, -0.0000215000000000, -0.0008943700000000 ] - [ 0.0001029000000000, 0.0002330300000000, -0.0000937900000000 ] - [ -0.0006191800000000, -0.0000492400000000, 0.0011414900000000 ] - [ -0.0001144400000000, 0.0005450400000000, -0.0002419100000000 ] - [ -0.0001298900000000, 0.0009104700000000, -0.0000114300000000 ] - [ 0.0002421600000000, -0.0007446900000000, 0.0000042100000000 ] - [ 0.0005436800000000, -0.0000268100000000, -0.0020426800000000 ] - [ -0.0006058200000000, -0.0011222200000000, 0.0000127700000000 ] - [ 0.0095803100000000, -0.0139235700000000, 0.0126763000000000 ] - [ -0.0004739100000000, 0.0007593200000000, -0.0041681700000000 ] - [ -0.0072495100000000, 0.0105860400000000, 0.0536193300000000 ] - [ 0.0003200700000000, 0.0006303200000000, 0.0007942400000000 ] - [ 0.0014708800000000, -0.0009664300000000, -0.0018691100000000 ] - [ 0.0004484000000000, 0.0003068000000000, 0.0002654500000000 ] - [ 0.0000605800000000, -0.0001678400000000, 0.0003721700000000 ] - [ -0.0003807500000000, 0.0004152200000000, -0.0002296200000000 ] - [ 0.0011202500000000, 0.0009689300000000, -0.0005539000000000 ] - [ 0.0000032400000000, -0.0000132300000000, -0.0006546600000000 ] - [ 0.0008763800000000, -0.0002564400000000, -0.0011230600000000 ] - [ -0.0016095500000000, -0.0013501800000000, 0.0015025100000000 ] - [ -0.0012840500000000, 0.0011608400000000, 0.0001182000000000 ] - [ 0.0002332400000000, 0.0003549200000000, -0.0012522500000000 ] - [ -0.0002306400000000, 0.0003448700000000, 0.0014298100000000 ] - [ -0.0008499500000000, -0.0002847700000000, 0.0022697500000000 ] - [ -0.0006830100000000, 0.0023841400000000, -0.0015760000000000 ] - [ -0.0046691600000000, -0.0003725300000000, -0.0034965200000000 ] - [ -0.0052444800000000, 0.0034983700000000, -0.0050098900000000 ] - [ 0.0028093500000000, -0.0014603800000000, -0.0043011900000000 ] - [ -0.0008779300000000, -0.0026442300000000, -0.0023395800000000 ] - [ 0.0022456400000000, 0.0020114000000000, -0.0016781500000000 ] - [ 0.0007371100000000, -0.0004277300000000, -0.0017384900000000 ] - [ 0.0008777200000000, 0.0018902400000000, 0.0007915800000000 ] - [ 0.0003681200000000, -0.0032095100000000, -0.0030733300000000 ] - [ 0.0003673500000000, -0.0003800200000000, -0.0005815700000000 ] - [ -0.0000289600000000, 0.0000908700000000, 0.0011971600000000 ] - [ 0.0007392000000000, -0.0003011000000000, 0.0002612200000000 ] - [ 0.0001072200000000, 0.0002122800000000, -0.0012533500000000 ] - [ -0.0014926100000000, -0.0009535200000000, 0.0012534700000000 ] - [ -0.0007733400000000, -0.0003082600000000, -0.0003043500000000 ] - [ 0.0012540200000000, 0.0010368700000000, -0.0000098100000000 ] - [ -0.0045647800000000, 0.0048378100000000, -0.0578309500000000 ] - [ 0.0000843000000000, -0.0000475900000000, 0.0005748500000000 ] - [ 0.0000529200000000, -0.0006807900000000, 0.0006348800000000 ] - [ -0.0006525900000000, 0.0006316900000000, 0.0016840400000000 ] - [ 0.0001518000000000, -0.0002737100000000, -0.0008652500000000 ] - [ -0.0001693600000000, 0.0001625500000000, -0.0005093300000000 ] - [ -0.0006390300000000, 0.0002261600000000, 0.0006866500000000 ] - [ 0.0005868700000000, 0.0011467000000000, 0.0001052300000000 ] - [ -0.0002214100000000, 0.0004350400000000, 0.0017768400000000 ] - [ 0.0002348500000000, -0.0006200700000000, -0.0003911700000000 ] - [ 0.0002950200000000, -0.0005829300000000, 0.0002234000000000 ] - [ 0.0007985400000000, -0.0004559700000000, 0.0009919800000000 ] - [ -0.0003509300000000, 0.0006568900000000, -0.0003725900000000 ] - [ 0.0004193000000000, 0.0007837400000000, 0.0003448700000000 ] - [ 0.0004283600000000, 0.0003311900000000, 0.0000139400000000 ] - [ -0.0001369100000000, -0.0004665500000000, -0.0003769300000000 ] - [ -0.0002395100000000, -0.0000518900000000, 0.0009221300000000 ] - [ -0.0001689300000000, 0.0006558200000000, 0.0004892100000000 ] - [ -0.0003325500000000, -0.0004375200000000, 0.0005832100000000 ] - [ -0.0004319200000000, -0.0003467700000000, -0.0000288800000000 ] - [ 0.0001581700000000, -0.0005353000000000, 0.0004194700000000 ] - [ -0.0003489700000000, -0.0000051300000000, 0.0006732900000000 ] - [ 0.0043206700000000, 0.0001100800000000, 0.0070733600000000 ] - [ -0.0002151900000000, -0.0000223900000000, 0.0028213400000000 ] - [ -0.0000442000000000, -0.0005644100000000, -0.0005664400000000 ] - [ 0.0063513900000000, -0.0177472000000000, -0.0039896900000000 ] - [ -0.0000371700000000, -0.0020108400000000, -0.0025507100000000 ] - [ -0.0008018700000000, -0.0004608500000000, 0.0002326400000000 ] - [ -0.0002698300000000, -0.0003253700000000, 0.0006802700000000 ] - [ -0.0004346900000000, 0.0003853000000000, -0.0000415900000000 ] - [ -0.0122495700000000, 0.0224171400000000, 0.0035087600000000 ] - [ 0.0008607400000000, -0.0004837500000000, 0.0009428700000000 ] - [ -0.0021446100000000, -0.0010806900000000, 0.0045160900000000 ] - [ -0.0042589000000000, 0.0047273400000000, 0.0009279700000000 ] - [ 0.0001290400000000, -0.0002707300000000, 0.0011193600000000 ] - [ 0.0011023800000000, -0.0003488200000000, 0.0023346300000000 ] - [ -0.0004926200000000, -0.0001653500000000, -0.0007433900000000 ] - [ 0.0000341300000000, 0.0000724000000000, -0.0000781100000000 ] - [ 0.0100751300000000, -0.0047618400000000, -0.0050236900000000 ] - [ -0.0008546500000000, -0.0008410800000000, -0.0000995600000000 ] - [ 0.0004396300000000, -0.0001215700000000, -0.0001922200000000 ] - [ -0.0001500500000000, -0.0007239600000000, 0.0014617000000000 ] - [ -0.0005662600000000, 0.0005356200000000, 0.0010695100000000 ] - [ 0.0009446600000000, -0.0010365500000000, 0.0002600000000000 ] - [ 0.0002786500000000, -0.0004084100000000, -0.0011551500000000 ] - [ 0.0048903000000000, -0.0029594000000000, 0.0020347100000000 ] - [ -0.0006572600000000, 0.0003037900000000, 0.0006315200000000 ] - [ 0.0003151000000000, -0.0004712500000000, -0.0001679700000000 ] - [ -0.0003106500000000, 0.0006850600000000, 0.0005309200000000 ] - [ 0.0004434800000000, -0.0000756800000000, -0.0012336100000000 ] - [ 0.0000504700000000, 0.0003159500000000, 0.0004476300000000 ] - [ -0.0010500600000000, 0.0014187600000000, 0.0011649500000000 ] - [ 0.0001886900000000, -0.0022479600000000, 0.0011612500000000 ] - [ -0.0007243000000000, -0.0012112100000000, 0.0006253000000000 ] - [ -0.0006179400000000, 0.0003048500000000, 0.0004556600000000 ] - [ 0.0020013500000000, -0.0001687800000000, 0.0004755600000000 ] - [ -0.0004473700000000, -0.0001191600000000, 0.0001461200000000 ] - [ -0.0003330400000000, -0.0004123300000000, 0.0003028900000000 ] - [ -0.0002042200000000, -0.0001375700000000, 0.0010877400000000 ] - [ -0.0000240100000000, 0.0004655900000000, -0.0002237400000000 ] - [ -0.0002673800000000, -0.0005992600000000, 0.0004168800000000 ] - [ -0.0003592700000000, -0.0002939000000000, 0.0010679500000000 ] - [ -0.0000897700000000, 0.0001828900000000, 0.0001362500000000 ] - [ -0.0001996300000000, -0.0001662800000000, 0.0008498100000000 ] - [ 0.0018366500000000, 0.0016040900000000, 0.0013451500000000 ] - [ 0.0002296200000000, 0.0007299000000000, -0.0005517500000000 ] - [ 0.0006118700000000, 0.0002443400000000, -0.0007408500000000 ] - [ 0.0007722300000000, 0.0012977700000000, -0.0001801500000000 ] - [ -0.0000210400000000, 0.0001749900000000, 0.0013080800000000 ] - [ 0.0009205300000000, 0.0001338000000000, 0.0005032600000000 ] - [ 0.0002698000000000, -0.0002287000000000, -0.0008978500000000 ] - [ -0.0005381300000000, -0.0000115000000000, -0.0000109800000000 ] - [ 0.0005114400000000, -0.0000789200000000, -0.0000028600000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001475700000000, -0.0001994100000000, -0.0010090500000000 ] - [ -0.0000379900000000, -0.0000209800000000, 0.0005055700000000 ] - [ 0.0003520100000000, 0.0000754900000000, -0.0010729900000000 ] - [ -0.0000710700000000, -0.0000321500000000, 0.0007793700000000 ] - [ 0.0003062000000000, 0.0005469900000000, -0.0000493000000000 ] - [ 0.0012050200000000, 0.0029065400000000, 0.0080174200000000 ] - [ 0.0001839100000000, -0.0026426900000000, 0.0049494200000000 ] - [ 0.0004874400000000, 0.0000215000000000, 0.0008929500000000 ] - [ -0.0001020900000000, -0.0006177300000000, 0.0000932900000000 ] - [ -0.0005568100000000, 0.0000534800000000, -0.0011396100000000 ] - [ 0.0001031700000000, -0.0013847800000000, 0.0002356000000000 ] - [ 0.0001292100000000, -0.0000672700000000, 0.0000108300000000 ] - [ -0.0002430100000000, 0.0011399900000000, -0.0000046600000000 ] - [ 0.0006303500000000, 0.0000277200000000, 0.0020419200000000 ] - [ 0.0006009000000000, 0.0007228700000000, -0.0000107000000000 ] - [ -0.0111416600000000, 0.0144457700000000, -0.0130024700000000 ] - [ 0.0011565700000000, 0.0000891300000000, 0.0036798300000000 ] - [ 0.0075109800000000, -0.0111679300000000, -0.0533731900000000 ] - [ -0.0009992700000000, -0.0014801900000000, -0.0012834000000000 ] - [ -0.0022340000000000, 0.0008128500000000, 0.0014059400000000 ] - [ 0.0003101200000000, -0.0001492800000000, -0.0007323000000000 ] - [ -0.0000664400000000, 0.0007553500000000, -0.0002068100000000 ] - [ -0.0003771600000000, -0.0002550800000000, 0.0006934500000000 ] - [ -0.0011071500000000, -0.0015514800000000, 0.0007141000000000 ] - [ 0.0000030400000000, 0.0005985500000000, 0.0004911800000000 ] - [ -0.0001991400000000, -0.0005943500000000, 0.0016093800000000 ] - [ 0.0023706600000000, 0.0011931600000000, -0.0010326700000000 ] - [ 0.0012659000000000, -0.0017345800000000, -0.0002854900000000 ] - [ 0.0004414900000000, 0.0005046500000000, 0.0007642500000000 ] - [ -0.0004460600000000, 0.0005162300000000, -0.0009432600000000 ] - [ 0.0001711400000000, -0.0005753100000000, -0.0027561400000000 ] - [ -0.0000779400000000, -0.0025271600000000, 0.0011085800000000 ] - [ 0.0054577700000000, 0.0004673900000000, 0.0029387000000000 ] - [ 0.0052076700000000, -0.0028834400000000, 0.0051815000000000 ] - [ -0.0035878400000000, 0.0016237500000000, 0.0047783600000000 ] - [ 0.0008863700000000, 0.0020661800000000, 0.0025065300000000 ] - [ -0.0022341500000000, -0.0014354400000000, 0.0015093300000000 ] - [ -0.0000642800000000, -0.0004318400000000, 0.0022226400000000 ] - [ -0.0001157500000000, -0.0020340500000000, -0.0003272500000000 ] - [ -0.0003840700000000, 0.0026315400000000, 0.0029051700000000 ] - [ -0.0003671600000000, 0.0004927700000000, 0.0007229200000000 ] - [ 0.0012224100000000, 0.0003553500000000, -0.0008981500000000 ] - [ 0.0004533400000000, -0.0001457300000000, -0.0005619200000000 ] - [ -0.0013004900000000, 0.0002334800000000, 0.0009485800000000 ] - [ 0.0014307500000000, 0.0011400700000000, -0.0015823200000000 ] - [ -0.0004187900000000, -0.0001383800000000, 0.0006045800000000 ] - [ -0.0021864000000000, -0.0017522900000000, -0.0001060500000000 ] - [ 0.0049565900000000, -0.0046092700000000, 0.0585241000000000 ] - [ -0.0000809900000000, -0.0000694400000000, -0.0004332800000000 ] - [ -0.0002853300000000, 0.0004739300000000, 0.0000940800000000 ] - [ 0.0015834900000000, -0.0013500500000000, -0.0015782900000000 ] - [ 0.0003897800000000, 0.0003044800000000, 0.0012689400000000 ] - [ 0.0001666700000000, -0.0002808200000000, 0.0003639400000000 ] - [ -0.0003178100000000, 0.0001085100000000, -0.0003936400000000 ] - [ -0.0005242000000000, -0.0013302600000000, -0.0004316600000000 ] - [ -0.0003089400000000, 0.0004343200000000, -0.0018868900000000 ] - [ 0.0002929000000000, -0.0002489600000000, 0.0002787200000000 ] - [ 0.0007322700000000, 0.0008342400000000, -0.0000983400000000 ] - [ -0.0011367500000000, 0.0015381000000000, -0.0002377300000000 ] - [ 0.0001172200000000, -0.0004582300000000, -0.0003555500000000 ] - [ -0.0001853100000000, -0.0005849000000000, 0.0003805000000000 ] - [ 0.0004989700000000, 0.0003836000000000, -0.0001257800000000 ] - [ -0.0002119200000000, -0.0006250200000000, -0.0003685300000000 ] - [ -0.0007191400000000, -0.0002840600000000, -0.0012164900000000 ] - [ 0.0001066000000000, -0.0008372200000000, -0.0001651300000000 ] - [ -0.0001950600000000, -0.0004294100000000, -0.0004716400000000 ] - [ -0.0005952900000000, 0.0005988700000000, -0.0000961600000000 ] - [ 0.0001898700000000, -0.0005558500000000, 0.0003237900000000 ] - [ -0.0001935200000000, 0.0000367100000000, -0.0010788100000000 ] - [ -0.0042004000000000, 0.0000908100000000, -0.0066319300000000 ] - [ -0.0003294400000000, -0.0000072700000000, -0.0024155300000000 ] - [ 0.0002775100000000, 0.0003619500000000, -0.0001617700000000 ] - [ -0.0057987300000000, 0.0187282900000000, 0.0041455400000000 ] - [ 0.0009929600000000, 0.0023315400000000, 0.0022590000000000 ] - [ 0.0011412500000000, 0.0015480300000000, -0.0009714500000000 ] - [ 0.0002713900000000, 0.0004407700000000, -0.0008212800000000 ] - [ -0.0004941900000000, 0.0003295800000000, 0.0001527000000000 ] - [ 0.0126239000000000, -0.0221595400000000, -0.0038132000000000 ] - [ -0.0019030100000000, 0.0002451600000000, -0.0008079500000000 ] - [ 0.0031998200000000, 0.0008596700000000, -0.0046984000000000 ] - [ 0.0042941700000000, -0.0046303600000000, -0.0007902300000000 ] - [ 0.0010623300000000, 0.0007132200000000, -0.0008169200000000 ] - [ 0.0000888300000000, -0.0000966300000000, -0.0026449000000000 ] - [ -0.0006989000000000, 0.0006081400000000, 0.0004412100000000 ] - [ -0.0000959300000000, 0.0001052000000000, -0.0002475200000000 ] - [ -0.0112673700000000, 0.0042970000000000, 0.0054353000000000 ] - [ -0.0000767500000000, 0.0001203900000000, -0.0000122900000000 ] - [ 0.0005199900000000, -0.0002195100000000, 0.0004850800000000 ] - [ 0.0001530700000000, 0.0006079600000000, -0.0013194300000000 ] - [ 0.0003358300000000, -0.0007369900000000, -0.0003421500000000 ] - [ -0.0000139400000000, 0.0003154100000000, -0.0001494900000000 ] - [ 0.0002657200000000, 0.0004437300000000, 0.0015598500000000 ] - [ -0.0048568200000000, 0.0028237500000000, -0.0021740200000000 ] - [ -0.0002995100000000, 0.0000339500000000, -0.0003381300000000 ] - [ -0.0002495500000000, 0.0002912200000000, -0.0001559400000000 ] - [ -0.0002156300000000, 0.0001769100000000, -0.0006453200000000 ] - [ 0.0000854000000000, -0.0007858300000000, 0.0011169800000000 ] - [ 0.0009792200000000, -0.0000594700000000, -0.0003237000000000 ] - [ 0.0007063200000000, -0.0003323500000000, -0.0004215600000000 ] - [ -0.0004206500000000, 0.0024372200000000, -0.0018867500000000 ] - [ 0.0009527800000000, 0.0014071200000000, 0.0001051100000000 ] - [ 0.0015561400000000, 0.0004142800000000, -0.0005661000000000 ] - [ -0.0023361400000000, -0.0009202800000000, -0.0012209800000000 ] - [ -0.0005105000000000, -0.0002199200000000, -0.0004405200000000 ] - [ 0.0002711000000000, 0.0002350900000000, 0.0000228000000000 ] - [ -0.0003212400000000, -0.0007235900000000, -0.0009737900000000 ] - [ -0.0010040400000000, -0.0002069500000000, 0.0000960100000000 ] - [ 0.0006139600000000, -0.0004871200000000, 0.0003257200000000 ] - [ -0.0001817400000000, 0.0003286400000000, -0.0014716000000000 ] - [ 0.0001530700000000, -0.0000062500000000, 0.0001874600000000 ] - [ -0.0003422800000000, 0.0001307100000000, -0.0004443000000000 ] - [ -0.0016241500000000, -0.0017961100000000, -0.0020768700000000 ] - [ 0.0002975400000000, 0.0001318700000000, 0.0006649900000000 ] - [ 0.0003478000000000, 0.0000939100000000, 0.0004460400000000 ] - [ -0.0004269100000000, -0.0002114800000000, -0.0005653200000000 ] - [ 0.0000235800000000, -0.0000582700000000, -0.0014517200000000 ] - [ -0.0018416200000000, 0.0005905500000000, -0.0003753900000000 ] - [ 0.0002726800000000, 0.0001926500000000, 0.0004912400000000 ] - [ -0.0004897900000000, -0.0002460200000000, 0.0001354200000000 ] - [ 0.0005175500000000, -0.0001793300000000, -0.0001238000000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002305000000000, -0.0000910200000000, -0.0005657600000000 ] - [ -0.0007045800000000, 0.0002035500000000, 0.0014566600000000 ] - [ 0.0000911300000000, 0.0000347100000000, 0.0000708200000000 ] - [ -0.0001346400000000, 0.0000432200000000, -0.0000498600000000 ] - [ -0.0057354100000000, -0.0060862800000000, -0.0033413100000000 ] - [ -0.0000007800000000, 0.0003195500000000, -0.0000527800000000 ] - [ -0.0057802700000000, 0.0053064000000000, 0.0002450600000000 ] - [ -0.0022540200000000, -0.0004627000000000, -0.0016306100000000 ] - [ -0.0000010300000000, -0.0000905000000000, 0.0001676000000000 ] - [ 0.0014565800000000, -0.0005449600000000, 0.0003723300000000 ] - [ -0.0025611200000000, -0.0034689100000000, -0.0005717700000000 ] - [ -0.0000792900000000, 0.0006805700000000, -0.0004158000000000 ] - [ -0.0027923100000000, 0.0029184000000000, -0.0000196400000000 ] - [ 0.0010351900000000, -0.0001407700000000, 0.0001954200000000 ] - [ -0.0000371300000000, -0.0004205600000000, -0.0002509300000000 ] - [ -0.0009946300000000, 0.0000277100000000, -0.0000623000000000 ] - [ -0.0002810700000000, 0.0014016000000000, 0.0005647900000000 ] - [ 0.0004637000000000, 0.0016949300000000, -0.0007869400000000 ] - [ -0.0001754100000000, -0.0008641800000000, -0.0013650200000000 ] - [ 0.0004362300000000, -0.0000136500000000, -0.0008986000000000 ] - [ -0.0031538000000000, 0.0005437600000000, 0.0003012600000000 ] - [ 0.0007021300000000, 0.0002545300000000, -0.0003471500000000 ] - [ 0.0535513300000000, 0.0400507500000000, 0.0024171800000000 ] - [ -0.0043103100000000, -0.0007501100000000, 0.0008821400000000 ] - [ -0.0006909100000000, 0.0003120900000000, -0.0004192700000000 ] - [ 0.0002011900000000, -0.0014209600000000, 0.0024212400000000 ] - [ -0.0001673100000000, -0.0001082200000000, 0.0002381000000000 ] - [ 0.0571762100000000, -0.0274801800000000, 0.0329289600000000 ] - [ 0.0009924600000000, 0.0034075700000000, -0.0017186200000000 ] - [ -0.0011333400000000, 0.0004393500000000, 0.0010703700000000 ] - [ -0.0007157100000000, -0.0003956900000000, 0.0007963400000000 ] - [ -0.0009209600000000, -0.0001293800000000, 0.0001383200000000 ] - [ 0.0031924000000000, 0.0002502700000000, -0.0007839300000000 ] - [ -0.0003704900000000, 0.0002120700000000, 0.0000287800000000 ] - [ -0.0014745700000000, 0.0001406300000000, 0.0001692700000000 ] - [ 0.0030031000000000, -0.0006190600000000, -0.0003253300000000 ] - [ 0.0003684100000000, 0.0002213600000000, -0.0000569900000000 ] - [ 0.0012544000000000, -0.0021408900000000, -0.0011913600000000 ] - [ 0.0008221600000000, -0.0000986300000000, -0.0000168200000000 ] - [ -0.0010645000000000, -0.0004244900000000, 0.0000063800000000 ] - [ -0.0092313100000000, -0.0011801300000000, 0.0050570500000000 ] - [ -0.0000656900000000, 0.0002335600000000, 0.0007594800000000 ] - [ -0.0052840600000000, -0.0046184400000000, 0.0027853100000000 ] - [ -0.0003433800000000, 0.0001445400000000, -0.0003161700000000 ] - [ -0.0001919500000000, 0.0000300000000000, -0.0001352600000000 ] - [ 0.0000882200000000, -0.0001179000000000, 0.0001969800000000 ] - [ -0.0001582100000000, -0.0002879000000000, -0.0000654600000000 ] - [ 0.0006040100000000, -0.0006866600000000, 0.0003167100000000 ] - [ 0.0005888000000000, -0.0000936000000000, 0.0003932300000000 ] - [ -0.1121288000000000, -0.0054023500000000, -0.0465319900000000 ] - [ 0.0000267900000000, -0.0003258400000000, 0.0001286800000000 ] - [ 0.0002644000000000, 0.0007016700000000, 0.0017836600000000 ] - [ -0.0002223300000000, 0.0001089700000000, 0.0004302200000000 ] - [ -0.0007351900000000, 0.0005858200000000, -0.0001559400000000 ] - [ 0.0006920700000000, 0.0003625000000000, -0.0000475900000000 ] - [ 0.0004526000000000, -0.0005339400000000, -0.0011835400000000 ] - [ 0.0002986900000000, -0.0004712200000000, 0.0004072400000000 ] - [ 0.0006889700000000, 0.0001799500000000, -0.0000191500000000 ] - [ 0.0169048200000000, -0.0275988700000000, 0.0118575800000000 ] - [ -0.0003712700000000, 0.0000005800000000, -0.0000667500000000 ] - [ 0.0002609100000000, 0.0001389700000000, 0.0003991900000000 ] - [ 0.0165632700000000, 0.0300349500000000, 0.0046140100000000 ] - [ -0.0004880500000000, -0.0006226200000000, -0.0003915100000000 ] - [ -0.0005576500000000, -0.0004482700000000, -0.0003084900000000 ] - [ -0.0016149800000000, 0.0024821800000000, 0.0003368900000000 ] - [ -0.0002754800000000, -0.0003754900000000, -0.0006012400000000 ] - [ -0.0006990600000000, 0.0001850000000000, -0.0000434300000000 ] - [ 0.0005616500000000, -0.0006882100000000, 0.0004410200000000 ] - [ 0.0010451400000000, 0.0012140600000000, -0.0021806000000000 ] - [ 0.0001815400000000, 0.0000393900000000, 0.0001615500000000 ] - [ -0.0001826000000000, -0.0000982000000000, -0.0002784700000000 ] - [ 0.0014713800000000, -0.0002624800000000, -0.0004745600000000 ] - [ 0.0006774900000000, -0.0009381200000000, 0.0019505700000000 ] - [ 0.0006717100000000, 0.0004492300000000, 0.0000877600000000 ] - [ 0.0029907000000000, 0.0011226000000000, -0.0007092600000000 ] - [ 0.0013405000000000, 0.0002672000000000, -0.0003507700000000 ] - [ 0.0020466500000000, -0.0000368800000000, 0.0006632500000000 ] - [ 0.0001378300000000, -0.0000966000000000, 0.0003655700000000 ] - [ -0.0019009800000000, -0.0021972000000000, 0.0005106400000000 ] - [ 0.0011419900000000, -0.0004727400000000, -0.0001617800000000 ] - [ 0.0002759900000000, 0.0000846800000000, 0.0000480000000000 ] - [ 0.0011398800000000, 0.0004938500000000, -0.0004967000000000 ] - [ 0.0011435500000000, -0.0004895800000000, -0.0000673500000000 ] - [ -0.0009478500000000, 0.0003741500000000, 0.0002116700000000 ] - [ 0.0002643400000000, 0.0001611100000000, 0.0000268900000000 ] - [ -0.0012307500000000, -0.0004277000000000, 0.0001930000000000 ] - [ -0.0007428600000000, -0.0004700900000000, 0.0000641000000000 ] - [ 0.0003933100000000, -0.0001141500000000, -0.0003038200000000 ] - [ -0.0001880200000000, -0.0000281000000000, -0.0000104000000000 ] - [ 0.0001567100000000, -0.0001083800000000, 0.0003878000000000 ] - [ 0.0008444500000000, -0.0005040300000000, -0.0000068300000000 ] - [ 0.0007279700000000, 0.0002354000000000, -0.0004809200000000 ] - [ 0.0001633300000000, -0.0000322500000000, 0.0000016300000000 ] - [ -0.0002874500000000, 0.0012769400000000, 0.0009819100000000 ] - [ -0.0031373600000000, 0.0143767300000000, -0.0076381800000000 ] - [ -0.0002078800000000, -0.0002851400000000, 0.0002120800000000 ] - [ 0.0002606000000000, -0.0003273800000000, -0.0003125100000000 ] - [ 0.0003493800000000, 0.0001169200000000, 0.0002113600000000 ] - [ 0.0004171300000000, 0.0002219400000000, 0.0002839300000000 ] - [ 0.0000002600000000, 0.0001782500000000, -0.0004518200000000 ] - [ 0.0000105900000000, 0.0001431900000000, 0.0004193500000000 ] - [ 0.0010993300000000, 0.0006711000000000, 0.0000111900000000 ] - [ 0.0000513900000000, -0.0004129400000000, -0.0003154900000000 ] - [ 0.0001192100000000, -0.0021134800000000, 0.0015743100000000 ] - [ 0.0018411700000000, -0.0000040700000000, -0.0000524900000000 ] - [ -0.0003131100000000, 0.0000194500000000, 0.0006410800000000 ] - [ -0.0003186300000000, 0.0001142600000000, 0.0000318400000000 ] - [ -0.0000377400000000, -0.0004142200000000, 0.0003849500000000 ] - [ -0.0002952500000000, 0.0006716900000000, 0.0003642000000000 ] - [ -0.0002712400000000, 0.0002427400000000, 0.0002910400000000 ] - [ -0.0003759000000000, -0.0005233000000000, 0.0011106900000000 ] - [ -0.0006115700000000, -0.0001665900000000, -0.0001932700000000 ] - [ 0.0007762300000000, 0.0002762200000000, -0.0006178700000000 ] - [ 0.0002133100000000, -0.0000315500000000, -0.0004519100000000 ] - [ -0.0009480200000000, -0.0009546000000000, -0.0001783900000000 ] - [ -0.0006113700000000, 0.0002130300000000, -0.0001499700000000 ] - [ -0.0015554300000000, 0.0016070400000000, -0.0000779500000000 ] - [ 0.0003632300000000, -0.0000996900000000, -0.0005199700000000 ] - [ 0.0009959100000000, -0.0002142700000000, -0.0004590600000000 ] - [ -0.0037584500000000, -0.0171965500000000, -0.0038909800000000 ]- atom: 50 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003901800000000, 0.0000913700000000, 0.0005658700000000 ] - [ 0.0005530700000000, -0.0002036400000000, -0.0014558100000000 ] - [ 0.0000620200000000, -0.0000339200000000, -0.0000703700000000 ] - [ -0.0000206600000000, -0.0000418000000000, 0.0000495000000000 ] - [ 0.0057357800000000, 0.0052499400000000, 0.0033399400000000 ] - [ 0.0000002800000000, 0.0005171700000000, 0.0000554100000000 ] - [ 0.0057766200000000, -0.0049218100000000, -0.0002509300000000 ] - [ 0.0034335900000000, 0.0004604300000000, 0.0016431700000000 ] - [ 0.0000019600000000, -0.0002986400000000, -0.0001660000000000 ] - [ -0.0026751900000000, 0.0005535500000000, -0.0003482600000000 ] - [ 0.0025481400000000, 0.0026277300000000, 0.0005609000000000 ] - [ 0.0000767800000000, 0.0001591100000000, 0.0004171600000000 ] - [ 0.0027503300000000, -0.0025073600000000, 0.0000181100000000 ] - [ 0.0001380100000000, 0.0001425100000000, -0.0001955700000000 ] - [ 0.0000363900000000, 0.0000287700000000, 0.0002544400000000 ] - [ -0.0001778800000000, -0.0000272100000000, 0.0000616100000000 ] - [ 0.0009556400000000, -0.0005427500000000, -0.0010482500000000 ] - [ -0.0011386000000000, -0.0008415800000000, 0.0012723300000000 ] - [ -0.0004991500000000, 0.0000111600000000, 0.0008763900000000 ] - [ -0.0011959300000000, -0.0001436500000000, 0.0004415900000000 ] - [ 0.0039148300000000, -0.0004038300000000, -0.0007734200000000 ] - [ -0.0007086000000000, 0.0003325600000000, 0.0005240900000000 ] - [ -0.0550286600000000, -0.0399346100000000, -0.0021077900000000 ] - [ 0.0043258200000000, 0.0001718800000000, -0.0007210500000000 ] - [ 0.0006955000000000, 0.0002688500000000, 0.0002607800000000 ] - [ 0.0004730200000000, 0.0005643600000000, -0.0019315100000000 ] - [ 0.0009252200000000, -0.0000452600000000, 0.0002299900000000 ] - [ -0.0578311200000000, 0.0266471000000000, -0.0331025500000000 ] - [ -0.0003342500000000, -0.0025717100000000, 0.0012216400000000 ] - [ 0.0004483800000000, 0.0004142600000000, -0.0005813500000000 ] - [ 0.0000332800000000, -0.0004676300000000, -0.0012850800000000 ] - [ 0.0001606200000000, -0.0000219500000000, -0.0006022100000000 ] - [ -0.0024270500000000, -0.0000939900000000, 0.0003128800000000 ] - [ 0.0003643000000000, 0.0003711700000000, 0.0001347100000000 ] - [ 0.0007148700000000, 0.0000148100000000, 0.0002953500000000 ] - [ -0.0029837400000000, 0.0000429500000000, 0.0004844100000000 ] - [ -0.0003633800000000, 0.0003626600000000, -0.0001050700000000 ] - [ -0.0005812700000000, 0.0012946200000000, 0.0016858200000000 ] - [ -0.0000634500000000, -0.0000515400000000, 0.0004829200000000 ] - [ 0.0010548100000000, -0.0001569400000000, -0.0001700600000000 ] - [ 0.0091883900000000, 0.0013523200000000, -0.0049666700000000 ] - [ 0.0012586400000000, 0.0002118500000000, -0.0004636100000000 ] - [ 0.0065080500000000, 0.0042065600000000, -0.0031553300000000 ] - [ -0.0008478600000000, 0.0003014900000000, 0.0000136500000000 ] - [ 0.0001293100000000, 0.0001493800000000, -0.0001901400000000 ] - [ -0.0012765700000000, -0.0003245900000000, 0.0001085000000000 ] - [ -0.0007709700000000, -0.0004289500000000, -0.0000472800000000 ] - [ 0.0003519000000000, 0.0003503200000000, -0.0000226600000000 ] - [ -0.0005864300000000, -0.0000211200000000, -0.0002554200000000 ] - [ 0.1127962300000000, 0.0055260400000000, 0.0471753100000000 ] - [ 0.0009007300000000, -0.0003909800000000, -0.0000192800000000 ] - [ 0.0002750400000000, -0.0006671500000000, -0.0013732300000000 ] - [ 0.0002183800000000, -0.0002300200000000, -0.0005900800000000 ] - [ -0.0002229900000000, -0.0002490700000000, 0.0004490400000000 ] - [ -0.0006299800000000, -0.0005412300000000, -0.0002770500000000 ] - [ -0.0009786700000000, 0.0013959300000000, 0.0010663200000000 ] - [ 0.0002270500000000, -0.0003945800000000, -0.0005192700000000 ] - [ 0.0003382800000000, 0.0000748000000000, 0.0001446300000000 ] - [ -0.0169359800000000, 0.0281998900000000, -0.0109391400000000 ] - [ 0.0001365800000000, 0.0002029300000000, -0.0006659700000000 ] - [ -0.0000270800000000, 0.0000606500000000, 0.0003264100000000 ] - [ -0.0153133700000000, -0.0288459900000000, -0.0046770300000000 ] - [ 0.0001368400000000, -0.0004678300000000, -0.0003559100000000 ] - [ -0.0004011700000000, 0.0001095600000000, 0.0000139400000000 ] - [ 0.0015468300000000, -0.0026548700000000, -0.0000113500000000 ] - [ -0.0002526500000000, -0.0004886200000000, 0.0007123700000000 ] - [ -0.0003297200000000, 0.0000694200000000, -0.0000820700000000 ] - [ -0.0002150900000000, -0.0004004700000000, 0.0003022700000000 ] - [ -0.0015849900000000, -0.0011793600000000, 0.0017716700000000 ] - [ -0.0001206300000000, 0.0001405400000000, 0.0001626900000000 ] - [ -0.0003607000000000, 0.0000644200000000, 0.0006810000000000 ] - [ -0.0012427800000000, 0.0000671700000000, -0.0002497000000000 ] - [ -0.0001505300000000, 0.0018034900000000, -0.0018308200000000 ] - [ 0.0002840000000000, -0.0001136200000000, -0.0003805600000000 ] - [ -0.0026460800000000, -0.0000341800000000, -0.0000336600000000 ] - [ -0.0013405400000000, -0.0001514100000000, 0.0002075500000000 ] - [ -0.0029765900000000, 0.0007555300000000, -0.0005503700000000 ] - [ 0.0004027000000000, 0.0000639700000000, -0.0007699500000000 ] - [ 0.0008675900000000, 0.0019302500000000, -0.0003837000000000 ] - [ -0.0001143400000000, 0.0002163200000000, 0.0000367200000000 ] - [ -0.0002794100000000, 0.0000306100000000, 0.0000946500000000 ] - [ 0.0000527300000000, -0.0000484200000000, 0.0007968100000000 ] - [ 0.0000486300000000, 0.0000435300000000, -0.0002338200000000 ] - [ -0.0002454000000000, 0.0000704300000000, -0.0005126300000000 ] - [ -0.0003257400000000, 0.0000192500000000, -0.0003532400000000 ] - [ 0.0000374700000000, -0.0000168500000000, 0.0001099900000000 ] - [ -0.0001877800000000, -0.0002488900000000, -0.0001756900000000 ] - [ 0.0005707800000000, -0.0002261500000000, 0.0005973300000000 ] - [ 0.0001904600000000, -0.0000885600000000, 0.0001517900000000 ] - [ -0.0003911700000000, -0.0000929300000000, 0.0003401100000000 ] - [ 0.0000839800000000, -0.0002146200000000, 0.0001176800000000 ] - [ -0.0001849000000000, -0.0002001300000000, 0.0008888500000000 ] - [ -0.0001679000000000, -0.0000837500000000, -0.0001437100000000 ] - [ -0.0006720000000000, -0.0009453900000000, -0.0006942600000000 ] - [ 0.0031541500000000, -0.0146841400000000, 0.0073957800000000 ] - [ -0.0003131700000000, 0.0011492900000000, -0.0003162400000000 ] - [ 0.0002661300000000, -0.0005346200000000, 0.0001984700000000 ] - [ 0.0006777500000000, 0.0001391800000000, -0.0000879100000000 ] - [ -0.0007623100000000, 0.0008650600000000, 0.0004606700000000 ] - [ -0.0002351600000000, 0.0000203800000000, -0.0002754300000000 ] - [ 0.0002226000000000, 0.0000552100000000, 0.0003075800000000 ] - [ -0.0001707700000000, 0.0000458700000000, -0.0001214400000000 ] - [ -0.0003998900000000, -0.0006756900000000, -0.0004294300000000 ] - [ -0.0010832400000000, 0.0017976200000000, -0.0018858000000000 ] - [ -0.0019044300000000, -0.0001811900000000, 0.0003799100000000 ] - [ -0.0002144400000000, -0.0008849600000000, -0.0005305700000000 ] - [ -0.0007105100000000, 0.0001417300000000, -0.0001585600000000 ] - [ 0.0003851300000000, -0.0006747100000000, 0.0003589100000000 ] - [ -0.0002487000000000, -0.0006405700000000, -0.0007681600000000 ] - [ 0.0003344700000000, -0.0000661000000000, 0.0000313900000000 ] - [ -0.0001660400000000, 0.0004924000000000, -0.0007067100000000 ] - [ 0.0008418400000000, -0.0000365900000000, -0.0005333500000000 ] - [ -0.0002446600000000, 0.0005874300000000, 0.0007264200000000 ] - [ 0.0007518300000000, 0.0003754800000000, 0.0001568800000000 ] - [ 0.0012883400000000, 0.0020288700000000, -0.0005648300000000 ] - [ 0.0006110300000000, -0.0000982300000000, 0.0000096700000000 ] - [ 0.0006225800000000, -0.0008872500000000, 0.0001903700000000 ] - [ 0.0001794000000000, 0.0000651300000000, 0.0001128900000000 ] - [ -0.0020191000000000, -0.0000343400000000, 0.0005846900000000 ] - [ 0.0048260800000000, 0.0169506700000000, 0.0038454100000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011477700000000, 0.0017899300000000, 0.0009694500000000 ] - [ -0.0001372300000000, 0.0032446300000000, -0.0006031800000000 ] - [ 0.0000549900000000, -0.0015538100000000, -0.0001282500000000 ] - [ 0.0001426800000000, -0.0019859900000000, 0.0002345900000000 ] - [ -0.0097938800000000, -0.0086871100000000, -0.0054502300000000 ] - [ 0.0002381500000000, -0.0003768900000000, 0.0006471600000000 ] - [ 0.0111545600000000, -0.0105144800000000, -0.0010924700000000 ] - [ 0.0019419200000000, 0.0066789800000000, -0.0008734000000000 ] - [ -0.0000166300000000, 0.0009469900000000, 0.0010943900000000 ] - [ -0.0054722700000000, 0.0061848400000000, 0.0068705800000000 ] - [ -0.0120104600000000, -0.0119648300000000, -0.0048783000000000 ] - [ 0.0007967800000000, 0.0010543100000000, 0.0035302100000000 ] - [ 0.0141348200000000, -0.0103443800000000, -0.0021671200000000 ] - [ -0.0000043600000000, -0.0037826200000000, 0.0007389000000000 ] - [ -0.0001315700000000, -0.0015477900000000, 0.0003816900000000 ] - [ -0.0000720300000000, -0.0028906100000000, -0.0001311800000000 ] - [ 0.0006708100000000, -0.0030682500000000, -0.0026468700000000 ] - [ 0.0004559700000000, -0.0037123200000000, 0.0037671500000000 ] - [ -0.0013733400000000, -0.0015957600000000, -0.0035368200000000 ] - [ 0.0001507200000000, 0.0025254100000000, -0.0020669700000000 ] - [ 0.0005544600000000, 0.0067242200000000, -0.0026858500000000 ] - [ -0.0002981600000000, 0.0045350400000000, 0.0027002500000000 ] - [ 0.0366779300000000, 0.1991400800000000, 0.0029303400000000 ] - [ -0.0000132800000000, 0.0074000100000000, -0.0008402200000000 ] - [ 0.0005239100000000, 0.0032640300000000, 0.0011578300000000 ] - [ -0.0002681800000000, -0.0025535500000000, 0.0041524100000000 ] - [ 0.0001616100000000, 0.0019727800000000, 0.0020217500000000 ] - [ -0.0175305800000000, 0.0928782400000000, -0.0456261200000000 ] - [ 0.0230206900000000, -0.0013690400000000, 0.0102258600000000 ] - [ -0.0000214200000000, 0.0049305100000000, -0.0031941500000000 ] - [ -0.0026233100000000, -0.0014323400000000, 0.0049240000000000 ] - [ 0.0003430000000000, -0.0021023100000000, 0.0011649900000000 ] - [ 0.0026730800000000, -0.0100508400000000, 0.0016178600000000 ] - [ -0.0002010000000000, -0.0022106800000000, 0.0008246400000000 ] - [ -0.0008612300000000, -0.0041887000000000, -0.0006031400000000 ] - [ -0.0025965000000000, -0.0105133300000000, -0.0011675900000000 ] - [ 0.0001608100000000, -0.0024579800000000, 0.0004053400000000 ] - [ -0.0018140700000000, -0.0001431200000000, -0.0056042600000000 ] - [ -0.0000083500000000, -0.0020392900000000, 0.0002536500000000 ] - [ 0.0010573100000000, -0.0047930700000000, -0.0003120400000000 ] - [ -0.0004786100000000, -0.0093717700000000, -0.0134757600000000 ] - [ 0.0002830400000000, -0.0001535800000000, 0.0023371000000000 ] - [ -0.0099166200000000, 0.0270414900000000, -0.0235495900000000 ] - [ 0.0005882700000000, -0.0003741000000000, -0.0018525300000000 ] - [ 0.0005465100000000, 0.0012964900000000, -0.0003871100000000 ] - [ -0.0006826600000000, -0.0015325500000000, 0.0010744100000000 ] - [ -0.0005691200000000, -0.0007406700000000, -0.0004397400000000 ] - [ -0.0009202400000000, 0.0027861900000000, -0.0004315500000000 ] - [ -0.0003239600000000, -0.0013025600000000, -0.0001086600000000 ] - [ -0.0086703900000000, -0.4140652800000000, 0.0993842000000000 ] - [ 0.0003274300000000, -0.0007992500000000, 0.0001646300000000 ] - [ 0.0011061700000000, 0.0010691700000000, 0.0036836000000000 ] - [ -0.0000909600000000, -0.0020808200000000, -0.0033890300000000 ] - [ -0.0007719700000000, 0.0019800400000000, -0.0005392500000000 ] - [ 0.0010140800000000, 0.0015722000000000, 0.0002858900000000 ] - [ -0.0018199500000000, 0.0025121400000000, 0.0029168900000000 ] - [ 0.0004921300000000, -0.0011079900000000, 0.0009038700000000 ] - [ 0.0004631200000000, 0.0003540800000000, -0.0003544600000000 ] - [ -0.0352838800000000, 0.0261466300000000, -0.0138413700000000 ] - [ -0.0000150400000000, -0.0020462100000000, -0.0003964100000000 ] - [ 0.0001559200000000, -0.0019814700000000, -0.0006478600000000 ] - [ 0.0253989600000000, 0.0202856600000000, 0.0053029200000000 ] - [ -0.0008268100000000, -0.0018309200000000, -0.0012272000000000 ] - [ 0.0004707500000000, 0.0023571400000000, 0.0003167100000000 ] - [ -0.0004564500000000, 0.0050761800000000, 0.0006696600000000 ] - [ 0.0000978900000000, -0.0007475300000000, -0.0014853000000000 ] - [ -0.0005712800000000, 0.0004775600000000, -0.0004276100000000 ] - [ 0.0003565000000000, -0.0014862900000000, 0.0000478500000000 ] - [ 0.0016990200000000, 0.0019091500000000, -0.0032314500000000 ] - [ -0.0005228400000000, 0.0011432000000000, 0.0000140900000000 ] - [ -0.0002799700000000, 0.0004069400000000, 0.0012583700000000 ] - [ 0.0002847200000000, -0.0053524400000000, -0.0012927000000000 ] - [ -0.0009519900000000, 0.0034787900000000, -0.0038460500000000 ] - [ 0.0012928600000000, 0.0019000300000000, 0.0004126800000000 ] - [ -0.0039064200000000, -0.0016690700000000, 0.0000365000000000 ] - [ -0.0004514500000000, -0.0027828300000000, 0.0019004900000000 ] - [ 0.0016725000000000, -0.0017009100000000, 0.0015696200000000 ] - [ 0.0000838600000000, 0.0004558500000000, -0.0019979900000000 ] - [ -0.0000274700000000, 0.0046434100000000, -0.0006847500000000 ] - [ -0.0005487400000000, 0.0015222200000000, 0.0005158900000000 ] - [ -0.0003124400000000, 0.0016211000000000, 0.0009233700000000 ] - [ 0.0011662900000000, 0.0010613800000000, -0.0013229400000000 ] - [ 0.0001798600000000, 0.0009417700000000, 0.0001413800000000 ] - [ -0.0006674400000000, 0.0007047300000000, 0.0005511100000000 ] - [ -0.0012196200000000, -0.0013943700000000, -0.0007718200000000 ] - [ -0.0009924200000000, 0.0014344100000000, -0.0006268900000000 ] - [ -0.0000138000000000, 0.0002935800000000, -0.0005550200000000 ] - [ 0.0024613200000000, -0.0044963300000000, 0.0007828300000000 ] - [ -0.0000373300000000, 0.0011923700000000, -0.0007174600000000 ] - [ -0.0001249700000000, 0.0031423700000000, -0.0003112700000000 ] - [ -0.0004160900000000, 0.0004470200000000, -0.0004825300000000 ] - [ 0.0026719600000000, 0.0011676600000000, -0.0029623900000000 ] - [ -0.0000180200000000, 0.0007994400000000, -0.0000992800000000 ] - [ 0.0010557900000000, -0.0020915300000000, 0.0014573200000000 ] - [ 0.0105763500000000, 0.0338577300000000, -0.0209205400000000 ] - [ -0.0049032400000000, 0.0035422800000000, -0.0014500900000000 ] - [ 0.0002794000000000, 0.0006876300000000, -0.0018109900000000 ] - [ 0.0003056200000000, -0.0001797000000000, 0.0002303800000000 ] - [ -0.0020742800000000, 0.0025276900000000, 0.0009407600000000 ] - [ -0.0001959700000000, 0.0020380500000000, -0.0011271400000000 ] - [ 0.0001605300000000, 0.0017781000000000, 0.0006912900000000 ] - [ 0.0016156900000000, 0.0021018300000000, 0.0004986100000000 ] - [ 0.0003718000000000, 0.0004490500000000, -0.0005018100000000 ] - [ -0.0065868300000000, -0.0057974400000000, -0.0018485600000000 ] - [ 0.0032755500000000, -0.0020139500000000, 0.0011848200000000 ] - [ 0.0002334800000000, 0.0005064900000000, 0.0019077300000000 ] - [ -0.0002486100000000, -0.0001776500000000, -0.0003533500000000 ] - [ -0.0004538600000000, 0.0005137200000000, 0.0001429100000000 ] - [ 0.0010084300000000, 0.0012344500000000, 0.0040368600000000 ] - [ 0.0012276300000000, -0.0018950300000000, -0.0008433900000000 ] - [ -0.0034888400000000, 0.0011756900000000, -0.0063112700000000 ] - [ 0.0001835600000000, 0.0068501900000000, 0.0015731300000000 ] - [ -0.0019541800000000, 0.0001148100000000, 0.0039073000000000 ] - [ 0.0020665100000000, 0.0001348000000000, -0.0024952100000000 ] - [ 0.0022797400000000, 0.0073472200000000, -0.0001942300000000 ] - [ 0.0004309800000000, 0.0027796800000000, -0.0011131300000000 ] - [ -0.0018782000000000, 0.0059659600000000, -0.0004510600000000 ] - [ 0.0003785600000000, -0.0006427000000000, 0.0006303700000000 ] - [ -0.0039538400000000, -0.0022402200000000, 0.0016260700000000 ] - [ -0.0114500700000000, 0.0398385600000000, 0.0098502500000000 ]- atom: 50 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009763900000000, -0.0017809900000000, -0.0009648500000000 ] - [ -0.0000103600000000, -0.0032283400000000, 0.0005984500000000 ] - [ 0.0000992500000000, 0.0015469600000000, 0.0001257700000000 ] - [ -0.0002953200000000, 0.0019749900000000, -0.0002320200000000 ] - [ 0.0097682400000000, 0.0078236900000000, 0.0054404700000000 ] - [ -0.0002361900000000, 0.0012052200000000, -0.0006417500000000 ] - [ -0.0110902100000000, 0.0108602900000000, 0.0010864700000000 ] - [ -0.0007701700000000, -0.0066444400000000, 0.0008634800000000 ] - [ 0.0000181800000000, -0.0013250500000000, -0.0010863500000000 ] - [ 0.0041798300000000, -0.0061379100000000, -0.0067648600000000 ] - [ 0.0119937600000000, 0.0111009300000000, 0.0048699100000000 ] - [ -0.0007923600000000, -0.0002061400000000, -0.0035023000000000 ] - [ -0.0140547200000000, 0.0106714800000000, 0.0021472800000000 ] - [ 0.0011713900000000, 0.0037643400000000, -0.0007337800000000 ] - [ 0.0001300200000000, 0.0011451300000000, -0.0003765900000000 ] - [ -0.0010963600000000, 0.0028777000000000, 0.0001283700000000 ] - [ 0.0000066900000000, 0.0039049100000000, 0.0021535900000000 ] - [ -0.0011319800000000, 0.0045370900000000, -0.0032670400000000 ] - [ 0.0006907600000000, 0.0007427300000000, 0.0030314700000000 ] - [ -0.0009076600000000, -0.0026791200000000, 0.0015997500000000 ] - [ 0.0002028600000000, -0.0065328300000000, 0.0022015700000000 ] - [ 0.0002889200000000, -0.0039122700000000, -0.0024955600000000 ] - [ -0.0335741700000000, -0.1845344800000000, -0.0029087800000000 ] - [ 0.0000137500000000, -0.0079628000000000, 0.0009981300000000 ] - [ -0.0005145000000000, -0.0026652500000000, -0.0013124900000000 ] - [ 0.0009348700000000, 0.0016936600000000, -0.0036545500000000 ] - [ 0.0005963100000000, -0.0021185800000000, -0.0015451600000000 ] - [ 0.0194107100000000, -0.0975416700000000, 0.0501850500000000 ] - [ -0.0221098400000000, 0.0022173500000000, -0.0106238400000000 ] - [ -0.0006637600000000, -0.0040264200000000, 0.0036561200000000 ] - [ 0.0019268700000000, 0.0005452300000000, -0.0054056800000000 ] - [ -0.0010965600000000, 0.0019425700000000, -0.0016222800000000 ] - [ -0.0019182800000000, 0.0101675200000000, -0.0020803400000000 ] - [ 0.0001953600000000, 0.0027798100000000, -0.0006575500000000 ] - [ 0.0001033600000000, 0.0043211200000000, 0.0010652000000000 ] - [ 0.0025819300000000, 0.0098860900000000, 0.0013229100000000 ] - [ -0.0001556600000000, 0.0030252000000000, -0.0005638400000000 ] - [ 0.0024844200000000, -0.0007242100000000, 0.0060883000000000 ] - [ 0.0007640400000000, 0.0018807100000000, 0.0002134200000000 ] - [ -0.0010539200000000, 0.0041911100000000, 0.0001447300000000 ] - [ 0.0004640800000000, 0.0096247200000000, 0.0132173800000000 ] - [ 0.0009103500000000, 0.0006027000000000, -0.0020358300000000 ] - [ 0.0110430700000000, -0.0268257900000000, 0.0226118500000000 ] - [ -0.0017719800000000, 0.0008203200000000, 0.0015435800000000 ] - [ -0.0006044700000000, -0.0011085900000000, 0.0000598900000000 ] - [ -0.0005061400000000, 0.0010785600000000, -0.0007644500000000 ] - [ -0.0003608800000000, 0.0000237200000000, 0.0003246300000000 ] - [ 0.0018706900000000, -0.0031077700000000, 0.0007233900000000 ] - [ 0.0003226300000000, 0.0011792700000000, 0.0002473700000000 ] - [ 0.0023229100000000, 0.4022734200000000, -0.1031131200000000 ] - [ 0.0005993500000000, 0.0000836100000000, -0.0000544500000000 ] - [ -0.0005615700000000, -0.0010326700000000, -0.0032598700000000 ] - [ 0.0000878800000000, 0.0019395600000000, 0.0031880300000000 ] - [ -0.0001839000000000, -0.0016365700000000, 0.0008290700000000 ] - [ -0.0009503700000000, -0.0017464300000000, -0.0006087900000000 ] - [ 0.0012851100000000, -0.0016357400000000, -0.0030188100000000 ] - [ 0.0000356100000000, 0.0002351600000000, -0.0010106400000000 ] - [ 0.0005629100000000, -0.0000995100000000, 0.0004771400000000 ] - [ 0.0353198400000000, -0.0250904300000000, 0.0148037500000000 ] - [ -0.0002178800000000, 0.0022408900000000, -0.0003389400000000 ] - [ 0.0000779400000000, 0.0021715000000000, 0.0013689300000000 ] - [ -0.0240885300000000, -0.0193824700000000, -0.0053604500000000 ] - [ 0.0004708500000000, 0.0007289700000000, 0.0004725200000000 ] - [ -0.0014234700000000, -0.0026821800000000, -0.0006096300000000 ] - [ 0.0003984500000000, -0.0052489900000000, -0.0003426700000000 ] - [ -0.0006221100000000, -0.0001209900000000, 0.0015885900000000 ] - [ -0.0004555900000000, -0.0002228300000000, 0.0002995800000000 ] - [ -0.0000098300000000, 0.0003911400000000, 0.0006932400000000 ] - [ -0.0022338500000000, -0.0018718900000000, 0.0028187000000000 ] - [ 0.0005805000000000, -0.0009563800000000, 0.0003093900000000 ] - [ -0.0002625700000000, -0.0004364700000000, -0.0008528000000000 ] - [ -0.0000449300000000, 0.0051302900000000, 0.0005635800000000 ] - [ 0.0014725400000000, -0.0025949300000000, 0.0039486600000000 ] - [ -0.0003330600000000, -0.0015573100000000, -0.0007025100000000 ] - [ 0.0042458800000000, 0.0027539300000000, -0.0007776800000000 ] - [ 0.0004527800000000, 0.0028907600000000, -0.0020362700000000 ] - [ -0.0025919500000000, 0.0024052100000000, -0.0014476200000000 ] - [ 0.0004553900000000, -0.0004832200000000, 0.0015876500000000 ] - [ -0.0009929900000000, -0.0048707200000000, 0.0008054200000000 ] - [ 0.0015701600000000, -0.0017691100000000, -0.0006381300000000 ] - [ 0.0003067100000000, -0.0014970200000000, -0.0007753400000000 ] - [ 0.0000265500000000, -0.0006138500000000, 0.0016176700000000 ] - [ 0.0010084500000000, -0.0013806400000000, -0.0004427600000000 ] - [ -0.0005230600000000, -0.0002592900000000, -0.0008489900000000 ] - [ 0.0011508200000000, 0.0015644500000000, 0.0004418800000000 ] - [ -0.0001958800000000, -0.0018697300000000, 0.0009300800000000 ] - [ -0.0009136500000000, -0.0010093500000000, 0.0004392200000000 ] - [ -0.0014753000000000, 0.0041125800000000, -0.0004899600000000 ] - [ 0.0000401300000000, -0.0013023300000000, 0.0008529200000000 ] - [ -0.0001100200000000, -0.0033274300000000, 0.0010359900000000 ] - [ 0.0013384400000000, -0.0011610400000000, 0.0005896900000000 ] - [ -0.0021295500000000, -0.0011274100000000, 0.0033691100000000 ] - [ 0.0000143700000000, -0.0009116500000000, -0.0000424500000000 ] - [ -0.0020080100000000, 0.0024281600000000, -0.0011606200000000 ] - [ -0.0107263100000000, -0.0346041400000000, 0.0210891500000000 ] - [ 0.0043306400000000, -0.0026472600000000, 0.0013324500000000 ] - [ 0.0002488100000000, -0.0015411300000000, 0.0016913000000000 ] - [ 0.0007222000000000, 0.0004373900000000, -0.0001067400000000 ] - [ 0.0017148600000000, -0.0014286200000000, -0.0001918000000000 ] - [ -0.0000387100000000, -0.0018298300000000, 0.0003952700000000 ] - [ 0.0000730000000000, -0.0015711900000000, 0.0000376000000000 ] - [ -0.0006842800000000, -0.0013765200000000, -0.0006073300000000 ] - [ -0.0007168000000000, -0.0015323200000000, -0.0002438400000000 ] - [ 0.0055829700000000, 0.0053999400000000, 0.0015516400000000 ] - [ -0.0033252200000000, 0.0018330200000000, -0.0008576300000000 ] - [ -0.0007586800000000, -0.0013638900000000, -0.0017932300000000 ] - [ -0.0007789000000000, 0.0004337800000000, 0.0002253200000000 ] - [ 0.0007978600000000, -0.0015964300000000, 0.0005990600000000 ] - [ -0.0015485800000000, -0.0011956500000000, -0.0044335400000000 ] - [ -0.0011536300000000, 0.0020542200000000, 0.0011561600000000 ] - [ 0.0029115700000000, -0.0011977100000000, 0.0066480100000000 ] - [ 0.0000538700000000, -0.0070201400000000, -0.0022911100000000 ] - [ 0.0024652100000000, 0.0007440100000000, -0.0037629900000000 ] - [ -0.0010762500000000, 0.0002293600000000, 0.0021891700000000 ] - [ -0.0019215100000000, -0.0062216000000000, -0.0005468800000000 ] - [ -0.0004246000000000, -0.0026498100000000, 0.0009656100000000 ] - [ 0.0009432900000000, -0.0052395300000000, 0.0005618100000000 ] - [ 0.0001654500000000, 0.0005998200000000, -0.0010323700000000 ] - [ 0.0029036200000000, 0.0019675400000000, -0.0014921900000000 ] - [ 0.0122641600000000, -0.0392068000000000, -0.0095898400000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015747100000000, -0.0005855000000000, -0.0008410100000000 ] - [ 0.0020846300000000, -0.0009984400000000, -0.0007237400000000 ] - [ 0.0001272100000000, 0.0003782900000000, -0.0001398500000000 ] - [ -0.0001803100000000, 0.0007056800000000, 0.0000373300000000 ] - [ 0.0018723200000000, 0.0011221200000000, 0.0011372200000000 ] - [ 0.0001428600000000, 0.0004402400000000, -0.0010482600000000 ] - [ -0.0042470400000000, 0.0032449900000000, 0.0010219700000000 ] - [ -0.0029680800000000, -0.0027693300000000, -0.0006365500000000 ] - [ -0.0001495500000000, -0.0004641800000000, -0.0012623100000000 ] - [ 0.0091733700000000, -0.0033135800000000, -0.0102469500000000 ] - [ 0.0049781500000000, 0.0034169900000000, 0.0036071400000000 ] - [ -0.0005653000000000, 0.0002673200000000, -0.0035978600000000 ] - [ 0.0004655200000000, 0.0007035000000000, 0.0031729200000000 ] - [ 0.0006809300000000, 0.0011733200000000, 0.0001513600000000 ] - [ -0.0002773500000000, -0.0000092100000000, -0.0013366500000000 ] - [ -0.0009452500000000, 0.0008087500000000, -0.0001300000000000 ] - [ 0.0004219200000000, 0.0008807000000000, 0.0004957000000000 ] - [ -0.0009682000000000, 0.0023349700000000, -0.0013003900000000 ] - [ -0.0001799100000000, -0.0007691500000000, -0.0001157200000000 ] - [ -0.0000575700000000, -0.0007723600000000, -0.0030196400000000 ] - [ 0.0002784700000000, -0.0013235000000000, 0.0014763100000000 ] - [ 0.0004505700000000, -0.0017566900000000, -0.0053375300000000 ] - [ 0.0064362800000000, 0.0123478300000000, 0.0460777800000000 ] - [ -0.0004523700000000, -0.0025401800000000, 0.0025379200000000 ] - [ -0.0004446800000000, -0.0006000600000000, -0.0022180700000000 ] - [ 0.0009626900000000, 0.0005655300000000, 0.0003273100000000 ] - [ 0.0003592000000000, -0.0008868800000000, -0.0015869300000000 ] - [ 0.0293825400000000, -0.0626860800000000, 0.1089473500000000 ] - [ -0.0162856200000000, 0.0065767400000000, -0.0056328300000000 ] - [ 0.0015168300000000, -0.0024344800000000, 0.0002389400000000 ] - [ 0.0019986000000000, 0.0019767200000000, -0.0020671800000000 ] - [ -0.0009559700000000, 0.0007351100000000, -0.0009386100000000 ] - [ -0.0005939900000000, 0.0032395400000000, -0.0004277700000000 ] - [ -0.0000175400000000, 0.0010706600000000, -0.0006645300000000 ] - [ -0.0003726000000000, 0.0010517400000000, 0.0010131200000000 ] - [ -0.0002054800000000, 0.0019766500000000, 0.0017715600000000 ] - [ 0.0000464200000000, 0.0009304200000000, -0.0006972300000000 ] - [ 0.0003208800000000, -0.0042303900000000, 0.0015964900000000 ] - [ 0.0006821900000000, 0.0003966800000000, -0.0007689700000000 ] - [ -0.0003813500000000, 0.0007182000000000, 0.0003780400000000 ] - [ 0.0049566400000000, -0.0114632900000000, 0.0371046800000000 ] - [ 0.0007161300000000, 0.0012041300000000, 0.0012576800000000 ] - [ 0.0091660800000000, -0.0318442100000000, 0.0162754700000000 ] - [ -0.0015835200000000, 0.0003441600000000, 0.0010572200000000 ] - [ -0.0002488400000000, -0.0001788500000000, 0.0001072600000000 ] - [ -0.0011604300000000, 0.0001052000000000, -0.0006092600000000 ] - [ -0.0004440800000000, -0.0002648100000000, 0.0004504000000000 ] - [ 0.0010747300000000, -0.0012500900000000, 0.0004180500000000 ] - [ 0.0003658400000000, 0.0001421100000000, 0.0011827100000000 ] - [ -0.0477608400000000, 0.1041390900000000, -0.1770213700000000 ] - [ 0.0000889200000000, -0.0000154900000000, 0.0007408200000000 ] - [ 0.0003208700000000, 0.0000501900000000, -0.0007127300000000 ] - [ 0.0001386300000000, 0.0018760500000000, 0.0057901500000000 ] - [ -0.0004604000000000, -0.0005110100000000, 0.0001321800000000 ] - [ -0.0001143100000000, -0.0004212000000000, -0.0004157500000000 ] - [ 0.0001534000000000, 0.0001201600000000, -0.0013576100000000 ] - [ 0.0002730500000000, -0.0000568700000000, 0.0001687200000000 ] - [ 0.0006559900000000, 0.0000672300000000, 0.0004078500000000 ] - [ 0.0078447300000000, -0.0071138500000000, -0.0047101700000000 ] - [ -0.0004171800000000, 0.0000721700000000, 0.0016329200000000 ] - [ 0.0000803800000000, 0.0011125100000000, 0.0013067200000000 ] - [ -0.0044331200000000, -0.0025356400000000, -0.0101671300000000 ] - [ 0.0002929900000000, 0.0000010500000000, 0.0009876300000000 ] - [ -0.0006804000000000, -0.0006923200000000, -0.0003493400000000 ] - [ 0.0002908600000000, -0.0012693800000000, -0.0003138100000000 ] - [ -0.0006333100000000, -0.0007734400000000, 0.0004865600000000 ] - [ -0.0004982300000000, -0.0000291700000000, 0.0004390000000000 ] - [ 0.0004027300000000, -0.0003373600000000, 0.0009739000000000 ] - [ -0.0003221400000000, -0.0001562400000000, -0.0004751500000000 ] - [ 0.0002297800000000, -0.0002414000000000, 0.0003935100000000 ] - [ -0.0003033100000000, 0.0000459300000000, -0.0000628400000000 ] - [ 0.0000037000000000, 0.0008391400000000, -0.0008291900000000 ] - [ 0.0008304000000000, -0.0007599800000000, 0.0009097400000000 ] - [ 0.0003818900000000, -0.0000882200000000, -0.0001575700000000 ] - [ 0.0015747200000000, 0.0012175300000000, -0.0010337200000000 ] - [ 0.0006168400000000, 0.0012864400000000, -0.0018570600000000 ] - [ -0.0009684700000000, 0.0009173700000000, -0.0006273900000000 ] - [ 0.0004780800000000, -0.0002977900000000, 0.0008028900000000 ] - [ -0.0004926900000000, -0.0016737800000000, 0.0000315800000000 ] - [ 0.0009585800000000, -0.0005961300000000, -0.0004892600000000 ] - [ 0.0001199600000000, -0.0003772100000000, -0.0003171500000000 ] - [ 0.0005144300000000, -0.0001019100000000, 0.0004988800000000 ] - [ 0.0006100400000000, -0.0003962400000000, -0.0005136400000000 ] - [ -0.0007401100000000, 0.0002921300000000, 0.0002142300000000 ] - [ 0.0005213300000000, 0.0005237800000000, 0.0007137000000000 ] - [ -0.0003641600000000, -0.0008445000000000, 0.0003475800000000 ] - [ -0.0007398800000000, -0.0006252800000000, 0.0005622200000000 ] - [ -0.0020770700000000, 0.0030157000000000, 0.0008511400000000 ] - [ -0.0000387200000000, -0.0004821100000000, 0.0004340300000000 ] - [ -0.0000931800000000, -0.0007804700000000, 0.0003536300000000 ] - [ 0.0011070800000000, -0.0008123200000000, 0.0005055800000000 ] - [ -0.0007629700000000, -0.0006627600000000, 0.0008484400000000 ] - [ 0.0000591400000000, -0.0002371700000000, 0.0002615700000000 ] - [ -0.0002695200000000, 0.0024558600000000, 0.0004059500000000 ] - [ -0.0031940100000000, -0.0135559900000000, -0.0004320900000000 ] - [ 0.0026235300000000, -0.0025510900000000, -0.0028048300000000 ] - [ 0.0001672000000000, -0.0012740300000000, 0.0010380500000000 ] - [ 0.0008686800000000, 0.0004055100000000, 0.0010079300000000 ] - [ 0.0003367800000000, 0.0000214700000000, -0.0001813300000000 ] - [ -0.0000288500000000, -0.0006656400000000, 0.0000069300000000 ] - [ 0.0000613500000000, -0.0002297900000000, 0.0005132200000000 ] - [ 0.0002051600000000, -0.0000332900000000, -0.0004985600000000 ] - [ -0.0002357500000000, -0.0008121500000000, -0.0000813200000000 ] - [ 0.0037427600000000, 0.0002849400000000, 0.0015646000000000 ] - [ -0.0009889600000000, 0.0007789500000000, -0.0008849500000000 ] - [ -0.0002083700000000, 0.0000991400000000, 0.0000555100000000 ] - [ -0.0003926700000000, 0.0001940200000000, 0.0005251700000000 ] - [ 0.0003367300000000, -0.0007530200000000, 0.0006875500000000 ] - [ -0.0004416600000000, 0.0005158000000000, -0.0026912500000000 ] - [ -0.0007792300000000, 0.0013078300000000, 0.0015987900000000 ] - [ 0.0020395100000000, -0.0015318400000000, 0.0048595300000000 ] - [ 0.0002872000000000, -0.0020484300000000, -0.0010084100000000 ] - [ 0.0002351800000000, 0.0009336200000000, -0.0005602900000000 ] - [ -0.0022399200000000, -0.0020054100000000, 0.0013845700000000 ] - [ 0.0000095800000000, 0.0002938600000000, -0.0009578000000000 ] - [ 0.0000026100000000, -0.0005256700000000, -0.0005588800000000 ] - [ -0.0000577000000000, -0.0016978600000000, 0.0000112500000000 ] - [ 0.0000078700000000, 0.0006203500000000, 0.0006629900000000 ] - [ 0.0001719000000000, 0.0003372400000000, -0.0009953300000000 ] - [ -0.0023086800000000, 0.0090313200000000, -0.0085453900000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017097100000000, 0.0005770500000000, 0.0008374800000000 ] - [ -0.0022415000000000, 0.0009865000000000, 0.0007178400000000 ] - [ 0.0000267700000000, -0.0003707600000000, 0.0001427700000000 ] - [ 0.0000251700000000, -0.0006981200000000, -0.0000397500000000 ] - [ -0.0017888000000000, -0.0018898700000000, -0.0010888000000000 ] - [ -0.0001453400000000, 0.0004049900000000, 0.0010440800000000 ] - [ 0.0042355000000000, -0.0028434500000000, -0.0010239100000000 ] - [ 0.0041364300000000, 0.0027481100000000, 0.0006317500000000 ] - [ 0.0001448500000000, 0.0000621600000000, 0.0012560700000000 ] - [ -0.0102331900000000, 0.0032664600000000, 0.0101581600000000 ] - [ -0.0049311000000000, -0.0042086500000000, -0.0035847500000000 ] - [ 0.0005674300000000, 0.0005621300000000, 0.0035845800000000 ] - [ -0.0005564500000000, -0.0002463500000000, -0.0031735400000000 ] - [ 0.0004936400000000, -0.0011562500000000, -0.0001603300000000 ] - [ 0.0002790800000000, -0.0003728600000000, 0.0013313900000000 ] - [ -0.0002280500000000, -0.0007960100000000, 0.0001335300000000 ] - [ 0.0002543300000000, -0.0000117500000000, -0.0009791200000000 ] - [ 0.0002847100000000, -0.0014599900000000, 0.0017838400000000 ] - [ -0.0004919000000000, -0.0000852100000000, -0.0003439400000000 ] - [ -0.0007031400000000, 0.0006223100000000, 0.0025539500000000 ] - [ 0.0004821500000000, 0.0014463600000000, -0.0019184300000000 ] - [ -0.0004535900000000, 0.0023087900000000, 0.0054681600000000 ] - [ -0.0074932700000000, -0.0132260500000000, -0.0458455600000000 ] - [ 0.0004580100000000, 0.0019266400000000, -0.0023718700000000 ] - [ 0.0004488100000000, 0.0011699900000000, 0.0020463300000000 ] - [ -0.0002862900000000, -0.0014101400000000, 0.0001231700000000 ] - [ 0.0004009700000000, 0.0007274100000000, 0.0020407700000000 ] - [ -0.0277165300000000, 0.0575803800000000, -0.1059668200000000 ] - [ 0.0169091000000000, -0.0057122400000000, 0.0050989200000000 ] - [ -0.0021827200000000, 0.0032496600000000, 0.0002762900000000 ] - [ -0.0026504800000000, -0.0028067600000000, 0.0015662800000000 ] - [ 0.0001965800000000, -0.0008788700000000, 0.0004636100000000 ] - [ 0.0013393200000000, -0.0030426500000000, -0.0000341700000000 ] - [ 0.0000142100000000, -0.0004755200000000, 0.0008250300000000 ] - [ -0.0003821700000000, -0.0008818800000000, -0.0005462100000000 ] - [ 0.0002188500000000, -0.0025023200000000, -0.0016070200000000 ] - [ -0.0000420100000000, -0.0003344700000000, 0.0005294400000000 ] - [ 0.0003659700000000, 0.0033677600000000, -0.0010984500000000 ] - [ 0.0000765600000000, -0.0005433800000000, 0.0012376900000000 ] - [ 0.0003739800000000, -0.0012777100000000, -0.0005379500000000 ] - [ -0.0046907200000000, 0.0113417100000000, -0.0358652200000000 ] - [ 0.0004721800000000, -0.0007628500000000, -0.0009605100000000 ] - [ -0.0079501300000000, 0.0317959100000000, -0.0168097900000000 ] - [ 0.0003823000000000, 0.0001017400000000, -0.0013491100000000 ] - [ 0.0001854300000000, 0.0003525700000000, -0.0004303300000000 ] - [ -0.0000362400000000, -0.0005435500000000, 0.0008980200000000 ] - [ -0.0004842100000000, -0.0004524400000000, -0.0005589800000000 ] - [ -0.0001115400000000, 0.0009020700000000, -0.0001238300000000 ] - [ -0.0003601200000000, -0.0002545600000000, -0.0010373000000000 ] - [ 0.0459892200000000, -0.0983542800000000, 0.1741408100000000 ] - [ 0.0008418400000000, -0.0007037200000000, -0.0006282100000000 ] - [ 0.0002173100000000, -0.0000224300000000, 0.0010886500000000 ] - [ -0.0001406000000000, -0.0019711200000000, -0.0058760900000000 ] - [ -0.0004942800000000, 0.0008393500000000, 0.0001681800000000 ] - [ 0.0001686100000000, 0.0002312400000000, 0.0000875100000000 ] - [ -0.0006754100000000, 0.0007378700000000, 0.0012383700000000 ] - [ 0.0002533700000000, -0.0007998200000000, -0.0002901000000000 ] - [ 0.0003724200000000, 0.0001877500000000, -0.0002786200000000 ] - [ -0.0081030500000000, 0.0081935300000000, 0.0053467000000000 ] - [ 0.0001820200000000, 0.0001295000000000, -0.0023519400000000 ] - [ 0.0001529100000000, -0.0009044300000000, -0.0005733000000000 ] - [ 0.0052072600000000, 0.0030639300000000, 0.0100167900000000 ] - [ -0.0006317200000000, -0.0010787000000000, -0.0017229700000000 ] - [ -0.0002812300000000, 0.0003443400000000, 0.0000557900000000 ] - [ -0.0003457800000000, 0.0010492600000000, 0.0006367900000000 ] - [ 0.0001072600000000, -0.0000860000000000, -0.0003604100000000 ] - [ -0.0005285400000000, 0.0002847300000000, -0.0005631100000000 ] - [ -0.0000547200000000, -0.0007466500000000, -0.0002267100000000 ] - [ -0.0002360000000000, 0.0001743600000000, 0.0000997500000000 ] - [ -0.0001659200000000, 0.0004161400000000, -0.0000677100000000 ] - [ -0.0002385700000000, -0.0000821900000000, 0.0004679600000000 ] - [ 0.0002287400000000, -0.0010165100000000, 0.0001027800000000 ] - [ -0.0003005100000000, 0.0016182100000000, -0.0007984400000000 ] - [ 0.0005718000000000, 0.0004178500000000, -0.0001405700000000 ] - [ -0.0012176600000000, -0.0001212100000000, 0.0002877900000000 ] - [ -0.0006118200000000, -0.0011588300000000, 0.0017109000000000 ] - [ 0.0000226500000000, -0.0001886100000000, 0.0007264200000000 ] - [ 0.0000670100000000, 0.0002591200000000, -0.0012049400000000 ] - [ -0.0005329600000000, 0.0014076100000000, 0.0000937900000000 ] - [ 0.0000718400000000, 0.0003355300000000, 0.0003619000000000 ] - [ -0.0001218800000000, 0.0004852900000000, 0.0004537500000000 ] - [ 0.0006724300000000, 0.0005422300000000, -0.0001860500000000 ] - [ 0.0005831800000000, -0.0000533000000000, 0.0002135800000000 ] - [ -0.0004490200000000, 0.0001511200000000, -0.0005210500000000 ] - [ -0.0005791000000000, -0.0003378000000000, -0.0010354300000000 ] - [ -0.0008256500000000, 0.0003908600000000, -0.0000494600000000 ] - [ -0.0001898700000000, -0.0000931100000000, -0.0006727800000000 ] - [ 0.0030059700000000, -0.0033105300000000, -0.0005614100000000 ] - [ 0.0000430300000000, 0.0003596200000000, -0.0002857200000000 ] - [ -0.0001407700000000, 0.0005668100000000, 0.0003775500000000 ] - [ -0.0001774800000000, 0.0000925300000000, -0.0003907200000000 ] - [ 0.0012941000000000, 0.0006874800000000, -0.0004379300000000 ] - [ -0.0000627300000000, 0.0001169800000000, -0.0004042200000000 ] - [ -0.0006948300000000, -0.0021101400000000, -0.0001138200000000 ] - [ 0.0031306200000000, 0.0130397100000000, 0.0001894600000000 ] - [ -0.0031432800000000, 0.0034136300000000, 0.0027163500000000 ] - [ 0.0003585300000000, 0.0003999200000000, -0.0011425900000000 ] - [ 0.0001589900000000, -0.0001522600000000, -0.0008799500000000 ] - [ -0.0006760400000000, 0.0010578300000000, 0.0009240900000000 ] - [ -0.0002050200000000, 0.0008556300000000, -0.0007299500000000 ] - [ 0.0001725900000000, 0.0004227900000000, 0.0002134400000000 ] - [ 0.0007185300000000, 0.0007440900000000, 0.0003852300000000 ] - [ -0.0001149300000000, -0.0002818500000000, -0.0006617300000000 ] - [ -0.0046901900000000, -0.0005932500000000, -0.0018572700000000 ] - [ 0.0009138000000000, -0.0009472600000000, 0.0012048200000000 ] - [ -0.0003212700000000, -0.0009665200000000, 0.0000526400000000 ] - [ -0.0006357700000000, 0.0000617800000000, -0.0006475300000000 ] - [ 0.0000148900000000, -0.0003415400000000, 0.0000588700000000 ] - [ -0.0001054000000000, -0.0004856500000000, 0.0022687500000000 ] - [ 0.0008302300000000, -0.0011113400000000, -0.0012654000000000 ] - [ -0.0025783600000000, 0.0014984100000000, -0.0044411500000000 ] - [ -0.0000531500000000, 0.0018156900000000, 0.0002692000000000 ] - [ 0.0003057800000000, -0.0000641700000000, 0.0006447200000000 ] - [ 0.0031663000000000, 0.0023194500000000, -0.0016632500000000 ] - [ 0.0003306600000000, 0.0007549800000000, 0.0002142400000000 ] - [ -0.0000006200000000, 0.0006275300000000, 0.0004275100000000 ] - [ -0.0008642700000000, 0.0023908900000000, 0.0001017200000000 ] - [ 0.0005312900000000, -0.0006472300000000, -0.0010739800000000 ] - [ -0.0011802100000000, -0.0005842000000000, 0.0011114800000000 ] - [ 0.0033608700000000, -0.0094270000000000, 0.0083527700000000 ]- atom: 52 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009192900000000, 0.0004284800000000, -0.0001729100000000 ] - [ 0.0001824400000000, -0.0000378400000000, 0.0000271500000000 ] - [ -0.0008329200000000, 0.0004571400000000, -0.0001300100000000 ] - [ -0.0004260900000000, 0.0000638000000000, 0.0001324200000000 ] - [ 0.0195169400000000, 0.0007978900000000, -0.0157680400000000 ] - [ 0.0005584800000000, 0.0004822800000000, -0.0002694600000000 ] - [ 0.0009651800000000, 0.0001598700000000, 0.0001668200000000 ] - [ 0.0000061600000000, -0.0001704400000000, 0.0004268700000000 ] - [ 0.0005042100000000, -0.0008654400000000, -0.0023602200000000 ] - [ -0.0015949800000000, -0.0011827700000000, 0.0004415100000000 ] - [ -0.0009069100000000, -0.0004753300000000, -0.0002068700000000 ] - [ -0.0016067700000000, -0.0004611100000000, 0.0003598600000000 ] - [ -0.0039429600000000, 0.0005303700000000, -0.0005416100000000 ] - [ 0.0014232300000000, 0.0002851800000000, -0.0002397700000000 ] - [ -0.0005842900000000, -0.0000481000000000, 0.0000159100000000 ] - [ -0.0034378100000000, -0.0048816800000000, 0.0003222200000000 ] - [ 0.0010386500000000, 0.0005130000000000, 0.0000730900000000 ] - [ 0.0012039100000000, -0.0004876500000000, 0.0001867500000000 ] - [ 0.0561414800000000, 0.0188383400000000, 0.0431578800000000 ] - [ -0.0002862800000000, -0.0002652100000000, -0.0001265000000000 ] - [ -0.0076719600000000, 0.0008800300000000, -0.0022736300000000 ] - [ 0.0009896700000000, -0.0001404500000000, 0.0010492400000000 ] - [ -0.0006628800000000, -0.0018207900000000, -0.0025344000000000 ] - [ 0.0000004000000000, 0.0013476200000000, 0.0012341600000000 ] - [ -0.0004596900000000, 0.0002127500000000, -0.0002426400000000 ] - [ 0.0013081800000000, -0.0009699000000000, 0.0013096100000000 ] - [ 0.0002526200000000, -0.0000527500000000, 0.0001505700000000 ] - [ 0.0001843300000000, -0.0016555600000000, -0.0007064400000000 ] - [ -0.0007770600000000, 0.0003222100000000, -0.0002794100000000 ] - [ -0.0046127900000000, -0.0002171600000000, -0.0004118500000000 ] - [ -0.0008496300000000, -0.0005961800000000, -0.0004370500000000 ] - [ -0.0011380700000000, 0.0000070500000000, -0.0005437700000000 ] - [ 0.0004305300000000, 0.0015170700000000, 0.0000747400000000 ] - [ -0.0002278700000000, -0.0004279100000000, -0.0012771400000000 ] - [ -0.0007205600000000, -0.0015160600000000, 0.0006623000000000 ] - [ -0.0013285400000000, 0.0030105200000000, -0.0015497600000000 ] - [ -0.0004167000000000, 0.0019256800000000, 0.0010670900000000 ] - [ 0.0000718100000000, -0.0003603000000000, 0.0003651600000000 ] - [ 0.0002141800000000, 0.0020697900000000, 0.0104293500000000 ] - [ -0.0045220500000000, -0.0047833000000000, 0.0006171000000000 ] - [ 0.0001052000000000, 0.0010591400000000, 0.0004557700000000 ] - [ 0.0006897800000000, 0.0002809600000000, 0.0000687300000000 ] - [ 0.0009730300000000, -0.0003052100000000, 0.0006446700000000 ] - [ -0.0004224700000000, 0.0001924300000000, -0.0001227400000000 ] - [ -0.0004908600000000, -0.0006241800000000, -0.0002972000000000 ] - [ 0.0019768800000000, 0.0002305400000000, 0.0015235800000000 ] - [ -0.0004482600000000, -0.0003453000000000, -0.0000187000000000 ] - [ -0.0004142900000000, 0.0016064400000000, 0.0000283400000000 ] - [ 0.0000979000000000, -0.0000231300000000, 0.0000205000000000 ] - [ -0.0001218000000000, 0.0007325400000000, 0.0004141600000000 ] - [ 0.0003244800000000, -0.0003382800000000, 0.0000695400000000 ] - [ -0.0780101800000000, -0.0192081500000000, -0.0200317900000000 ] - [ -0.0001149900000000, 0.0001903700000000, -0.0005387500000000 ] - [ -0.0011425500000000, 0.0006363700000000, 0.0000887200000000 ] - [ 0.0088562000000000, 0.0080651400000000, -0.0060620200000000 ] - [ -0.0004913000000000, 0.0004405100000000, -0.0001379000000000 ] - [ -0.0085792500000000, -0.0010259100000000, 0.0096901900000000 ] - [ 0.0005713400000000, 0.0000474600000000, 0.0004126200000000 ] - [ -0.0007214100000000, 0.0009186600000000, 0.0004847100000000 ] - [ -0.0002492500000000, 0.0002866200000000, -0.0005685900000000 ] - [ 0.0002055000000000, 0.0000922200000000, 0.0003965100000000 ] - [ -0.0005911900000000, 0.0018654200000000, 0.0026981400000000 ] - [ -0.0010577300000000, -0.0008491500000000, -0.0000830200000000 ] - [ -0.0009110100000000, -0.0004785100000000, -0.0002251600000000 ] - [ -0.0016116400000000, -0.0038885900000000, 0.0060232100000000 ] - [ -0.0006587200000000, -0.0004099400000000, -0.0004076200000000 ] - [ -0.0027498000000000, 0.0016710000000000, -0.0022256300000000 ] - [ 0.0003472800000000, -0.0006194700000000, 0.0005358900000000 ] - [ -0.0009179200000000, 0.0001594800000000, -0.0015560800000000 ] - [ -0.0001666300000000, 0.0003916000000000, 0.0004220900000000 ] - [ -0.0004448300000000, -0.0000161200000000, 0.0000887200000000 ] - [ 0.0014364300000000, -0.0020749500000000, -0.0004063100000000 ] - [ -0.0000793900000000, 0.0006285600000000, -0.0000294000000000 ] - [ -0.0012614200000000, 0.0147832000000000, 0.0123320700000000 ] - [ -0.0001758000000000, 0.0001096900000000, -0.0005134100000000 ] - [ 0.0001981200000000, -0.0001673900000000, -0.0006835000000000 ] - [ 0.0114247100000000, -0.0076211200000000, -0.0061080200000000 ] - [ 0.0000011900000000, 0.0001543400000000, 0.0000562500000000 ] - [ -0.0008412600000000, -0.0004809600000000, 0.0000966800000000 ] - [ 0.0002919100000000, 0.0002599200000000, -0.0000898900000000 ] - [ 0.0011753500000000, 0.0013173700000000, 0.0002791700000000 ] - [ 0.0005949200000000, 0.0002533500000000, 0.0000528500000000 ] - [ 0.0002625100000000, 0.0001357200000000, -0.0006321800000000 ] - [ 0.0038859900000000, -0.0100738600000000, -0.0260885700000000 ] - [ 0.0003210100000000, 0.0002593600000000, -0.0001630700000000 ] - [ -0.0011382200000000, -0.0004927400000000, -0.0001900800000000 ] - [ 0.0015147200000000, -0.0001285600000000, -0.0019780800000000 ] - [ 0.0020470500000000, -0.0004075500000000, 0.0001553300000000 ] - [ -0.0000337000000000, -0.0002627100000000, -0.0003821800000000 ] - [ 0.0003405900000000, 0.0023107700000000, -0.0006680600000000 ] - [ 0.0011369100000000, -0.0005008700000000, -0.0000335100000000 ] - [ 0.0004860500000000, 0.0000691000000000, 0.0003425000000000 ] - [ 0.0009530100000000, 0.0007527200000000, 0.0010705200000000 ] - [ -0.0002737800000000, 0.0000785000000000, 0.0000744600000000 ] - [ 0.0004295400000000, 0.0003803700000000, -0.0000015000000000 ] - [ 0.0003939100000000, 0.0002713000000000, -0.0001432700000000 ] - [ 0.0004387200000000, -0.0004765100000000, 0.0000230900000000 ] - [ 0.0005542300000000, 0.0001157300000000, 0.0000443000000000 ] - [ 0.0025446800000000, 0.0006039000000000, 0.0000421500000000 ] - [ -0.0000259400000000, -0.0000086400000000, -0.0001024500000000 ] - [ 0.0000134200000000, -0.0030959000000000, -0.0019419000000000 ] - [ 0.0009771900000000, 0.0007544900000000, -0.0000516200000000 ] - [ 0.0002690900000000, -0.0003228200000000, -0.0001018900000000 ] - [ 0.0000694100000000, 0.0002452100000000, -0.0002370300000000 ] - [ 0.0003509500000000, -0.0005074600000000, 0.0000439900000000 ] - [ -0.0001404500000000, -0.0004765300000000, 0.0000033200000000 ] - [ -0.0004074300000000, 0.0001094700000000, -0.0000309500000000 ] - [ 0.0006786600000000, -0.0010746700000000, 0.0002590100000000 ] - [ -0.0001011200000000, 0.0000283000000000, -0.0002589500000000 ] - [ -0.0000358900000000, 0.0005953500000000, -0.0001431000000000 ] - [ -0.0000036400000000, 0.0001132600000000, -0.0000417400000000 ] - [ 0.0000952700000000, -0.0013792800000000, -0.0005329400000000 ] - [ 0.0019174800000000, 0.0007652400000000, 0.0002143700000000 ] - [ 0.0008342100000000, 0.0005134900000000, -0.0001446400000000 ] - [ 0.0010932400000000, 0.0000752900000000, 0.0003244400000000 ] - [ 0.0002530400000000, -0.0007082000000000, 0.0006320500000000 ] - [ -0.0001935000000000, 0.0000457700000000, 0.0000779700000000 ] - [ 0.0011296600000000, 0.0001794500000000, 0.0002123300000000 ] - [ 0.0021005800000000, 0.0006575600000000, -0.0002242600000000 ] - [ 0.0017614100000000, 0.0005258300000000, 0.0015964300000000 ]- atom: 52 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007637700000000, -0.0004328100000000, 0.0001668300000000 ] - [ -0.0003358800000000, 0.0000368600000000, -0.0000249800000000 ] - [ 0.0009887100000000, -0.0004596000000000, 0.0001278000000000 ] - [ 0.0002713600000000, -0.0000641500000000, -0.0001306000000000 ] - [ -0.0195702000000000, -0.0016689500000000, 0.0152570700000000 ] - [ -0.0005591800000000, 0.0003556200000000, 0.0002707800000000 ] - [ -0.0009623600000000, 0.0002324200000000, -0.0001678900000000 ] - [ 0.0011664400000000, 0.0001700600000000, -0.0004203100000000 ] - [ -0.0005072100000000, 0.0004681100000000, 0.0024242600000000 ] - [ 0.0004230400000000, 0.0011927900000000, -0.0004488100000000 ] - [ 0.0009047000000000, -0.0003619200000000, 0.0002063900000000 ] - [ 0.0016076900000000, 0.0012980900000000, -0.0003641800000000 ] - [ 0.0039401700000000, -0.0001430100000000, 0.0005494200000000 ] - [ -0.0002485700000000, -0.0002818700000000, 0.0002379400000000 ] - [ 0.0005857900000000, -0.0003425100000000, -0.0000162800000000 ] - [ 0.0022899300000000, 0.0049173400000000, -0.0003408500000000 ] - [ -0.0003592500000000, 0.0003424500000000, -0.0005561400000000 ] - [ -0.0018831500000000, 0.0013474500000000, 0.0002976400000000 ] - [ -0.0577084400000000, -0.0203476000000000, -0.0452990500000000 ] - [ -0.0004725600000000, 0.0001094800000000, -0.0003376200000000 ] - [ 0.0084023700000000, -0.0007245200000000, 0.0017934300000000 ] - [ -0.0010093100000000, 0.0007174900000000, -0.0008938500000000 ] - [ -0.0001244800000000, 0.0019746200000000, 0.0030090000000000 ] - [ 0.0000073100000000, -0.0019202800000000, -0.0010626300000000 ] - [ 0.0004784400000000, 0.0003642000000000, 0.0000827400000000 ] - [ -0.0006308200000000, 0.0001136900000000, -0.0008102800000000 ] - [ 0.0005074400000000, -0.0001029100000000, 0.0003121500000000 ] - [ -0.0001899900000000, 0.0010749100000000, 0.0005468000000000 ] - [ 0.0014509400000000, 0.0005341500000000, -0.0001997900000000 ] - [ 0.0039395000000000, 0.0010713900000000, 0.0008826400000000 ] - [ 0.0001761600000000, -0.0002587300000000, -0.0000546000000000 ] - [ 0.0003894200000000, -0.0001530500000000, 0.0000898200000000 ] - [ 0.0003263000000000, -0.0013633700000000, -0.0005424300000000 ] - [ 0.0002235000000000, 0.0010175300000000, 0.0014454300000000 ] - [ -0.0000375800000000, 0.0016606800000000, -0.0001961100000000 ] - [ 0.0012927200000000, -0.0035755800000000, 0.0017411300000000 ] - [ 0.0004218900000000, -0.0013403700000000, -0.0012303400000000 ] - [ 0.0006022700000000, -0.0004958500000000, 0.0001249500000000 ] - [ 0.0005293100000000, -0.0022027600000000, -0.0099420500000000 ] - [ 0.0045099200000000, 0.0041810700000000, -0.0007966100000000 ] - [ -0.0001078300000000, -0.0009484300000000, -0.0003149000000000 ] - [ 0.0005030600000000, 0.0001646700000000, 0.0002306800000000 ] - [ 0.0002221200000000, -0.0001399500000000, -0.0009505800000000 ] - [ -0.0007710700000000, 0.0002534300000000, -0.0001767700000000 ] - [ 0.0004304300000000, 0.0008043400000000, -0.0000274300000000 ] - [ -0.0031639000000000, -0.0006760000000000, -0.0012160300000000 ] - [ -0.0004810200000000, -0.0003717600000000, -0.0000927800000000 ] - [ 0.0013736700000000, -0.0019496000000000, 0.0002663000000000 ] - [ -0.0000967600000000, -0.0000905000000000, 0.0001163500000000 ] - [ -0.0001106500000000, -0.0009343300000000, 0.0003109600000000 ] - [ 0.0006050800000000, -0.0003787900000000, 0.0000411500000000 ] - [ 0.0793831700000000, 0.0197493100000000, 0.0225539700000000 ] - [ 0.0001148200000000, -0.0003051700000000, 0.0004029000000000 ] - [ 0.0001848500000000, -0.0003000500000000, 0.0002032400000000 ] - [ -0.0086792500000000, -0.0081288600000000, 0.0056325000000000 ] - [ -0.0000362300000000, 0.0004232300000000, 0.0000230200000000 ] - [ 0.0090627900000000, 0.0001160400000000, -0.0098672400000000 ] - [ 0.0004447900000000, 0.0001993400000000, -0.0002997300000000 ] - [ 0.0003747400000000, 0.0001688500000000, 0.0002592000000000 ] - [ 0.0000164900000000, -0.0000837000000000, -0.0001584200000000 ] - [ 0.0000277000000000, 0.0001108500000000, 0.0003315100000000 ] - [ 0.0015302700000000, -0.0011455200000000, -0.0028008100000000 ] - [ 0.0007215800000000, -0.0002325800000000, -0.0006651500000000 ] - [ -0.0000474500000000, 0.0001398900000000, -0.0000698200000000 ] - [ 0.0016081600000000, 0.0036744800000000, -0.0056665700000000 ] - [ 0.0001312800000000, -0.0004555500000000, 0.0005130800000000 ] - [ 0.0017401100000000, -0.0014296600000000, 0.0021052400000000 ] - [ -0.0000114000000000, -0.0004606000000000, 0.0002016100000000 ] - [ 0.0003732900000000, -0.0001246300000000, 0.0011415600000000 ] - [ 0.0002297300000000, -0.0002142200000000, -0.0000985600000000 ] - [ -0.0000977400000000, -0.0000173800000000, 0.0003136400000000 ] - [ -0.0011932800000000, 0.0018592500000000, -0.0003191300000000 ] - [ 0.0006068500000000, 0.0002339300000000, 0.0001451500000000 ] - [ 0.0021577900000000, -0.0143137700000000, -0.0125409700000000 ] - [ 0.0005213900000000, 0.0009757900000000, -0.0002320800000000 ] - [ -0.0001934500000000, 0.0002818000000000, 0.0005353000000000 ] - [ -0.0122147000000000, 0.0081986000000000, 0.0061001600000000 ] - [ 0.0005421700000000, -0.0001888200000000, -0.0004606400000000 ] - [ -0.0001857100000000, 0.0002253500000000, 0.0000280100000000 ] - [ 0.0007339600000000, -0.0005128100000000, -0.0000345300000000 ] - [ -0.0011818500000000, -0.0011962900000000, -0.0001236100000000 ] - [ 0.0005976500000000, 0.0001914500000000, 0.0002415700000000 ] - [ 0.0009278700000000, -0.0005786700000000, 0.0003270600000000 ] - [ -0.0051664400000000, 0.0106443800000000, 0.0259712800000000 ] - [ -0.0003860600000000, -0.0000807800000000, -0.0001618600000000 ] - [ -0.0000516400000000, 0.0000471700000000, 0.0004926200000000 ] - [ -0.0024469800000000, -0.0005901900000000, 0.0018716000000000 ] - [ -0.0010904700000000, 0.0000669300000000, 0.0001424200000000 ] - [ 0.0000379300000000, 0.0001453600000000, 0.0005248700000000 ] - [ -0.0005725200000000, -0.0024923200000000, 0.0013895300000000 ] - [ -0.0002124200000000, -0.0002176300000000, 0.0001436500000000 ] - [ 0.0000565800000000, -0.0000350700000000, 0.0000649000000000 ] - [ -0.0009625100000000, -0.0008761500000000, -0.0012165900000000 ] - [ -0.0006824000000000, 0.0002577400000000, 0.0002175600000000 ] - [ -0.0003680700000000, -0.0005614900000000, -0.0003240900000000 ] - [ -0.0009192100000000, 0.0005916000000000, 0.0000244700000000 ] - [ 0.0000882700000000, -0.0003878300000000, -0.0001344100000000 ] - [ 0.0004741300000000, 0.0001398300000000, 0.0000811600000000 ] - [ -0.0028800000000000, 0.0004873100000000, 0.0007028600000000 ] - [ -0.0002098700000000, 0.0002039200000000, -0.0006256900000000 ] - [ 0.0002240100000000, 0.0033033600000000, 0.0026751800000000 ] - [ -0.0000454500000000, -0.0000344400000000, -0.0000591700000000 ] - [ -0.0006188200000000, -0.0007679300000000, -0.0006442300000000 ] - [ -0.0010260700000000, -0.0005825300000000, -0.0000596500000000 ] - [ -0.0004106300000000, 0.0003253600000000, 0.0002797300000000 ] - [ -0.0003862600000000, -0.0003873200000000, 0.0001081800000000 ] - [ -0.0006203900000000, 0.0001460800000000, -0.0000939600000000 ] - [ -0.0003307500000000, -0.0000140800000000, 0.0004857000000000 ] - [ -0.0004404000000000, 0.0000056600000000, -0.0001487000000000 ] - [ 0.0001014800000000, -0.0004170700000000, 0.0004699400000000 ] - [ -0.0005384300000000, -0.0001467600000000, 0.0004431200000000 ] - [ 0.0001425600000000, 0.0011767700000000, -0.0001963900000000 ] - [ -0.0013920700000000, 0.0000985400000000, -0.0000975400000000 ] - [ 0.0001225000000000, -0.0001788900000000, -0.0001475200000000 ] - [ -0.0007365900000000, 0.0010176800000000, -0.0010784700000000 ] - [ -0.0002420300000000, 0.0008159200000000, -0.0007726200000000 ] - [ -0.0007348200000000, 0.0006716900000000, 0.0000335600000000 ] - [ -0.0005875700000000, -0.0002116100000000, -0.0006079800000000 ] - [ -0.0031169000000000, -0.0009080600000000, 0.0003468000000000 ] - [ -0.0007378000000000, -0.0007886600000000, -0.0017394600000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008902500000000, -0.0030428000000000, 0.0013324400000000 ] - [ 0.0000239600000000, -0.0002904400000000, -0.0004489200000000 ] - [ 0.0001880400000000, -0.0001468900000000, 0.0000824400000000 ] - [ -0.0000340500000000, 0.0000524500000000, -0.0000219700000000 ] - [ 0.0016221600000000, 0.0123920900000000, -0.0038073200000000 ] - [ -0.0000214600000000, -0.0010732200000000, -0.0002766800000000 ] - [ 0.0000006400000000, -0.0019362900000000, 0.0001468000000000 ] - [ 0.0008913400000000, -0.0003181900000000, -0.0006044200000000 ] - [ -0.0003880200000000, 0.0016297700000000, 0.0031373800000000 ] - [ -0.0021408700000000, -0.0010671400000000, 0.0011714200000000 ] - [ -0.0000296400000000, -0.0021914400000000, 0.0000529000000000 ] - [ 0.0006195400000000, 0.0023126200000000, -0.0002902400000000 ] - [ -0.0001171700000000, 0.0037228100000000, 0.0000506300000000 ] - [ 0.0000317600000000, -0.0000988800000000, 0.0003376100000000 ] - [ -0.0000700400000000, -0.0014530600000000, -0.0000566400000000 ] - [ -0.0070061300000000, -0.0096138900000000, 0.0024794200000000 ] - [ 0.0004246200000000, -0.0006546300000000, -0.0005137200000000 ] - [ 0.0008138600000000, -0.0033413400000000, 0.0005287600000000 ] - [ 0.0181378000000000, 0.0959427500000000, 0.1201360800000000 ] - [ -0.0002959400000000, -0.0010551700000000, -0.0003262600000000 ] - [ 0.0076042800000000, 0.0007695000000000, 0.0020629000000000 ] - [ -0.0008728000000000, 0.0009491700000000, 0.0013975700000000 ] - [ -0.0062066300000000, 0.0002868600000000, -0.0022782300000000 ] - [ 0.0001901600000000, -0.0024815100000000, -0.0011927600000000 ] - [ 0.0007327600000000, 0.0004070000000000, 0.0000791600000000 ] - [ 0.0001733300000000, 0.0012720600000000, -0.0006127600000000 ] - [ 0.0005312000000000, -0.0011323900000000, 0.0005679800000000 ] - [ -0.0003809400000000, -0.0030907500000000, -0.0012112000000000 ] - [ -0.0007231600000000, 0.0017927400000000, -0.0013247900000000 ] - [ 0.0005900700000000, 0.0030473300000000, 0.0015902300000000 ] - [ -0.0004809100000000, -0.0020295100000000, 0.0000202600000000 ] - [ -0.0008794600000000, 0.0009834800000000, -0.0012717400000000 ] - [ 0.0010100600000000, -0.0024068400000000, 0.0003142700000000 ] - [ -0.0001396700000000, -0.0011682600000000, -0.0027792600000000 ] - [ -0.0007023800000000, -0.0014315500000000, 0.0005556700000000 ] - [ 0.0035131600000000, -0.0018401500000000, 0.0009774000000000 ] - [ 0.0006111300000000, -0.0013074500000000, -0.0014598000000000 ] - [ 0.0003765500000000, -0.0014320500000000, -0.0000546200000000 ] - [ 0.0012071700000000, -0.0008974400000000, -0.0072812100000000 ] - [ -0.0023065500000000, -0.0011792000000000, 0.0020810800000000 ] - [ 0.0008940400000000, 0.0016071100000000, 0.0005891500000000 ] - [ 0.0006597300000000, 0.0005036000000000, 0.0001876300000000 ] - [ 0.0023407900000000, -0.0010235600000000, 0.0015789500000000 ] - [ -0.0007093700000000, 0.0006358800000000, -0.0002129600000000 ] - [ 0.0001125000000000, 0.0007783300000000, 0.0000830400000000 ] - [ -0.0023937900000000, -0.0011616700000000, -0.0012626600000000 ] - [ -0.0003793800000000, 0.0002622900000000, -0.0002761800000000 ] - [ -0.0006017300000000, 0.0033652600000000, -0.0001429100000000 ] - [ -0.0001496600000000, 0.0000048700000000, 0.0001511700000000 ] - [ 0.0005668100000000, 0.0009518800000000, 0.0003979800000000 ] - [ 0.0003159100000000, 0.0001164800000000, 0.0001396500000000 ] - [ -0.0193700700000000, -0.1170462400000000, -0.1379398500000000 ] - [ 0.0004542400000000, -0.0000281200000000, -0.0011779400000000 ] - [ 0.0000674600000000, -0.0006835200000000, 0.0001546800000000 ] - [ 0.0053921000000000, 0.0010027700000000, -0.0040462900000000 ] - [ -0.0003605800000000, 0.0011018300000000, 0.0002789700000000 ] - [ -0.0030587200000000, -0.0071631200000000, -0.0198586800000000 ] - [ 0.0001275900000000, -0.0011481500000000, 0.0002309800000000 ] - [ -0.0006068700000000, 0.0016900500000000, 0.0006202700000000 ] - [ -0.0000363100000000, 0.0005711200000000, -0.0006415400000000 ] - [ 0.0000352900000000, 0.0005238800000000, 0.0003007500000000 ] - [ 0.0049218800000000, 0.0028839700000000, 0.0077691000000000 ] - [ 0.0001566000000000, -0.0007159500000000, -0.0008275100000000 ] - [ -0.0002022900000000, 0.0003767000000000, -0.0001258500000000 ] - [ -0.0035166200000000, 0.0017117300000000, -0.0090264500000000 ] - [ -0.0002737500000000, -0.0010769000000000, 0.0002328200000000 ] - [ 0.0011920000000000, -0.0017000500000000, 0.0014188000000000 ] - [ -0.0003784600000000, -0.0004881200000000, -0.0001305200000000 ] - [ -0.0004138100000000, -0.0012556500000000, 0.0006833000000000 ] - [ -0.0002635200000000, 0.0009774300000000, 0.0006480000000000 ] - [ -0.0002708700000000, 0.0003612600000000, 0.0003419200000000 ] - [ -0.0010793500000000, 0.0017893400000000, -0.0001976300000000 ] - [ 0.0003129200000000, 0.0020463700000000, -0.0005728900000000 ] - [ 0.0164460900000000, 0.0167940900000000, 0.0223495800000000 ] - [ 0.0003719000000000, 0.0015270200000000, -0.0001381800000000 ] - [ -0.0002199600000000, 0.0004286300000000, 0.0005085100000000 ] - [ -0.0134224300000000, 0.0046303800000000, 0.0053046400000000 ] - [ 0.0000991200000000, 0.0009192900000000, 0.0000953900000000 ] - [ -0.0002154100000000, 0.0008401800000000, -0.0002298700000000 ] - [ 0.0004022800000000, 0.0005812600000000, -0.0001215800000000 ] - [ 0.0014133000000000, 0.0004861400000000, -0.0016328500000000 ] - [ 0.0003333100000000, -0.0002177200000000, 0.0006911500000000 ] - [ 0.0004462400000000, 0.0001662800000000, -0.0003497400000000 ] - [ -0.0053062500000000, 0.0002580600000000, 0.0155354100000000 ] - [ -0.0002809900000000, -0.0002871700000000, -0.0001655400000000 ] - [ -0.0007213300000000, 0.0005097200000000, 0.0000032100000000 ] - [ -0.0022424200000000, -0.0009167600000000, 0.0015411000000000 ] - [ 0.0008960100000000, -0.0008373000000000, -0.0002787400000000 ] - [ 0.0000041600000000, 0.0000493500000000, 0.0005473200000000 ] - [ 0.0000995400000000, 0.0010443500000000, -0.0003111400000000 ] - [ 0.0005326100000000, -0.0008245800000000, 0.0002078500000000 ] - [ 0.0003229200000000, 0.0005653800000000, 0.0001607900000000 ] - [ 0.0018456600000000, 0.0018703100000000, 0.0020920000000000 ] - [ -0.0007571200000000, 0.0007597600000000, 0.0002948700000000 ] - [ 0.0007608300000000, 0.0012999600000000, 0.0000622500000000 ] - [ -0.0000245200000000, -0.0004540100000000, 0.0000737800000000 ] - [ 0.0001946900000000, 0.0002856700000000, -0.0003715800000000 ] - [ 0.0006498300000000, 0.0005860000000000, 0.0001456500000000 ] - [ 0.0014239400000000, -0.0001752500000000, -0.0001122100000000 ] - [ -0.0000348300000000, -0.0005255000000000, 0.0002719600000000 ] - [ -0.0003911300000000, 0.0012854500000000, 0.0018806300000000 ] - [ 0.0007684600000000, 0.0009370700000000, -0.0000684900000000 ] - [ 0.0003827400000000, 0.0000872000000000, 0.0002402700000000 ] - [ -0.0003497700000000, -0.0004054100000000, 0.0001642200000000 ] - [ -0.0004277100000000, 0.0008327600000000, 0.0003223300000000 ] - [ -0.0001871200000000, 0.0000704800000000, 0.0003920800000000 ] - [ -0.0007055200000000, 0.0006075600000000, -0.0001862100000000 ] - [ -0.0002830600000000, 0.0001095300000000, 0.0005286800000000 ] - [ -0.0002828300000000, 0.0004268300000000, -0.0000925100000000 ] - [ 0.0004000200000000, -0.0007168200000000, 0.0000016500000000 ] - [ -0.0001412500000000, -0.0006220900000000, 0.0010227800000000 ] - [ -0.0005399200000000, 0.0011137600000000, -0.0008673900000000 ] - [ -0.0000144400000000, -0.0008348900000000, -0.0000774000000000 ] - [ 0.0010288900000000, 0.0011535500000000, -0.0003566200000000 ] - [ -0.0008942200000000, -0.0002741600000000, -0.0004671900000000 ] - [ -0.0004155500000000, 0.0008086100000000, -0.0007671500000000 ] - [ -0.0010687700000000, 0.0012008900000000, -0.0001631300000000 ] - [ 0.0000748200000000, -0.0009063700000000, -0.0010894100000000 ] - [ -0.0028642200000000, -0.0017557700000000, 0.0003653100000000 ] - [ 0.0020206100000000, -0.0011329700000000, 0.0003863500000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007406400000000, 0.0030455700000000, -0.0013416600000000 ] - [ -0.0001786600000000, 0.0002888700000000, 0.0004504300000000 ] - [ -0.0000337300000000, 0.0001477100000000, -0.0000821000000000 ] - [ -0.0001204400000000, -0.0000512900000000, 0.0000216300000000 ] - [ -0.0017533800000000, -0.0132362400000000, 0.0039671200000000 ] - [ 0.0000222500000000, 0.0019088200000000, 0.0002729800000000 ] - [ -0.0000030400000000, 0.0023283600000000, -0.0001430100000000 ] - [ 0.0002821800000000, 0.0003162700000000, 0.0006073400000000 ] - [ 0.0003918800000000, -0.0020199200000000, -0.0030644600000000 ] - [ 0.0009768100000000, 0.0010696500000000, -0.0011798000000000 ] - [ 0.0000312800000000, 0.0013544000000000, -0.0000508700000000 ] - [ -0.0006187100000000, -0.0014714000000000, 0.0002882900000000 ] - [ 0.0001179400000000, -0.0033338300000000, -0.0000489200000000 ] - [ 0.0011397600000000, 0.0001037900000000, -0.0003395300000000 ] - [ 0.0000686500000000, 0.0010602300000000, 0.0000554600000000 ] - [ 0.0058156500000000, 0.0095880900000000, -0.0024626600000000 ] - [ 0.0002514000000000, 0.0015115700000000, 0.0000271600000000 ] - [ -0.0014852300000000, 0.0041931800000000, -0.0000433100000000 ] - [ -0.0186289300000000, -0.0975340000000000, -0.1185718000000000 ] - [ -0.0004623000000000, 0.0008978700000000, -0.0001395900000000 ] - [ -0.0068290300000000, -0.0006233800000000, -0.0025318400000000 ] - [ 0.0008522600000000, -0.0003771100000000, -0.0012442100000000 ] - [ 0.0054339100000000, -0.0001394000000000, 0.0027491000000000 ] - [ -0.0001867100000000, 0.0018958000000000, 0.0013595000000000 ] - [ -0.0007156200000000, 0.0001686800000000, -0.0002417900000000 ] - [ 0.0005028100000000, -0.0021226300000000, 0.0010992100000000 ] - [ 0.0002242500000000, 0.0009742200000000, -0.0001060000000000 ] - [ 0.0003789400000000, 0.0025112300000000, 0.0010619700000000 ] - [ 0.0013981300000000, -0.0009365000000000, 0.0008400900000000 ] - [ -0.0012600600000000, -0.0021928500000000, -0.0011049600000000 ] - [ -0.0001947700000000, 0.0011731900000000, -0.0005083800000000 ] - [ 0.0001248300000000, -0.0011245500000000, 0.0008061300000000 ] - [ -0.0002498000000000, 0.0025589300000000, -0.0007768700000000 ] - [ 0.0001337300000000, 0.0017503300000000, 0.0029288200000000 ] - [ -0.0000560300000000, 0.0015894100000000, -0.0000885300000000 ] - [ -0.0035242100000000, 0.0012814100000000, -0.0008066900000000 ] - [ -0.0006051500000000, 0.0018926700000000, 0.0012932300000000 ] - [ 0.0002986100000000, 0.0005740200000000, 0.0005427800000000 ] - [ -0.0004670000000000, 0.0007535800000000, 0.0077479100000000 ] - [ 0.0023194600000000, 0.0006179200000000, -0.0022371900000000 ] - [ -0.0009037000000000, -0.0014996100000000, -0.0004524700000000 ] - [ 0.0005317700000000, -0.0000572500000000, 0.0001122100000000 ] - [ -0.0011485700000000, 0.0005799100000000, -0.0018816900000000 ] - [ -0.0004827400000000, -0.0001893800000000, -0.0000863800000000 ] - [ -0.0001750700000000, -0.0005986500000000, -0.0004066600000000 ] - [ 0.0011984000000000, 0.0007177700000000, 0.0015634700000000 ] - [ -0.0005474400000000, -0.0009781900000000, 0.0001663000000000 ] - [ 0.0015567400000000, -0.0036942700000000, 0.0004350800000000 ] - [ 0.0001500200000000, -0.0001181400000000, -0.0000124800000000 ] - [ -0.0008009300000000, -0.0011475600000000, 0.0003260700000000 ] - [ 0.0006114000000000, -0.0008319700000000, -0.0000274700000000 ] - [ 0.0195815900000000, 0.1175779700000000, 0.1358489000000000 ] - [ -0.0004566700000000, -0.0000843000000000, 0.0010450500000000 ] - [ -0.0010235300000000, 0.0010173600000000, 0.0001392900000000 ] - [ -0.0053085300000000, -0.0012012200000000, 0.0036971600000000 ] - [ -0.0001662200000000, -0.0002372900000000, -0.0003930500000000 ] - [ 0.0035906300000000, 0.0062952100000000, 0.0196144200000000 ] - [ 0.0008901700000000, 0.0013912800000000, -0.0001112100000000 ] - [ 0.0002587400000000, -0.0006013700000000, 0.0001215900000000 ] - [ -0.0001958900000000, -0.0003663000000000, -0.0000858100000000 ] - [ 0.0001973500000000, -0.0003181200000000, 0.0004294800000000 ] - [ -0.0039963300000000, -0.0021839500000000, -0.0079303800000000 ] - [ -0.0004918300000000, -0.0003623600000000, 0.0000776600000000 ] - [ -0.0007556900000000, -0.0007150900000000, -0.0001678200000000 ] - [ 0.0034448000000000, -0.0018983400000000, 0.0092718100000000 ] - [ -0.0002537100000000, 0.0002113900000000, -0.0001223300000000 ] - [ -0.0022027400000000, 0.0019401500000000, -0.0015420800000000 ] - [ 0.0007142300000000, -0.0005910400000000, 0.0008687100000000 ] - [ -0.0001293700000000, 0.0012891200000000, -0.0010854000000000 ] - [ 0.0003244700000000, -0.0007956900000000, -0.0003207000000000 ] - [ -0.0002717800000000, -0.0003941400000000, 0.0000637600000000 ] - [ 0.0013132000000000, -0.0019889500000000, -0.0005286200000000 ] - [ 0.0002135300000000, -0.0011817600000000, 0.0006847800000000 ] - [ -0.0151614400000000, -0.0161827800000000, -0.0222288600000000 ] - [ -0.0000216500000000, -0.0004369200000000, -0.0006085800000000 ] - [ 0.0002230800000000, -0.0003104900000000, -0.0006533900000000 ] - [ 0.0125614900000000, -0.0039195000000000, -0.0052463100000000 ] - [ 0.0004421700000000, -0.0009516200000000, -0.0004978500000000 ] - [ -0.0008121900000000, -0.0010953100000000, 0.0003535700000000 ] - [ 0.0006265200000000, -0.0008375600000000, -0.0000054400000000 ] - [ -0.0014143500000000, -0.0003748800000000, 0.0017636200000000 ] - [ 0.0008565000000000, 0.0006608500000000, -0.0003902100000000 ] - [ 0.0007457800000000, -0.0006119400000000, 0.0000488600000000 ] - [ 0.0040118300000000, 0.0001822700000000, -0.0156980400000000 ] - [ 0.0002162000000000, 0.0004664400000000, -0.0001594900000000 ] - [ -0.0004720700000000, -0.0009543900000000, 0.0002959300000000 ] - [ 0.0013066300000000, 0.0001983500000000, -0.0016441300000000 ] - [ 0.0000571200000000, 0.0005031800000000, 0.0005736600000000 ] - [ -0.0000007700000000, -0.0001673400000000, -0.0004034800000000 ] - [ -0.0003358000000000, -0.0012511200000000, 0.0010398300000000 ] - [ 0.0003930800000000, 0.0001047600000000, -0.0000962900000000 ] - [ 0.0002190200000000, -0.0005308800000000, 0.0002447700000000 ] - [ -0.0018375600000000, -0.0019775000000000, -0.0022241700000000 ] - [ -0.0002008900000000, -0.0004210500000000, -0.0000020200000000 ] - [ -0.0007019600000000, -0.0014821100000000, -0.0003898900000000 ] - [ -0.0005025400000000, 0.0013180700000000, -0.0001880700000000 ] - [ 0.0003322600000000, -0.0011488700000000, 0.0002592500000000 ] - [ 0.0003787700000000, -0.0003287600000000, -0.0000187400000000 ] - [ -0.0017741400000000, 0.0012626200000000, 0.0008562800000000 ] - [ -0.0001997200000000, 0.0007173700000000, -0.0009958300000000 ] - [ 0.0006251700000000, -0.0010880300000000, -0.0011505600000000 ] - [ 0.0001592200000000, -0.0002200000000000, -0.0000431800000000 ] - [ -0.0007292300000000, -0.0011749100000000, -0.0009815800000000 ] - [ -0.0006079100000000, 0.0000691300000000, -0.0004588500000000 ] - [ 0.0003658700000000, -0.0010111700000000, 0.0000020500000000 ] - [ -0.0003396500000000, -0.0009331400000000, -0.0002788500000000 ] - [ -0.0003223800000000, -0.0003501700000000, 0.0000612800000000 ] - [ 0.0006316300000000, -0.0011983000000000, 0.0002166600000000 ] - [ -0.0002598800000000, -0.0003924200000000, -0.0003144300000000 ] - [ -0.0003355900000000, 0.0008967700000000, 0.0003252500000000 ] - [ -0.0004011400000000, 0.0005884100000000, -0.0006183300000000 ] - [ 0.0007726400000000, -0.0013166700000000, 0.0001339300000000 ] - [ 0.0005403000000000, 0.0016990100000000, 0.0001905600000000 ] - [ -0.0000726000000000, -0.0008163600000000, 0.0000643700000000 ] - [ 0.0012460700000000, 0.0013610000000000, -0.0002794800000000 ] - [ 0.0004210800000000, -0.0006961100000000, 0.0006256500000000 ] - [ 0.0001379200000000, -0.0004826000000000, 0.0002737300000000 ] - [ 0.0004663100000000, 0.0008725400000000, 0.0006863600000000 ] - [ 0.0018417800000000, 0.0015052500000000, -0.0002404200000000 ] - [ -0.0009925700000000, 0.0008789800000000, -0.0005153200000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002409600000000, 0.0015695800000000, 0.0026602300000000 ] - [ 0.0001368600000000, -0.0004196300000000, -0.0015820000000000 ] - [ 0.0005974600000000, -0.0004228100000000, 0.0014352000000000 ] - [ -0.0002577500000000, 0.0002065300000000, -0.0012096600000000 ] - [ -0.0132748700000000, -0.0024858100000000, 0.0344150900000000 ] - [ -0.0003246900000000, -0.0004642000000000, -0.0006349200000000 ] - [ 0.0001355600000000, -0.0005494900000000, 0.0007400800000000 ] - [ 0.0003023800000000, -0.0005294000000000, -0.0023022900000000 ] - [ -0.0025007000000000, 0.0027289800000000, -0.0184783000000000 ] - [ -0.0001216100000000, 0.0004497000000000, 0.0031046500000000 ] - [ -0.0001453200000000, -0.0007556200000000, 0.0002820500000000 ] - [ 0.0021071800000000, 0.0024104600000000, -0.0018529500000000 ] - [ -0.0014435800000000, 0.0007107000000000, 0.0009375000000000 ] - [ 0.0009944200000000, 0.0013061700000000, -0.0051297300000000 ] - [ 0.0002446900000000, -0.0012033600000000, -0.0003360100000000 ] - [ -0.0078611300000000, -0.0088788900000000, 0.0058972600000000 ] - [ 0.0002498500000000, 0.0007937400000000, -0.0021242500000000 ] - [ 0.0017051100000000, -0.0015193200000000, 0.0021523600000000 ] - [ 0.0448784700000000, 0.1212169600000000, 0.3917981800000000 ] - [ -0.0002925000000000, 0.0011065900000000, -0.0016365200000000 ] - [ 0.0102833300000000, -0.0006666600000000, 0.0061560000000000 ] - [ 0.0037019700000000, 0.0042030300000000, -0.0003483000000000 ] - [ -0.0126707400000000, -0.0032982000000000, -0.0041292100000000 ] - [ -0.0001353800000000, -0.0028111000000000, -0.0014863300000000 ] - [ -0.0034160300000000, 0.0026572900000000, -0.0022151700000000 ] - [ 0.0014527600000000, -0.0000382900000000, -0.0084466500000000 ] - [ 0.0000816600000000, 0.0007901000000000, 0.0007741800000000 ] - [ 0.0001163600000000, -0.0032733400000000, 0.0025681600000000 ] - [ -0.0020418100000000, 0.0009942500000000, -0.0053868000000000 ] - [ 0.0012019600000000, 0.0013628900000000, 0.0051224100000000 ] - [ -0.0006136100000000, -0.0007604600000000, 0.0015283800000000 ] - [ -0.0024821200000000, -0.0016000200000000, -0.0056227500000000 ] - [ 0.0003182500000000, 0.0030449400000000, 0.0021174700000000 ] - [ -0.0004205700000000, -0.0014977000000000, -0.0016641400000000 ] - [ -0.0001780800000000, 0.0021334300000000, -0.0001117500000000 ] - [ -0.0117159700000000, 0.0137063700000000, 0.0034619100000000 ] - [ 0.0017231400000000, -0.0037105900000000, -0.0051698400000000 ] - [ 0.0007620900000000, -0.0007131800000000, -0.0015584300000000 ] - [ 0.0057701000000000, -0.0063780600000000, -0.0163803600000000 ] - [ 0.0047186900000000, 0.0080065500000000, 0.0035788000000000 ] - [ 0.0003820100000000, 0.0005071100000000, -0.0019605600000000 ] - [ 0.0001731200000000, -0.0000217400000000, 0.0012004400000000 ] - [ 0.0040698700000000, -0.0010451300000000, 0.0036060000000000 ] - [ -0.0002445600000000, 0.0000820100000000, -0.0008205300000000 ] - [ 0.0004631400000000, 0.0014553100000000, 0.0007104000000000 ] - [ -0.0028658900000000, -0.0010565900000000, -0.0037131400000000 ] - [ -0.0003753000000000, -0.0005300000000000, -0.0000493400000000 ] - [ -0.0003524700000000, 0.0028355400000000, -0.0009192800000000 ] - [ 0.0008417900000000, -0.0009829000000000, 0.0022648100000000 ] - [ 0.0014549000000000, 0.0033613900000000, -0.0005319400000000 ] - [ 0.0005308200000000, -0.0004894400000000, 0.0004278200000000 ] - [ -0.0239550000000000, -0.1419813900000000, -0.5409259000000000 ] - [ -0.0010373400000000, -0.0012873700000000, -0.0012831500000000 ] - [ -0.0009013100000000, 0.0001053900000000, 0.0027640500000000 ] - [ -0.0130761400000000, -0.0111771200000000, 0.0023142200000000 ] - [ -0.0003165700000000, 0.0006703500000000, 0.0006663100000000 ] - [ 0.0112296200000000, -0.0034172000000000, 0.0479224800000000 ] - [ 0.0040222300000000, 0.0023274100000000, 0.0040365900000000 ] - [ -0.0005958200000000, 0.0015484900000000, -0.0000310900000000 ] - [ -0.0006859300000000, -0.0016969800000000, 0.0006408200000000 ] - [ 0.0005979800000000, -0.0009605400000000, 0.0000967600000000 ] - [ 0.0098786000000000, 0.0094634900000000, 0.0130714800000000 ] - [ -0.0030590700000000, -0.0035513400000000, 0.0017450900000000 ] - [ -0.0006667500000000, -0.0006358600000000, 0.0007298600000000 ] - [ 0.0131697900000000, -0.0198754900000000, 0.0191812400000000 ] - [ 0.0002047400000000, 0.0001811400000000, 0.0044810800000000 ] - [ -0.0018213600000000, 0.0014864200000000, 0.0049856400000000 ] - [ 0.0037522300000000, -0.0032698000000000, 0.0028866700000000 ] - [ -0.0016148500000000, -0.0008654300000000, 0.0061798500000000 ] - [ -0.0001993900000000, 0.0008970600000000, 0.0005276700000000 ] - [ -0.0001581100000000, -0.0001556500000000, 0.0015806400000000 ] - [ -0.0018549400000000, 0.0029200500000000, -0.0006487600000000 ] - [ 0.0000396700000000, 0.0010811100000000, -0.0013153100000000 ] - [ 0.0122830100000000, 0.0197386700000000, 0.0034563500000000 ] - [ 0.0005294900000000, 0.0013674300000000, -0.0004327400000000 ] - [ -0.0002774300000000, 0.0005230600000000, 0.0010548100000000 ] - [ -0.0169973900000000, 0.0093325400000000, 0.0018931200000000 ] - [ 0.0000133200000000, 0.0002786000000000, -0.0009168600000000 ] - [ -0.0007513000000000, -0.0006965400000000, -0.0003261200000000 ] - [ 0.0007465400000000, -0.0005300600000000, -0.0002982200000000 ] - [ 0.0006105700000000, -0.0018475100000000, -0.0046602000000000 ] - [ -0.0005742200000000, -0.0002452300000000, 0.0040168700000000 ] - [ 0.0009301800000000, -0.0006875400000000, 0.0006588200000000 ] - [ -0.0133515800000000, 0.0151856900000000, 0.0298932500000000 ] - [ 0.0007327500000000, -0.0001190200000000, 0.0004359500000000 ] - [ -0.0016208400000000, -0.0007032200000000, -0.0016544700000000 ] - [ -0.0054175000000000, -0.0008905600000000, 0.0031945900000000 ] - [ -0.0001265800000000, -0.0001697600000000, -0.0012116200000000 ] - [ 0.0001418900000000, -0.0000066700000000, 0.0033311900000000 ] - [ -0.0008029200000000, -0.0032681600000000, 0.0010087100000000 ] - [ 0.0009802200000000, -0.0001963400000000, 0.0011866600000000 ] - [ 0.0004097000000000, -0.0000253400000000, -0.0009706700000000 ] - [ 0.0015536800000000, 0.0017010400000000, 0.0008937500000000 ] - [ -0.0006517000000000, 0.0005010000000000, 0.0007941900000000 ] - [ 0.0004925800000000, 0.0007742300000000, -0.0005611500000000 ] - [ 0.0002323600000000, 0.0004953700000000, 0.0019676900000000 ] - [ 0.0002139000000000, 0.0000208200000000, -0.0008196800000000 ] - [ 0.0004092500000000, 0.0000412900000000, 0.0002921500000000 ] - [ -0.0020766600000000, -0.0006632000000000, 0.0001330000000000 ] - [ 0.0002005200000000, 0.0009365100000000, 0.0005025000000000 ] - [ -0.0007899300000000, 0.0065892600000000, 0.0050186300000000 ] - [ 0.0001299400000000, -0.0001077900000000, -0.0001110700000000 ] - [ 0.0003825800000000, 0.0000895000000000, 0.0001778500000000 ] - [ 0.0003599000000000, 0.0003822000000000, 0.0011238100000000 ] - [ -0.0003806600000000, 0.0006549600000000, 0.0003340000000000 ] - [ -0.0002913900000000, -0.0000863000000000, 0.0010729000000000 ] - [ -0.0003686300000000, 0.0000281900000000, -0.0000152200000000 ] - [ -0.0009395700000000, 0.0007410300000000, 0.0009785600000000 ] - [ -0.0003261500000000, -0.0000944000000000, 0.0008003100000000 ] - [ -0.0009946400000000, -0.0008067600000000, 0.0005347500000000 ] - [ -0.0000297100000000, -0.0008371200000000, 0.0037231100000000 ] - [ 0.0006845600000000, -0.0043330800000000, -0.0028361100000000 ] - [ 0.0001349400000000, 0.0004938400000000, -0.0026185700000000 ] - [ 0.0005531900000000, 0.0002930000000000, -0.0008409400000000 ] - [ 0.0030588400000000, -0.0006097700000000, -0.0013811000000000 ] - [ 0.0021733000000000, -0.0045144500000000, 0.0035445100000000 ] - [ -0.0000461600000000, -0.0002595400000000, -0.0003303600000000 ] - [ -0.0001391500000000, -0.0009060500000000, -0.0027657200000000 ] - [ -0.0029766800000000, -0.0008450200000000, -0.0004559500000000 ] - [ 0.0035989700000000, -0.0000632400000000, 0.0004402800000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004031600000000, -0.0015872500000000, -0.0026476000000000 ] - [ -0.0002927000000000, 0.0004239500000000, 0.0015832400000000 ] - [ -0.0004412000000000, 0.0004233900000000, -0.0014324600000000 ] - [ 0.0001051600000000, -0.0002080900000000, 0.0012095100000000 ] - [ 0.0151813400000000, 0.0015774000000000, -0.0384238400000000 ] - [ 0.0003226300000000, 0.0013030200000000, 0.0006412100000000 ] - [ -0.0001357700000000, 0.0009417500000000, -0.0007452700000000 ] - [ 0.0008707000000000, 0.0005325200000000, 0.0023005800000000 ] - [ 0.0025057900000000, -0.0031281900000000, 0.0184367100000000 ] - [ -0.0010580400000000, -0.0004628400000000, -0.0030980200000000 ] - [ 0.0001453000000000, -0.0000814200000000, -0.0002845500000000 ] - [ -0.0021050200000000, -0.0015717600000000, 0.0018613700000000 ] - [ 0.0014505000000000, -0.0003251800000000, -0.0009493200000000 ] - [ 0.0001763700000000, -0.0013155700000000, 0.0051378900000000 ] - [ -0.0002418700000000, 0.0008127400000000, 0.0003390300000000 ] - [ 0.0067354600000000, 0.0089466700000000, -0.0059109600000000 ] - [ 0.0004222400000000, 0.0000588800000000, 0.0016371200000000 ] - [ -0.0023918200000000, 0.0023859900000000, -0.0016632200000000 ] - [ -0.0417888100000000, -0.1122247100000000, -0.3703688500000000 ] - [ -0.0004661800000000, -0.0012562900000000, 0.0011744400000000 ] - [ -0.0094958900000000, 0.0008044900000000, -0.0066368600000000 ] - [ -0.0036906800000000, -0.0036057700000000, 0.0005283700000000 ] - [ 0.0119759900000000, 0.0034534900000000, 0.0045826000000000 ] - [ 0.0001424600000000, 0.0022300200000000, 0.0016463800000000 ] - [ 0.0034070600000000, -0.0020659900000000, 0.0020527800000000 ] - [ -0.0007807600000000, -0.0008254600000000, 0.0089433300000000 ] - [ 0.0006792300000000, -0.0009368900000000, -0.0003041500000000 ] - [ -0.0001244400000000, 0.0026960500000000, -0.0027589200000000 ] - [ 0.0027287200000000, -0.0001413500000000, 0.0049016500000000 ] - [ -0.0018815200000000, -0.0005034800000000, -0.0046237000000000 ] - [ -0.0000636300000000, -0.0000967300000000, -0.0020150900000000 ] - [ 0.0017211700000000, 0.0014375000000000, 0.0051640600000000 ] - [ 0.0004373700000000, -0.0028883600000000, -0.0025878300000000 ] - [ 0.0004143600000000, 0.0020836700000000, 0.0018510500000000 ] - [ -0.0005789900000000, -0.0019762100000000, 0.0005718500000000 ] - [ 0.0117526000000000, -0.0143149300000000, -0.0033597700000000 ] - [ -0.0017162400000000, 0.0042876700000000, 0.0050101300000000 ] - [ -0.0000863600000000, -0.0001411000000000, 0.0020448900000000 ] - [ -0.0050189500000000, 0.0062266900000000, 0.0168379400000000 ] - [ -0.0046920300000000, -0.0085639500000000, -0.0037558600000000 ] - [ -0.0003812600000000, -0.0003804300000000, 0.0021177300000000 ] - [ 0.0010182300000000, 0.0004655900000000, -0.0008993900000000 ] - [ -0.0028963300000000, 0.0006061700000000, -0.0039166100000000 ] - [ -0.0009472800000000, 0.0003621300000000, 0.0005171200000000 ] - [ -0.0005214600000000, -0.0012717800000000, -0.0010359600000000 ] - [ 0.0016720400000000, 0.0006144100000000, 0.0040207100000000 ] - [ -0.0005547300000000, -0.0001889500000000, -0.0000640400000000 ] - [ 0.0013150700000000, -0.0031894500000000, 0.0012142300000000 ] - [ -0.0008345900000000, 0.0008619400000000, -0.0021185700000000 ] - [ -0.0017004300000000, -0.0035807500000000, 0.0012703400000000 ] - [ 0.0003984600000000, -0.0002295900000000, -0.0003176400000000 ] - [ 0.0186969800000000, 0.1320077100000000, 0.5228797200000000 ] - [ 0.0010328000000000, 0.0011682500000000, 0.0011276300000000 ] - [ -0.0000555000000000, 0.0002357600000000, -0.0024736700000000 ] - [ 0.0131609500000000, 0.0110085500000000, -0.0026041700000000 ] - [ -0.0002099500000000, 0.0001940200000000, -0.0007771800000000 ] - [ -0.0104098700000000, 0.0024446100000000, -0.0471544000000000 ] - [ -0.0029837500000000, -0.0020568600000000, -0.0039101300000000 ] - [ 0.0002488800000000, -0.0004618900000000, 0.0007809400000000 ] - [ 0.0004493500000000, 0.0018918400000000, -0.0013691400000000 ] - [ -0.0003612300000000, 0.0011526800000000, 0.0006263100000000 ] - [ -0.0090301200000000, -0.0088924000000000, -0.0133779400000000 ] - [ 0.0026949100000000, 0.0024472400000000, -0.0024830600000000 ] - [ -0.0002875900000000, 0.0003023900000000, -0.0010233700000000 ] - [ -0.0133594400000000, 0.0199706900000000, -0.0191515400000000 ] - [ -0.0007318200000000, -0.0010456600000000, -0.0043692600000000 ] - [ 0.0007821500000000, -0.0012173800000000, -0.0051065400000000 ] - [ -0.0033872800000000, 0.0021637100000000, -0.0021330200000000 ] - [ 0.0010827000000000, 0.0009036500000000, -0.0066005100000000 ] - [ 0.0002618500000000, -0.0007194400000000, -0.0002068100000000 ] - [ -0.0003830800000000, 0.0001218800000000, -0.0011765200000000 ] - [ 0.0020959600000000, -0.0031271200000000, -0.0000734900000000 ] - [ 0.0004889300000000, -0.0002186500000000, 0.0014314800000000 ] - [ -0.0113484200000000, -0.0194128600000000, -0.0038648900000000 ] - [ -0.0001831000000000, -0.0002792400000000, -0.0003090600000000 ] - [ 0.0002802700000000, -0.0004077400000000, -0.0011938100000000 ] - [ 0.0161254500000000, -0.0086550000000000, -0.0017400600000000 ] - [ 0.0005301200000000, -0.0003146800000000, 0.0005082600000000 ] - [ -0.0002761900000000, 0.0004398500000000, 0.0004531800000000 ] - [ 0.0002806600000000, 0.0002736900000000, 0.0001757300000000 ] - [ -0.0006199600000000, 0.0019624300000000, 0.0048155600000000 ] - [ 0.0017719600000000, 0.0006935500000000, -0.0037174700000000 ] - [ 0.0002638800000000, 0.0002416300000000, -0.0009573500000000 ] - [ 0.0120031700000000, -0.0145277100000000, -0.0299756000000000 ] - [ -0.0007892700000000, 0.0002991400000000, -0.0007614600000000 ] - [ 0.0004327700000000, 0.0002581900000000, 0.0019597000000000 ] - [ 0.0044704600000000, 0.0001704600000000, -0.0032987700000000 ] - [ 0.0010893000000000, -0.0001670800000000, 0.0015030000000000 ] - [ -0.0001398900000000, -0.0001083000000000, -0.0031911200000000 ] - [ 0.0005677400000000, 0.0030615200000000, -0.0002761900000000 ] - [ -0.0000484900000000, -0.0005193800000000, -0.0010762600000000 ] - [ 0.0001323200000000, 0.0000590100000000, 0.0013769500000000 ] - [ -0.0015673200000000, -0.0018289800000000, -0.0010504400000000 ] - [ -0.0003047500000000, -0.0001661500000000, -0.0005001400000000 ] - [ -0.0004297000000000, -0.0009541500000000, 0.0002414300000000 ] - [ -0.0007630800000000, 0.0003719000000000, -0.0020766900000000 ] - [ 0.0003130600000000, -0.0008853600000000, 0.0007061200000000 ] - [ 0.0006178700000000, 0.0002127000000000, -0.0001678500000000 ] - [ 0.0017257600000000, 0.0017532800000000, 0.0006146200000000 ] - [ -0.0004337400000000, -0.0007270500000000, -0.0012349200000000 ] - [ 0.0010291000000000, -0.0063725700000000, -0.0042853800000000 ] - [ 0.0007981200000000, 0.0008240400000000, 0.0000017300000000 ] - [ -0.0007319900000000, -0.0011801400000000, -0.0009261200000000 ] - [ -0.0013214600000000, -0.0007228000000000, -0.0014171900000000 ] - [ 0.0003200100000000, -0.0008362900000000, -0.0000075900000000 ] - [ -0.0002361900000000, -0.0007783700000000, -0.0009605000000000 ] - [ -0.0006593100000000, 0.0002255500000000, -0.0001102400000000 ] - [ 0.0012846500000000, -0.0018285300000000, -0.0002353000000000 ] - [ -0.0002161900000000, 0.0001276700000000, -0.0012035800000000 ] - [ 0.0010534900000000, 0.0009842500000000, -0.0002140500000000 ] - [ -0.0005143900000000, 0.0008041700000000, -0.0033210800000000 ] - [ -0.0004481800000000, 0.0041364100000000, 0.0021237000000000 ] - [ 0.0003947600000000, 0.0003702600000000, 0.0027333600000000 ] - [ 0.0004055700000000, 0.0000461300000000, 0.0005472100000000 ] - [ -0.0027213300000000, 0.0016987900000000, 0.0006516500000000 ] - [ -0.0021899000000000, 0.0046590900000000, -0.0036986000000000 ] - [ -0.0008821100000000, 0.0009760800000000, 0.0004436200000000 ] - [ 0.0006807600000000, 0.0008703900000000, 0.0023532000000000 ] - [ 0.0019511300000000, 0.0005934300000000, 0.0005839000000000 ] - [ -0.0025876300000000, -0.0001884500000000, -0.0005542900000000 ]- atom: 56 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004877300000000, 0.0000270200000000, 0.0000475200000000 ] - [ 0.0011404600000000, 0.0002395900000000, -0.0002940700000000 ] - [ -0.0002811000000000, -0.0000326100000000, -0.0000006100000000 ] - [ -0.0011222600000000, 0.0005271500000000, 0.0002615800000000 ] - [ 0.0012120000000000, 0.0000321500000000, 0.0004809800000000 ] - [ 0.0023629300000000, -0.0004633300000000, 0.0027774900000000 ] - [ 0.0150930100000000, -0.0003214000000000, 0.0009952700000000 ] - [ -0.0006200600000000, -0.0007516900000000, 0.0008282000000000 ] - [ 0.0003590600000000, -0.0000193400000000, -0.0002495200000000 ] - [ -0.0015080600000000, 0.0001140300000000, 0.0007932800000000 ] - [ -0.0044739000000000, -0.0016854900000000, -0.0009164200000000 ] - [ -0.0003664500000000, 0.0005881300000000, 0.0000356400000000 ] - [ -0.0012467800000000, 0.0006241900000000, -0.0000254100000000 ] - [ -0.0012555600000000, -0.0025814600000000, -0.0006148100000000 ] - [ -0.0009553500000000, -0.0005319000000000, 0.0001292000000000 ] - [ 0.0003291000000000, 0.0000065100000000, -0.0005701300000000 ] - [ 0.0749728200000000, -0.0644625800000000, -0.0609510000000000 ] - [ 0.0019212500000000, 0.0002132200000000, 0.0014156000000000 ] - [ 0.0000469600000000, -0.0001705100000000, -0.0002453000000000 ] - [ -0.0004138900000000, 0.0004403200000000, -0.0026190100000000 ] - [ 0.0005780400000000, -0.0008930500000000, -0.0005477500000000 ] - [ -0.0000981300000000, 0.0007620500000000, -0.0001015600000000 ] - [ -0.0005489000000000, 0.0018796100000000, 0.0000160900000000 ] - [ -0.0026575800000000, -0.0030809800000000, -0.0007529400000000 ] - [ 0.0001670400000000, -0.0001076700000000, 0.0001548400000000 ] - [ 0.0015883200000000, -0.0005426800000000, 0.0004296900000000 ] - [ 0.0001555100000000, -0.0004453200000000, 0.0005591000000000 ] - [ -0.0058980100000000, 0.0018630300000000, 0.0016371600000000 ] - [ -0.0005348000000000, 0.0006483100000000, -0.0003954600000000 ] - [ -0.0008953600000000, 0.0007180700000000, 0.0000631700000000 ] - [ -0.0011886500000000, -0.0009025600000000, -0.0006366000000000 ] - [ -0.0002569200000000, 0.0006876500000000, -0.0002348400000000 ] - [ -0.0030661700000000, -0.0028250500000000, 0.0027136200000000 ] - [ -0.0002432300000000, 0.0009192000000000, 0.0004551900000000 ] - [ -0.0048635900000000, 0.0065841600000000, -0.0146135800000000 ] - [ -0.0005016200000000, -0.0018836500000000, -0.0001876700000000 ] - [ -0.0001736000000000, 0.0005048200000000, -0.0008224500000000 ] - [ -0.0037787700000000, -0.0010286300000000, 0.0001882800000000 ] - [ 0.0002634200000000, -0.0001381900000000, 0.0001304000000000 ] - [ -0.0008246600000000, 0.0028199200000000, -0.0022683300000000 ] - [ 0.0013890400000000, -0.0010314700000000, -0.0018669000000000 ] - [ 0.0025044300000000, 0.0002281800000000, 0.0012134400000000 ] - [ 0.0010675400000000, -0.0006106200000000, 0.0002125900000000 ] - [ -0.0003926800000000, 0.0002481800000000, -0.0002008700000000 ] - [ -0.0007252000000000, -0.0003178900000000, -0.0000232500000000 ] - [ -0.0003802800000000, -0.0000630000000000, 0.0004200300000000 ] - [ -0.0004038000000000, -0.0000922700000000, -0.0004090600000000 ] - [ -0.0005178800000000, 0.0004849600000000, 0.0001913700000000 ] - [ -0.0000942100000000, 0.0002789900000000, -0.0002773500000000 ] - [ 0.0005992200000000, -0.0016519400000000, 0.0007784600000000 ] - [ -0.0002603900000000, 0.0000621600000000, 0.0005799800000000 ] - [ 0.0000432800000000, -0.0000803500000000, 0.0001494500000000 ] - [ 0.0000284200000000, -0.0001627000000000, -0.0002103800000000 ] - [ -0.0010178800000000, 0.0013778500000000, 0.0001753300000000 ] - [ -0.0006661200000000, -0.0012009400000000, 0.0000716800000000 ] - [ -0.1011586600000000, 0.0828158300000000, 0.0794819600000000 ] - [ 0.0001642400000000, -0.0005120100000000, -0.0000338700000000 ] - [ 0.0003101900000000, -0.0001052700000000, 0.0000413500000000 ] - [ 0.0061696200000000, -0.0062477600000000, -0.0076893700000000 ] - [ -0.0001277800000000, -0.0002582500000000, 0.0000041300000000 ] - [ 0.0001518100000000, 0.0003269300000000, 0.0003533900000000 ] - [ 0.0002270600000000, -0.0001667700000000, -0.0001435700000000 ] - [ -0.0002683400000000, -0.0007191500000000, -0.0002609800000000 ] - [ -0.0065571300000000, 0.0141648000000000, 0.0059558000000000 ] - [ -0.0004098600000000, 0.0002923100000000, 0.0000950300000000 ] - [ -0.0005438600000000, -0.0006307900000000, 0.0001517400000000 ] - [ -0.0005128000000000, 0.0001015000000000, 0.0000037400000000 ] - [ -0.0000680400000000, -0.0004374400000000, 0.0003606200000000 ] - [ -0.0006148300000000, -0.0000316800000000, -0.0004289300000000 ] - [ 0.0003485500000000, -0.0004161500000000, -0.0005118000000000 ] - [ -0.0091295300000000, -0.0033372700000000, -0.0106557200000000 ] - [ 0.0005299400000000, 0.0011137100000000, 0.0002025700000000 ] - [ -0.0010539100000000, 0.0005708800000000, -0.0004502500000000 ] - [ 0.0001191200000000, -0.0000948100000000, -0.0000775900000000 ] - [ 0.0009758300000000, 0.0043269700000000, 0.0041943600000000 ] - [ 0.0005943700000000, 0.0011070100000000, -0.0002451300000000 ] - [ -0.0008132700000000, 0.0005192500000000, 0.0000286700000000 ] - [ -0.0001229700000000, -0.0000066000000000, -0.0006694000000000 ] - [ 0.0061417800000000, 0.0073502300000000, -0.0101953300000000 ] - [ 0.0023304800000000, -0.0051447800000000, 0.0083600600000000 ] - [ -0.0000078100000000, -0.0003885100000000, 0.0011561600000000 ] - [ 0.0001486200000000, -0.0000420600000000, 0.0002714400000000 ] - [ 0.0189389700000000, -0.0280310300000000, -0.0006268500000000 ] - [ -0.0006853200000000, 0.0002363300000000, -0.0001125800000000 ] - [ 0.0000860900000000, 0.0001995500000000, -0.0002218100000000 ] - [ -0.0008236500000000, -0.0001842800000000, -0.0024557100000000 ] - [ -0.0003489400000000, -0.0003596100000000, -0.0000461100000000 ] - [ 0.0009380900000000, -0.0005666800000000, 0.0000994400000000 ] - [ 0.0004398900000000, -0.0000426600000000, 0.0006886200000000 ] - [ -0.0000673100000000, -0.0047255100000000, 0.0032563300000000 ] - [ 0.0005543000000000, -0.0005638800000000, 0.0000099000000000 ] - [ 0.0009276200000000, 0.0002565000000000, 0.0007021700000000 ] - [ 0.0000207900000000, -0.0002481100000000, -0.0001591000000000 ] - [ 0.0008786000000000, -0.0002774800000000, -0.0000331700000000 ] - [ 0.0020533400000000, 0.0003385700000000, -0.0004006600000000 ] - [ 0.0000695100000000, 0.0002046700000000, -0.0001028800000000 ] - [ 0.0005407700000000, -0.0003827300000000, 0.0000573400000000 ] - [ 0.0008851600000000, 0.0003911000000000, 0.0005701600000000 ] - [ 0.0007704200000000, -0.0003920900000000, 0.0006058900000000 ] - [ -0.0001671900000000, -0.0003954500000000, -0.0004210500000000 ] - [ 0.0001142500000000, 0.0001163300000000, 0.0004609900000000 ] - [ 0.0040567600000000, 0.0007992200000000, 0.0021456200000000 ] - [ 0.0000845000000000, -0.0005341100000000, -0.0006087300000000 ] - [ -0.0000273700000000, 0.0000845900000000, -0.0001813400000000 ] - [ 0.0010598300000000, 0.0004827800000000, 0.0006295100000000 ] - [ 0.0007890900000000, 0.0001728700000000, 0.0002313200000000 ] - [ -0.0002999400000000, 0.0002302200000000, -0.0002315300000000 ] - [ 0.0003746900000000, -0.0006080800000000, 0.0004398000000000 ] - [ 0.0013823600000000, 0.0002938400000000, -0.0003321700000000 ] - [ 0.0002408400000000, -0.0001416500000000, 0.0001686400000000 ] - [ -0.0000955300000000, -0.0000850600000000, 0.0002511300000000 ] - [ 0.0006265100000000, 0.0021056100000000, -0.0004011000000000 ] - [ 0.0005035100000000, 0.0003137900000000, 0.0001371800000000 ] - [ 0.0010776300000000, 0.0006796300000000, -0.0002050500000000 ] - [ 0.0009320300000000, 0.0009561200000000, -0.0004073500000000 ] - [ 0.0004597100000000, 0.0007445000000000, -0.0001791900000000 ] - [ 0.0018177700000000, 0.0006834200000000, -0.0001963800000000 ] - [ 0.0003941900000000, -0.0000932800000000, -0.0001746700000000 ] - [ -0.0003252100000000, 0.0000126800000000, 0.0000541500000000 ] - [ 0.0009226400000000, -0.0006209400000000, -0.0001792000000000 ]- atom: 56 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003331300000000, -0.0000265400000000, -0.0000487300000000 ] - [ -0.0012907200000000, -0.0002523500000000, 0.0003006600000000 ] - [ 0.0004356500000000, 0.0000327200000000, -0.0000010900000000 ] - [ 0.0009636900000000, -0.0005236400000000, -0.0002595400000000 ] - [ -0.0012098300000000, -0.0008710600000000, -0.0004791500000000 ] - [ -0.0023865900000000, 0.0013128000000000, -0.0028156000000000 ] - [ -0.0150213000000000, 0.0007717400000000, -0.0011986800000000 ] - [ 0.0017908000000000, 0.0007433800000000, -0.0008236100000000 ] - [ -0.0003591700000000, -0.0003743200000000, 0.0002480600000000 ] - [ 0.0003364300000000, -0.0001141100000000, -0.0007943200000000 ] - [ 0.0044707700000000, 0.0008462900000000, 0.0009074400000000 ] - [ 0.0003670800000000, 0.0002480600000000, -0.0000359700000000 ] - [ 0.0012451200000000, -0.0002328500000000, 0.0000247900000000 ] - [ 0.0023807600000000, 0.0025303300000000, 0.0006184000000000 ] - [ 0.0009581900000000, 0.0001446600000000, -0.0001245800000000 ] - [ -0.0014999500000000, -0.0000079500000000, 0.0005642500000000 ] - [ -0.0752955200000000, 0.0651580300000000, 0.0601813600000000 ] - [ -0.0026029900000000, 0.0006376000000000, -0.0009336800000000 ] - [ -0.0007214700000000, -0.0006858500000000, -0.0002444900000000 ] - [ -0.0003510600000000, -0.0005966700000000, 0.0021754800000000 ] - [ 0.0001810400000000, 0.0010437900000000, 0.0000801200000000 ] - [ 0.0000923700000000, -0.0001822700000000, 0.0002673200000000 ] - [ -0.0002093700000000, -0.0017302400000000, 0.0004484600000000 ] - [ 0.0026745600000000, 0.0024931900000000, 0.0008987700000000 ] - [ -0.0001611000000000, 0.0006897900000000, -0.0003137000000000 ] - [ -0.0009016500000000, -0.0003271300000000, 0.0000589400000000 ] - [ 0.0006119500000000, 0.0002965000000000, -0.0000974100000000 ] - [ 0.0058786300000000, -0.0024448000000000, -0.0018028200000000 ] - [ 0.0012097200000000, 0.0002047000000000, -0.0000894400000000 ] - [ 0.0002193900000000, 0.0001378400000000, 0.0004210700000000 ] - [ 0.0005151900000000, 0.0000458500000000, 0.0001447100000000 ] - [ -0.0004984400000000, -0.0008436700000000, -0.0002307000000000 ] - [ 0.0038158500000000, 0.0029678900000000, -0.0031638600000000 ] - [ 0.0002532400000000, -0.0003473200000000, -0.0002935500000000 ] - [ 0.0041412400000000, -0.0064575000000000, 0.0149707700000000 ] - [ 0.0005057600000000, 0.0012978100000000, 0.0003639600000000 ] - [ 0.0001693600000000, 0.0000772600000000, 0.0006466100000000 ] - [ 0.0044652200000000, 0.0001758700000000, 0.0003028200000000 ] - [ 0.0004942600000000, -0.0000182200000000, 0.0003314300000000 ] - [ 0.0008183400000000, -0.0033972400000000, 0.0020997100000000 ] - [ -0.0013910400000000, 0.0011487700000000, 0.0020109000000000 ] - [ -0.0013232100000000, 0.0002196500000000, -0.0009284600000000 ] - [ 0.0001238600000000, 0.0001666900000000, -0.0005134700000000 ] - [ -0.0008009100000000, 0.0001976600000000, -0.0000977200000000 ] - [ 0.0006710200000000, 0.0004976700000000, -0.0002960300000000 ] - [ -0.0008099600000000, -0.0003816600000000, -0.0001187300000000 ] - [ -0.0005278800000000, -0.0006292300000000, 0.0003016500000000 ] - [ 0.0014764200000000, -0.0008212100000000, 0.0001037200000000 ] - [ 0.0000973400000000, -0.0003937500000000, 0.0004138300000000 ] - [ -0.0008312700000000, 0.0014530400000000, -0.0000500400000000 ] - [ 0.0011966600000000, -0.0007838900000000, -0.0004737500000000 ] - [ 0.0004987300000000, 0.0001142300000000, 0.0002562400000000 ] - [ -0.0000308800000000, 0.0000471000000000, 0.0000678700000000 ] - [ 0.0000548000000000, -0.0010212000000000, 0.0001173400000000 ] - [ 0.0007260800000000, 0.0010176000000000, -0.0003964700000000 ] - [ 0.1012613800000000, -0.0812591100000000, -0.0791757500000000 ] - [ 0.0003630800000000, -0.0003519900000000, -0.0000787000000000 ] - [ 0.0007182700000000, 0.0003618000000000, 0.0000851400000000 ] - [ -0.0065209900000000, 0.0073866400000000, 0.0084977300000000 ] - [ -0.0001041400000000, 0.0004608300000000, -0.0007364600000000 ] - [ 0.0000807900000000, -0.0001299200000000, 0.0003727600000000 ] - [ 0.0007021800000000, 0.0008860200000000, 0.0000325000000000 ] - [ -0.0000786900000000, -0.0003686600000000, -0.0004845500000000 ] - [ 0.0056444000000000, -0.0144416600000000, -0.0061945000000000 ] - [ 0.0003485200000000, -0.0004706800000000, 0.0002274200000000 ] - [ 0.0000166600000000, -0.0002282500000000, -0.0000384600000000 ] - [ -0.0005144700000000, 0.0001552300000000, -0.0001287100000000 ] - [ 0.0004162200000000, -0.0006512500000000, 0.0003828500000000 ] - [ 0.0000715000000000, 0.0000681800000000, 0.0000200100000000 ] - [ -0.0002939900000000, 0.0006056800000000, 0.0008470100000000 ] - [ 0.0085138600000000, 0.0033116400000000, 0.0109806700000000 ] - [ -0.0002974900000000, -0.0013115200000000, -0.0009283400000000 ] - [ 0.0015825600000000, 0.0002948600000000, 0.0005599300000000 ] - [ 0.0008381700000000, 0.0004317600000000, -0.0002148300000000 ] - [ -0.0006417900000000, -0.0032174600000000, -0.0048991400000000 ] - [ -0.0005884200000000, -0.0009840800000000, 0.0001085100000000 ] - [ -0.0001162600000000, 0.0001990500000000, 0.0000824900000000 ] - [ 0.0006674200000000, -0.0000267200000000, 0.0002672000000000 ] - [ -0.0071878000000000, -0.0076728500000000, 0.0104142200000000 ] - [ -0.0013419800000000, 0.0048613700000000, -0.0084166400000000 ] - [ 0.0000053000000000, 0.0005044500000000, -0.0010097500000000 ] - [ 0.0010411700000000, 0.0004882400000000, 0.0000286000000000 ] - [ -0.0173515600000000, 0.0270384700000000, 0.0002614700000000 ] - [ -0.0005059700000000, 0.0002095500000000, -0.0001860800000000 ] - [ -0.0001473600000000, -0.0000194900000000, -0.0001043700000000 ] - [ -0.0003670500000000, -0.0002589400000000, 0.0027685900000000 ] - [ -0.0005784400000000, -0.0003569400000000, -0.0000653800000000 ] - [ 0.0000198400000000, 0.0002294300000000, 0.0001943000000000 ] - [ -0.0004263000000000, -0.0000716600000000, -0.0005390400000000 ] - [ -0.0001725900000000, 0.0045089900000000, -0.0025113000000000 ] - [ 0.0003722000000000, -0.0001528900000000, 0.0001011700000000 ] - [ -0.0003855500000000, -0.0002221200000000, -0.0002935000000000 ] - [ -0.0000256600000000, 0.0001355500000000, 0.0000213000000000 ] - [ -0.0018371700000000, 0.0006172900000000, 0.0003249300000000 ] - [ -0.0019883300000000, -0.0005165800000000, 0.0000766100000000 ] - [ -0.0005952800000000, 0.0006592700000000, -0.0000111700000000 ] - [ -0.0000141300000000, -0.0004817500000000, -0.0001690100000000 ] - [ 0.0001431300000000, -0.0001372000000000, -0.0004496500000000 ] - [ -0.0011164300000000, 0.0014788900000000, 0.0001393300000000 ] - [ -0.0000685600000000, 0.0005974800000000, -0.0003076800000000 ] - [ 0.0001202800000000, 0.0000864600000000, 0.0002701200000000 ] - [ -0.0031214600000000, -0.0000770600000000, -0.0022413400000000 ] - [ -0.0004362800000000, -0.0005552200000000, -0.0001375400000000 ] - [ -0.0009283600000000, -0.0004188100000000, -0.0001135400000000 ] - [ -0.0011227200000000, -0.0006597900000000, -0.0002999700000000 ] - [ -0.0013170300000000, -0.0010402700000000, -0.0001246900000000 ] - [ -0.0007311700000000, 0.0000252100000000, 0.0001051800000000 ] - [ -0.0000207900000000, -0.0004836100000000, 0.0003060500000000 ] - [ -0.0019272300000000, -0.0002607900000000, -0.0000725900000000 ] - [ -0.0001784700000000, 0.0003220100000000, 0.0001556600000000 ] - [ -0.0004461000000000, 0.0000523600000000, 0.0001520700000000 ] - [ -0.0003937400000000, -0.0023135100000000, -0.0003305400000000 ] - [ 0.0000239800000000, 0.0005497100000000, -0.0000234000000000 ] - [ -0.0001204800000000, -0.0003427800000000, -0.0000877000000000 ] - [ -0.0005815400000000, 0.0001337200000000, -0.0003403500000000 ] - [ -0.0004484200000000, -0.0006221000000000, 0.0000270900000000 ] - [ -0.0027449300000000, 0.0000337600000000, 0.0003078900000000 ] - [ 0.0001484100000000, 0.0000597700000000, -0.0002293400000000 ] - [ -0.0007017400000000, -0.0002679600000000, 0.0000710800000000 ] - [ 0.0001054600000000, 0.0003661200000000, 0.0000530100000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000623200000000, -0.0001857300000000, -0.0007960600000000 ] - [ -0.0004586800000000, 0.0016563500000000, 0.0002111600000000 ] - [ 0.0001337200000000, -0.0001053200000000, 0.0000355700000000 ] - [ 0.0003523000000000, -0.0006022700000000, -0.0001709700000000 ] - [ -0.0002461300000000, -0.0033970100000000, 0.0000760100000000 ] - [ -0.0014789400000000, 0.0030414700000000, -0.0033173900000000 ] - [ -0.0000244500000000, 0.0160067500000000, -0.0067454200000000 ] - [ -0.0018226300000000, -0.0003596900000000, 0.0019695200000000 ] - [ -0.0001164300000000, -0.0018920100000000, 0.0002376900000000 ] - [ 0.0003426700000000, 0.0000345000000000, -0.0013070600000000 ] - [ 0.0011286600000000, 0.0044158100000000, 0.0004504300000000 ] - [ 0.0000460900000000, -0.0009614600000000, -0.0000384800000000 ] - [ 0.0001397100000000, -0.0022087000000000, 0.0000541800000000 ] - [ -0.0080597300000000, -0.0110295600000000, -0.0000707400000000 ] - [ 0.0001741300000000, 0.0014169500000000, -0.0003020200000000 ] - [ -0.0012100800000000, -0.0002976900000000, 0.0003045700000000 ] - [ -0.0616277900000000, 0.2150311100000000, 0.1469707100000000 ] - [ 0.0001071000000000, 0.0027980800000000, -0.0005316400000000 ] - [ -0.0003038600000000, -0.0018069200000000, -0.0004766500000000 ] - [ 0.0000596100000000, 0.0012935200000000, 0.0014489700000000 ] - [ 0.0004151200000000, -0.0033190000000000, -0.0009655300000000 ] - [ 0.0006000300000000, -0.0002157700000000, 0.0003097100000000 ] - [ 0.0003590800000000, -0.0031194300000000, 0.0002141100000000 ] - [ -0.0102150300000000, -0.0021649600000000, -0.0005429600000000 ] - [ -0.0004832800000000, -0.0004868100000000, 0.0016743700000000 ] - [ 0.0018980600000000, -0.0060568000000000, 0.0000875100000000 ] - [ 0.0008907900000000, 0.0013135700000000, -0.0003254000000000 ] - [ 0.0072648300000000, -0.0019270200000000, -0.0021854100000000 ] - [ 0.0008434300000000, -0.0018477100000000, 0.0002502300000000 ] - [ -0.0006859300000000, -0.0010432300000000, -0.0001406100000000 ] - [ -0.0000950200000000, 0.0010802100000000, -0.0007152900000000 ] - [ 0.0000938600000000, -0.0022477400000000, -0.0008675800000000 ] - [ -0.0004265000000000, 0.0007151600000000, 0.0008272300000000 ] - [ 0.0008878400000000, 0.0000086600000000, -0.0011459100000000 ] - [ 0.0043802800000000, -0.0023121800000000, 0.0143615800000000 ] - [ -0.0002471300000000, -0.0024121800000000, 0.0027756900000000 ] - [ -0.0013871300000000, 0.0004815600000000, -0.0035092100000000 ] - [ 0.0015047100000000, 0.0028898700000000, 0.0005076500000000 ] - [ 0.0001248800000000, -0.0017480100000000, -0.0002875400000000 ] - [ 0.0010046300000000, -0.0038291300000000, 0.0023478500000000 ] - [ -0.0018531100000000, 0.0014092600000000, 0.0026138000000000 ] - [ -0.0003916000000000, -0.0006886100000000, -0.0003868900000000 ] - [ -0.0001220000000000, 0.0007196200000000, -0.0006666700000000 ] - [ -0.0006303600000000, -0.0001254400000000, 0.0001296300000000 ] - [ 0.0006397000000000, -0.0004802600000000, 0.0013010500000000 ] - [ -0.0001555100000000, 0.0005090100000000, 0.0008045400000000 ] - [ -0.0008995700000000, -0.0013037200000000, 0.0005222200000000 ] - [ 0.0009214600000000, -0.0010587800000000, 0.0001437700000000 ] - [ 0.0006339600000000, 0.0004261600000000, -0.0014772000000000 ] - [ -0.0010812200000000, 0.0019671000000000, 0.0000571100000000 ] - [ 0.0010148600000000, -0.0017565500000000, -0.0006216800000000 ] - [ 0.0002802400000000, 0.0006869000000000, 0.0004403200000000 ] - [ -0.0001163100000000, 0.0000108400000000, 0.0002499900000000 ] - [ -0.0020426700000000, 0.0056519500000000, 0.0003327700000000 ] - [ 0.0005129900000000, 0.0014476300000000, -0.0005150200000000 ] - [ 0.0798612400000000, -0.2689515500000000, -0.1775562100000000 ] - [ 0.0001841600000000, 0.0002058600000000, -0.0001422200000000 ] - [ 0.0008397200000000, 0.0009635900000000, 0.0002939800000000 ] - [ -0.0106133200000000, 0.0061887800000000, 0.0099033900000000 ] - [ -0.0001738700000000, -0.0002174800000000, -0.0007070600000000 ] - [ 0.0000787900000000, -0.0005760500000000, -0.0000101300000000 ] - [ 0.0004923600000000, 0.0018466000000000, 0.0002988800000000 ] - [ -0.0003240600000000, -0.0000285600000000, -0.0008180300000000 ] - [ 0.0073533800000000, 0.0311610500000000, 0.0178607700000000 ] - [ -0.0004018300000000, 0.0012710600000000, -0.0003219600000000 ] - [ -0.0000602500000000, 0.0022100400000000, 0.0003884400000000 ] - [ -0.0006831300000000, 0.0008607100000000, 0.0000081400000000 ] - [ 0.0001440000000000, -0.0000705300000000, 0.0000428100000000 ] - [ -0.0004667100000000, 0.0016294000000000, -0.0008476200000000 ] - [ -0.0003748000000000, 0.0002469900000000, 0.0009594600000000 ] - [ -0.0008301400000000, -0.0066855600000000, 0.0031480300000000 ] - [ 0.0014869000000000, 0.0029328400000000, 0.0008250900000000 ] - [ 0.0001265600000000, -0.0016411500000000, 0.0014477600000000 ] - [ 0.0008619700000000, 0.0009209400000000, -0.0001517700000000 ] - [ 0.0095624400000000, 0.0058011600000000, 0.0090082200000000 ] - [ 0.0028822900000000, 0.0013051800000000, -0.0002201100000000 ] - [ -0.0007190200000000, 0.0016387500000000, 0.0001489400000000 ] - [ 0.0002483000000000, -0.0006606100000000, 0.0004045600000000 ] - [ 0.0029808400000000, -0.0005487700000000, -0.0048064500000000 ] - [ -0.0026887700000000, -0.0011978500000000, -0.0073940600000000 ] - [ -0.0000220900000000, 0.0005125500000000, -0.0008685400000000 ] - [ 0.0005762000000000, 0.0011817800000000, 0.0002865800000000 ] - [ -0.0177279900000000, 0.0105702600000000, -0.0003723700000000 ] - [ -0.0008087000000000, 0.0006878000000000, 0.0002007700000000 ] - [ 0.0003244700000000, 0.0007976400000000, -0.0004324000000000 ] - [ -0.0009637200000000, -0.0006994600000000, -0.0007653300000000 ] - [ -0.0001577200000000, 0.0002525600000000, -0.0000092300000000 ] - [ 0.0001237000000000, 0.0005720200000000, 0.0004003100000000 ] - [ 0.0019046800000000, 0.0004244400000000, 0.0025365300000000 ] - [ -0.0008350900000000, 0.0030041200000000, -0.0026126300000000 ] - [ -0.0000218800000000, 0.0003886800000000, 0.0002839900000000 ] - [ 0.0001108500000000, -0.0008693900000000, 0.0002617000000000 ] - [ -0.0000652800000000, 0.0001936500000000, 0.0003596300000000 ] - [ 0.0001925400000000, -0.0012288300000000, -0.0002073100000000 ] - [ -0.0022395600000000, -0.0016365700000000, 0.0002364500000000 ] - [ -0.0004909300000000, 0.0015263900000000, 0.0001225400000000 ] - [ 0.0003125500000000, -0.0011006700000000, 0.0003941900000000 ] - [ 0.0000976700000000, -0.0006420000000000, -0.0003261600000000 ] - [ -0.0011220300000000, 0.0019145200000000, 0.0001092000000000 ] - [ -0.0005683100000000, 0.0010386400000000, 0.0001657100000000 ] - [ 0.0002212000000000, 0.0012145800000000, 0.0011972900000000 ] - [ -0.0027183600000000, -0.0008089100000000, -0.0023504500000000 ] - [ -0.0005871400000000, -0.0008609100000000, -0.0000416000000000 ] - [ 0.0001180100000000, 0.0009802500000000, -0.0004457900000000 ] - [ 0.0025714200000000, -0.0025531400000000, 0.0000472900000000 ] - [ -0.0008691800000000, -0.0018194800000000, -0.0003567200000000 ] - [ -0.0005107000000000, -0.0004966500000000, 0.0002007400000000 ] - [ 0.0010202200000000, -0.0011207900000000, 0.0009643500000000 ] - [ -0.0006029000000000, -0.0012499200000000, -0.0002609800000000 ] - [ -0.0002671100000000, 0.0005944300000000, 0.0001651500000000 ] - [ -0.0003160700000000, 0.0006994700000000, -0.0002496900000000 ] - [ 0.0002755400000000, -0.0003984400000000, -0.0008584600000000 ] - [ 0.0003810600000000, 0.0012034600000000, -0.0001283900000000 ] - [ -0.0001089100000000, -0.0007557100000000, 0.0001448400000000 ] - [ 0.0007800800000000, 0.0014842300000000, -0.0009488600000000 ] - [ 0.0014978300000000, 0.0018659100000000, -0.0023169400000000 ] - [ -0.0000711900000000, -0.0002149000000000, -0.0001520800000000 ] - [ 0.0003157900000000, 0.0004841000000000, 0.0001415900000000 ] - [ -0.0000598200000000, 0.0011729500000000, -0.0000775700000000 ] - [ -0.0000921300000000, 0.0010641800000000, 0.0001991700000000 ]- atom: 56 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000922000000000, 0.0001898700000000, 0.0007985100000000 ] - [ 0.0002693200000000, -0.0013923000000000, -0.0003315300000000 ] - [ 0.0000206600000000, 0.0001027900000000, -0.0000335300000000 ] - [ -0.0005062000000000, 0.0006020500000000, 0.0001688100000000 ] - [ 0.0002455900000000, 0.0025610700000000, -0.0000859700000000 ] - [ 0.0014597400000000, -0.0022057900000000, 0.0032963600000000 ] - [ -0.0000081000000000, -0.0155031400000000, 0.0066263300000000 ] - [ 0.0029901600000000, 0.0003640900000000, -0.0019715700000000 ] - [ 0.0001164800000000, 0.0015044500000000, -0.0002265400000000 ] - [ -0.0015155400000000, -0.0000290700000000, 0.0013113900000000 ] - [ -0.0011330600000000, -0.0052519700000000, -0.0004541700000000 ] - [ -0.0000458000000000, 0.0018035300000000, 0.0000411600000000 ] - [ -0.0001376700000000, 0.0026001300000000, -0.0000571000000000 ] - [ 0.0093064700000000, 0.0111078300000000, 0.0000560900000000 ] - [ -0.0001699900000000, -0.0018153700000000, 0.0003050600000000 ] - [ 0.0000409600000000, 0.0002865100000000, -0.0002992400000000 ] - [ 0.0660193300000000, -0.2212765100000000, -0.1565964800000000 ] - [ -0.0007791800000000, -0.0019498700000000, 0.0010431100000000 ] - [ -0.0003751700000000, 0.0009492800000000, -0.0000082200000000 ] - [ -0.0008191300000000, -0.0014403200000000, -0.0019196000000000 ] - [ 0.0003421200000000, 0.0034805500000000, 0.0004978500000000 ] - [ -0.0005993600000000, 0.0008066900000000, -0.0001408100000000 ] - [ -0.0011112300000000, 0.0032829600000000, 0.0002437900000000 ] - [ 0.0102475100000000, 0.0016086600000000, 0.0006853700000000 ] - [ 0.0004842900000000, 0.0010756400000000, -0.0018310100000000 ] - [ -0.0012443300000000, 0.0052185400000000, 0.0003936100000000 ] - [ -0.0001282900000000, -0.0014596700000000, 0.0007941500000000 ] - [ -0.0073069600000000, 0.0013728700000000, 0.0020316900000000 ] - [ -0.0001651600000000, 0.0027068900000000, -0.0007390800000000 ] - [ 0.0000101300000000, 0.0019028500000000, 0.0006296800000000 ] - [ -0.0005793500000000, -0.0019351700000000, 0.0002359600000000 ] - [ -0.0008581100000000, 0.0020950900000000, 0.0004118500000000 ] - [ 0.0011514800000000, -0.0006052200000000, -0.0012646800000000 ] - [ -0.0008876700000000, 0.0005574000000000, 0.0013225300000000 ] - [ -0.0050705700000000, 0.0023986600000000, -0.0140490600000000 ] - [ 0.0002508500000000, 0.0018202400000000, -0.0026497400000000 ] - [ 0.0014009800000000, 0.0000875100000000, 0.0033802700000000 ] - [ -0.0008388700000000, -0.0037489000000000, -0.0000313400000000 ] - [ 0.0006366200000000, 0.0015992900000000, 0.0007619200000000 ] - [ -0.0010098300000000, 0.0032339700000000, -0.0025159400000000 ] - [ 0.0018507000000000, -0.0012953700000000, -0.0024712900000000 ] - [ 0.0015878300000000, 0.0011322900000000, 0.0006932800000000 ] - [ 0.0013128700000000, -0.0011660100000000, 0.0003681500000000 ] - [ -0.0005623400000000, 0.0005697300000000, -0.0004351300000000 ] - [ -0.0006949800000000, 0.0006742100000000, -0.0016384100000000 ] - [ -0.0010370400000000, -0.0009555800000000, -0.0005034400000000 ] - [ -0.0000316200000000, 0.0005837100000000, -0.0006344100000000 ] - [ 0.0000323300000000, 0.0007302200000000, 0.0001438300000000 ] - [ -0.0006264300000000, -0.0005439800000000, 0.0016166200000000 ] - [ 0.0008475900000000, -0.0021791100000000, 0.0006735000000000 ] - [ -0.0000828400000000, 0.0010359700000000, 0.0007329600000000 ] - [ 0.0002627800000000, -0.0006532800000000, -0.0000352800000000 ] - [ 0.0001117100000000, -0.0001299200000000, -0.0003969600000000 ] - [ 0.0010957700000000, -0.0053553300000000, -0.0000384800000000 ] - [ -0.0004482900000000, -0.0016240400000000, 0.0001925900000000 ] - [ -0.0842766900000000, 0.2770794000000000, 0.1873362600000000 ] - [ 0.0003438700000000, -0.0010704900000000, 0.0000261800000000 ] - [ 0.0001894200000000, -0.0007089500000000, -0.0001720800000000 ] - [ 0.0102242700000000, -0.0050814900000000, -0.0090875900000000 ] - [ -0.0000613900000000, 0.0004121300000000, -0.0000198000000000 ] - [ 0.0001560300000000, 0.0007697200000000, 0.0007324700000000 ] - [ 0.0004331800000000, -0.0011313800000000, -0.0004068800000000 ] - [ -0.0000282700000000, -0.0010630000000000, 0.0000683400000000 ] - [ -0.0084923100000000, -0.0322890000000000, -0.0186211800000000 ] - [ 0.0003397900000000, -0.0014503600000000, 0.0006535500000000 ] - [ -0.0004626800000000, -0.0030738900000000, -0.0002818900000000 ] - [ -0.0003458200000000, -0.0006067100000000, -0.0001371700000000 ] - [ 0.0002068300000000, -0.0010211700000000, 0.0006982900000000 ] - [ -0.0000720800000000, -0.0015999400000000, 0.0004518000000000 ] - [ 0.0004294000000000, -0.0000547900000000, -0.0006293400000000 ] - [ 0.0003103600000000, 0.0067733400000000, -0.0027109800000000 ] - [ -0.0012536500000000, -0.0031387900000000, -0.0015516400000000 ] - [ 0.0004023100000000, 0.0025063200000000, -0.0013537600000000 ] - [ 0.0000972600000000, -0.0005801500000000, -0.0001434400000000 ] - [ -0.0091871500000000, -0.0047052500000000, -0.0096710600000000 ] - [ -0.0028719600000000, -0.0011889500000000, 0.0000921800000000 ] - [ -0.0002088100000000, -0.0009242700000000, -0.0000359200000000 ] - [ 0.0002943700000000, 0.0006272500000000, -0.0008221200000000 ] - [ -0.0039750600000000, 0.0003526800000000, 0.0049106500000000 ] - [ 0.0036421000000000, 0.0010538300000000, 0.0072804800000000 ] - [ 0.0000175300000000, -0.0003899800000000, 0.0010129600000000 ] - [ 0.0006246100000000, -0.0007364800000000, 0.0000101200000000 ] - [ 0.0192825600000000, -0.0111099700000000, 0.0000205000000000 ] - [ -0.0003815700000000, -0.0002435400000000, -0.0005069600000000 ] - [ -0.0003851000000000, -0.0006196900000000, 0.0001060500000000 ] - [ -0.0002252300000000, 0.0002585500000000, 0.0010486200000000 ] - [ -0.0007734200000000, -0.0009720400000000, -0.0001045200000000 ] - [ 0.0008350200000000, -0.0009122800000000, -0.0001075400000000 ] - [ -0.0019248600000000, -0.0005427300000000, -0.0024218000000000 ] - [ 0.0005997300000000, -0.0031867800000000, 0.0033533400000000 ] - [ 0.0009533000000000, -0.0011077400000000, -0.0001751700000000 ] - [ 0.0004312900000000, 0.0009023500000000, 0.0001388200000000 ] - [ 0.0000596100000000, -0.0003054000000000, -0.0005066800000000 ] - [ -0.0011463200000000, 0.0015626200000000, 0.0005023600000000 ] - [ 0.0023041900000000, 0.0014519700000000, -0.0005628900000000 ] - [ -0.0000365200000000, -0.0006633700000000, -0.0002343100000000 ] - [ 0.0002140000000000, 0.0002391400000000, -0.0005121500000000 ] - [ 0.0009307300000000, 0.0008983700000000, 0.0004519200000000 ] - [ 0.0007732400000000, -0.0008241200000000, 0.0006367600000000 ] - [ 0.0003367400000000, -0.0008338500000000, -0.0009002100000000 ] - [ 0.0000136700000000, -0.0010165200000000, -0.0004778200000000 ] - [ 0.0036421200000000, 0.0015345500000000, 0.0022643600000000 ] - [ 0.0002391100000000, -0.0002241500000000, -0.0007055700000000 ] - [ -0.0010760600000000, -0.0013200400000000, 0.0001519900000000 ] - [ -0.0026357900000000, 0.0023676800000000, 0.0002797000000000 ] - [ 0.0003438500000000, 0.0009605900000000, 0.0004725500000000 ] - [ -0.0005184400000000, 0.0007518600000000, -0.0003270300000000 ] - [ -0.0006790600000000, 0.0000383300000000, -0.0002264600000000 ] - [ 0.0000640800000000, 0.0012836800000000, -0.0001374800000000 ] - [ 0.0003288400000000, -0.0004176100000000, 0.0001579100000000 ] - [ -0.0002269700000000, -0.0007351800000000, 0.0006555300000000 ] - [ -0.0000359600000000, 0.0002300400000000, 0.0001396400000000 ] - [ 0.0001458200000000, -0.0003403000000000, 0.0002416200000000 ] - [ 0.0010656800000000, 0.0010905900000000, -0.0004407600000000 ] - [ -0.0004330100000000, -0.0003941500000000, 0.0002104800000000 ] - [ -0.0015095600000000, -0.0017583600000000, 0.0022002200000000 ] - [ -0.0008421600000000, 0.0009392600000000, 0.0002592500000000 ] - [ 0.0002265200000000, -0.0005196800000000, -0.0005497600000000 ] - [ -0.0009681000000000, -0.0014298600000000, 0.0002031100000000 ] - [ 0.0011192300000000, -0.0013214400000000, -0.0003235000000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000048200000000, -0.0004689200000000, -0.0015725600000000 ] - [ -0.0000942900000000, -0.0007560900000000, 0.0030925600000000 ] - [ 0.0002488100000000, 0.0001149800000000, -0.0007623200000000 ] - [ 0.0000789000000000, -0.0002898300000000, 0.0007163800000000 ] - [ 0.0000095700000000, -0.0013728200000000, 0.0006766000000000 ] - [ -0.0081016700000000, 0.0023297200000000, -0.0182752400000000 ] - [ 0.0003756700000000, -0.0017949800000000, 0.0498686200000000 ] - [ 0.0003595300000000, 0.0006716100000000, 0.0029526000000000 ] - [ -0.0002452300000000, -0.0003896100000000, -0.0007063000000000 ] - [ 0.0001389000000000, -0.0002489300000000, -0.0025332000000000 ] - [ 0.0004178500000000, 0.0008397100000000, 0.0009403900000000 ] - [ 0.0002169500000000, 0.0000728200000000, -0.0003505400000000 ] - [ -0.0000985700000000, -0.0003678500000000, 0.0002838200000000 ] - [ -0.0049907000000000, -0.0064705700000000, 0.0012219000000000 ] - [ 0.0005253800000000, 0.0001290500000000, -0.0009770200000000 ] - [ -0.0015237900000000, 0.0006900300000000, -0.0026280800000000 ] - [ -0.0546619500000000, 0.1428093600000000, 0.2055038500000000 ] - [ -0.0010183700000000, 0.0023578400000000, -0.0068995100000000 ] - [ 0.0000001000000000, -0.0007635600000000, -0.0015372400000000 ] - [ -0.0048770400000000, 0.0015774000000000, 0.0000862800000000 ] - [ 0.0005768000000000, -0.0032955400000000, -0.0008977800000000 ] - [ -0.0001145100000000, 0.0010175100000000, -0.0017894800000000 ] - [ -0.0006180300000000, -0.0027883500000000, 0.0015610200000000 ] - [ -0.0118619600000000, -0.0061171300000000, 0.0056155600000000 ] - [ 0.0002397500000000, 0.0013127400000000, -0.0002404400000000 ] - [ 0.0013762300000000, -0.0024768600000000, 0.0017666200000000 ] - [ 0.0037638400000000, 0.0016355200000000, -0.0037595800000000 ] - [ 0.0083847600000000, -0.0042816700000000, -0.0016632900000000 ] - [ 0.0007207400000000, -0.0001724000000000, 0.0010341900000000 ] - [ -0.0007057000000000, -0.0004120500000000, -0.0011737700000000 ] - [ 0.0005686600000000, -0.0001661800000000, -0.0039207200000000 ] - [ 0.0002357700000000, -0.0023266700000000, -0.0002559100000000 ] - [ 0.0044113500000000, 0.0054035700000000, -0.0044690900000000 ] - [ 0.0039416000000000, -0.0044510600000000, -0.0018462000000000 ] - [ -0.0081948200000000, 0.0077005400000000, 0.0236250500000000 ] - [ 0.0004933100000000, 0.0009456500000000, 0.0040142800000000 ] - [ -0.0027389400000000, -0.0026607500000000, -0.0021050700000000 ] - [ -0.0006515400000000, -0.0002147000000000, 0.0043406500000000 ] - [ 0.0000766500000000, -0.0015235900000000, -0.0009486500000000 ] - [ 0.0000441300000000, 0.0005294700000000, -0.0000174600000000 ] - [ -0.0020934500000000, 0.0019218800000000, 0.0032145200000000 ] - [ 0.0024180000000000, 0.0001629400000000, -0.0010306100000000 ] - [ 0.0001902900000000, 0.0003387700000000, -0.0011879600000000 ] - [ -0.0018244300000000, 0.0005042700000000, 0.0021992800000000 ] - [ 0.0033279900000000, 0.0025549400000000, 0.0017445200000000 ] - [ -0.0001397200000000, 0.0004253000000000, 0.0010486800000000 ] - [ -0.0025704000000000, -0.0023755100000000, 0.0031266000000000 ] - [ 0.0013296500000000, -0.0015524600000000, 0.0019807700000000 ] - [ -0.0004834800000000, -0.0007051500000000, -0.0004468400000000 ] - [ -0.0012467600000000, 0.0028792200000000, -0.0009404600000000 ] - [ 0.0042376800000000, -0.0023070700000000, 0.0012161800000000 ] - [ 0.0001908000000000, 0.0003539200000000, 0.0009243500000000 ] - [ 0.0001693500000000, 0.0000740200000000, 0.0014573800000000 ] - [ -0.0010887000000000, 0.0029438200000000, -0.0001885900000000 ] - [ -0.0001106900000000, -0.0000497100000000, -0.0003278000000000 ] - [ 0.0776352500000000, -0.1779216200000000, -0.3335226400000000 ] - [ 0.0002410000000000, -0.0003474900000000, 0.0006285700000000 ] - [ 0.0007243800000000, 0.0007066100000000, 0.0003190600000000 ] - [ -0.0127212000000000, 0.0103011600000000, 0.0087595000000000 ] - [ 0.0005384300000000, -0.0014384300000000, 0.0000633400000000 ] - [ -0.0003450900000000, -0.0008540400000000, 0.0005953000000000 ] - [ 0.0008017400000000, 0.0012157600000000, -0.0003986300000000 ] - [ -0.0000729200000000, -0.0007215000000000, 0.0000134100000000 ] - [ 0.0028183500000000, 0.0172656100000000, -0.0041319600000000 ] - [ 0.0001060600000000, -0.0001429600000000, -0.0005051700000000 ] - [ -0.0003595800000000, -0.0000956500000000, -0.0000579100000000 ] - [ -0.0004841400000000, 0.0004701200000000, 0.0002400700000000 ] - [ 0.0002627400000000, -0.0007505900000000, 0.0006045800000000 ] - [ -0.0003587500000000, 0.0006482900000000, -0.0015797300000000 ] - [ -0.0029564600000000, 0.0043061700000000, 0.0048972100000000 ] - [ -0.0098614100000000, 0.0195235900000000, 0.0472332400000000 ] - [ 0.0020148300000000, 0.0038084800000000, 0.0004907500000000 ] - [ -0.0002419500000000, -0.0009747800000000, 0.0051846900000000 ] - [ 0.0005363000000000, 0.0001516900000000, 0.0003812000000000 ] - [ 0.0130014500000000, 0.0113910300000000, 0.0080986200000000 ] - [ 0.0015286500000000, 0.0015902500000000, -0.0036709300000000 ] - [ -0.0008146900000000, 0.0014156800000000, 0.0000026500000000 ] - [ 0.0007307300000000, 0.0001596300000000, 0.0042293200000000 ] - [ -0.0129424400000000, -0.0109172000000000, 0.0111105000000000 ] - [ 0.0186704400000000, -0.0171076400000000, 0.0063097600000000 ] - [ 0.0000875500000000, -0.0005501400000000, 0.0004844100000000 ] - [ 0.0005559000000000, 0.0007629500000000, -0.0002329800000000 ] - [ -0.0058012800000000, 0.0060743000000000, -0.0166760500000000 ] - [ -0.0009600000000000, 0.0005913200000000, 0.0007365400000000 ] - [ -0.0003725200000000, -0.0002440100000000, -0.0000722300000000 ] - [ -0.0006275500000000, -0.0007934900000000, 0.0037019600000000 ] - [ -0.0001765600000000, 0.0000476900000000, 0.0001550100000000 ] - [ 0.0002678100000000, 0.0003232700000000, 0.0007365900000000 ] - [ 0.0011821200000000, 0.0009525200000000, 0.0004495400000000 ] - [ 0.0001462100000000, -0.0014816200000000, -0.0024201400000000 ] - [ -0.0001445900000000, 0.0002722000000000, 0.0001871100000000 ] - [ 0.0001866400000000, 0.0001469600000000, 0.0022243600000000 ] - [ -0.0004314400000000, 0.0014588300000000, 0.0021790300000000 ] - [ -0.0000666200000000, -0.0005184100000000, -0.0010292900000000 ] - [ -0.0022648100000000, -0.0004834100000000, 0.0001381100000000 ] - [ -0.0003099500000000, 0.0006114800000000, -0.0006575000000000 ] - [ 0.0001507300000000, -0.0008866400000000, 0.0017300200000000 ] - [ 0.0015673800000000, 0.0002366100000000, 0.0003992700000000 ] - [ -0.0000586600000000, 0.0005190900000000, 0.0002526300000000 ] - [ -0.0007045700000000, 0.0019487100000000, -0.0003565100000000 ] - [ 0.0003726700000000, 0.0018521800000000, 0.0014571300000000 ] - [ 0.0016054500000000, -0.0007586000000000, -0.0035102800000000 ] - [ -0.0012757400000000, -0.0002173900000000, 0.0000216400000000 ] - [ -0.0004162700000000, 0.0000314600000000, -0.0007560400000000 ] - [ 0.0025419500000000, -0.0006869900000000, -0.0008536400000000 ] - [ -0.0004421600000000, -0.0008480700000000, -0.0012045700000000 ] - [ -0.0013993000000000, -0.0003122300000000, 0.0010810800000000 ] - [ 0.0013035100000000, -0.0003923300000000, 0.0009870600000000 ] - [ -0.0001151500000000, 0.0001495800000000, -0.0028832400000000 ] - [ 0.0001600400000000, -0.0000370400000000, 0.0004894900000000 ] - [ -0.0003502100000000, 0.0002993600000000, -0.0005611500000000 ] - [ -0.0005576200000000, -0.0039511900000000, -0.0009695100000000 ] - [ 0.0003435500000000, 0.0006176700000000, 0.0004649300000000 ] - [ -0.0000875500000000, -0.0002760500000000, 0.0008856000000000 ] - [ 0.0000079300000000, 0.0003380200000000, -0.0009998300000000 ] - [ 0.0010986100000000, 0.0008251300000000, -0.0027715200000000 ] - [ -0.0029922200000000, -0.0005542500000000, 0.0006423300000000 ] - [ 0.0003235600000000, 0.0003192600000000, 0.0008160700000000 ] - [ -0.0001197100000000, 0.0008370400000000, -0.0001729000000000 ] - [ 0.0003020900000000, 0.0005974400000000, -0.0001482800000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001488800000000, 0.0004633500000000, 0.0015666300000000 ] - [ -0.0000669500000000, 0.0007899900000000, -0.0030773400000000 ] - [ -0.0000934200000000, -0.0001132200000000, 0.0007613700000000 ] - [ -0.0002267800000000, 0.0002838400000000, -0.0007174500000000 ] - [ -0.0000132500000000, 0.0005260700000000, -0.0006693200000000 ] - [ 0.0081348400000000, -0.0014926600000000, 0.0183055500000000 ] - [ -0.0007289900000000, 0.0023534300000000, -0.0448795800000000 ] - [ 0.0008172700000000, -0.0006640000000000, -0.0029504100000000 ] - [ 0.0002441500000000, -0.0000038200000000, 0.0006977900000000 ] - [ -0.0013055200000000, 0.0002449000000000, 0.0025212800000000 ] - [ -0.0003979800000000, -0.0016618500000000, -0.0009210100000000 ] - [ -0.0002160100000000, 0.0007626500000000, 0.0003465300000000 ] - [ 0.0001016200000000, 0.0007518100000000, -0.0002794700000000 ] - [ 0.0060995600000000, 0.0063981100000000, -0.0012144500000000 ] - [ -0.0005310900000000, -0.0005161200000000, 0.0009660500000000 ] - [ 0.0003447300000000, -0.0006799200000000, 0.0026288700000000 ] - [ 0.0584001400000000, -0.1501097500000000, -0.2106714800000000 ] - [ 0.0003404600000000, -0.0014817900000000, 0.0073624700000000 ] - [ -0.0006742000000000, -0.0000921600000000, 0.0010467600000000 ] - [ 0.0041243700000000, -0.0017251400000000, -0.0005718400000000 ] - [ 0.0001826400000000, 0.0034318200000000, 0.0004351700000000 ] - [ 0.0001076800000000, -0.0004377600000000, 0.0019431100000000 ] - [ -0.0001427100000000, 0.0029204300000000, -0.0010858700000000 ] - [ 0.0118055300000000, 0.0055182800000000, -0.0053896700000000 ] - [ -0.0002320400000000, -0.0007345800000000, 0.0000663200000000 ] - [ -0.0006866100000000, 0.0016025000000000, -0.0012750000000000 ] - [ -0.0030189100000000, -0.0017952700000000, 0.0042218800000000 ] - [ -0.0083446400000000, 0.0036792800000000, 0.0014993500000000 ] - [ -0.0000411600000000, 0.0010240500000000, -0.0015175100000000 ] - [ 0.0000298600000000, 0.0012612800000000, 0.0016570500000000 ] - [ -0.0012459500000000, -0.0006859200000000, 0.0034281900000000 ] - [ -0.0009909700000000, 0.0021722400000000, -0.0002190200000000 ] - [ -0.0036494000000000, -0.0052347100000000, 0.0040039400000000 ] - [ -0.0039560700000000, 0.0050522700000000, 0.0019960900000000 ] - [ 0.0074418500000000, -0.0075652700000000, -0.0228500500000000 ] - [ -0.0004842800000000, -0.0015216500000000, -0.0038165600000000 ] - [ 0.0027445300000000, 0.0032539800000000, 0.0019138800000000 ] - [ 0.0013240200000000, -0.0006361300000000, -0.0038469100000000 ] - [ 0.0006809800000000, 0.0013696600000000, 0.0014059600000000 ] - [ -0.0000424900000000, -0.0011266500000000, -0.0001215100000000 ] - [ 0.0020731100000000, -0.0017901000000000, -0.0030483900000000 ] - [ -0.0012228600000000, 0.0002789100000000, 0.0013406400000000 ] - [ 0.0009986500000000, -0.0007797000000000, 0.0008806900000000 ] - [ 0.0006348200000000, -0.0000593100000000, -0.0024986200000000 ] - [ -0.0034004900000000, -0.0023888500000000, -0.0020591100000000 ] - [ -0.0010507600000000, -0.0008671100000000, -0.0007453700000000 ] - [ 0.0016488100000000, 0.0016676500000000, -0.0032442200000000 ] - [ -0.0003656500000000, 0.0012030800000000, -0.0016836300000000 ] - [ 0.0004856500000000, 0.0005869600000000, 0.0005949000000000 ] - [ 0.0010023400000000, -0.0030565700000000, 0.0016553900000000 ] - [ -0.0033167500000000, 0.0015946600000000, -0.0010961600000000 ] - [ 0.0003515500000000, -0.0003185400000000, -0.0005187200000000 ] - [ -0.0001725200000000, -0.0001872700000000, -0.0015912000000000 ] - [ 0.0001253000000000, -0.0025790200000000, 0.0004814200000000 ] - [ 0.0001739800000000, -0.0001237500000000, -0.0000018000000000 ] - [ -0.0810906700000000, 0.1869381500000000, 0.3331434200000000 ] - [ 0.0002861300000000, -0.0005160400000000, -0.0007384000000000 ] - [ 0.0003038000000000, -0.0004506300000000, -0.0001900400000000 ] - [ 0.0122351000000000, -0.0090789900000000, -0.0079085900000000 ] - [ -0.0007744300000000, 0.0016366400000000, -0.0007852800000000 ] - [ 0.0005808300000000, 0.0010605300000000, 0.0001361800000000 ] - [ 0.0001301500000000, -0.0004919100000000, 0.0002847100000000 ] - [ -0.0002725300000000, -0.0003663000000000, -0.0007537500000000 ] - [ -0.0037161000000000, -0.0174721600000000, 0.0040027600000000 ] - [ -0.0001654900000000, -0.0000366300000000, 0.0008241900000000 ] - [ -0.0001690200000000, -0.0007657300000000, 0.0001747200000000 ] - [ -0.0005419000000000, -0.0002149700000000, -0.0003612300000000 ] - [ 0.0000834600000000, -0.0003362000000000, 0.0001430500000000 ] - [ -0.0001842700000000, -0.0006098100000000, 0.0011673500000000 ] - [ 0.0030290200000000, -0.0041467800000000, -0.0045866500000000 ] - [ 0.0096993300000000, -0.0199536100000000, -0.0478456200000000 ] - [ -0.0017654100000000, -0.0039855200000000, -0.0012161100000000 ] - [ 0.0007683900000000, 0.0018278800000000, -0.0050394200000000 ] - [ 0.0004208000000000, 0.0001828800000000, -0.0006738500000000 ] - [ -0.0125081800000000, -0.0101552800000000, -0.0087160400000000 ] - [ -0.0015250900000000, -0.0014743200000000, 0.0035024900000000 ] - [ -0.0001162600000000, -0.0006917500000000, 0.0001068400000000 ] - [ -0.0001898600000000, -0.0001953200000000, -0.0046208200000000 ] - [ 0.0117624000000000, 0.0105260400000000, -0.0108823000000000 ] - [ -0.0174215900000000, 0.0166326900000000, -0.0063187300000000 ] - [ -0.0000896100000000, 0.0006622200000000, -0.0003528000000000 ] - [ 0.0006325000000000, -0.0003163500000000, 0.0005388000000000 ] - [ 0.0067527500000000, -0.0062780600000000, 0.0163650700000000 ] - [ -0.0002326700000000, -0.0001458000000000, -0.0010336800000000 ] - [ 0.0003110300000000, 0.0004245200000000, -0.0002503100000000 ] - [ -0.0005678200000000, 0.0003435000000000, -0.0033849200000000 ] - [ -0.0007525900000000, -0.0007649400000000, -0.0002643900000000 ] - [ 0.0006867100000000, -0.0006554900000000, -0.0004404100000000 ] - [ -0.0011671900000000, -0.0010694700000000, -0.0002865500000000 ] - [ -0.0003819800000000, 0.0012996300000000, 0.0031020100000000 ] - [ 0.0010710700000000, -0.0009886100000000, -0.0000729900000000 ] - [ 0.0003542600000000, -0.0001148600000000, -0.0018194800000000 ] - [ 0.0004320200000000, -0.0015805000000000, -0.0023191200000000 ] - [ -0.0008900800000000, 0.0008510300000000, 0.0013213600000000 ] - [ 0.0023053100000000, 0.0002974400000000, -0.0004637000000000 ] - [ -0.0002181300000000, 0.0002550800000000, 0.0005423300000000 ] - [ 0.0003775700000000, 0.0000198300000000, -0.0018385500000000 ] - [ -0.0005401400000000, 0.0000176500000000, -0.0002681800000000 ] - [ -0.0002929100000000, 0.0005753800000000, 0.0004878800000000 ] - [ 0.0004687200000000, -0.0017539800000000, -0.0003607800000000 ] - [ -0.0001393900000000, -0.0016524700000000, -0.0007242400000000 ] - [ -0.0006829700000000, 0.0014678200000000, 0.0033550300000000 ] - [ 0.0009323700000000, -0.0008745600000000, -0.0007600900000000 ] - [ -0.0005419900000000, -0.0003686800000000, 0.0004608100000000 ] - [ -0.0025908500000000, 0.0004977800000000, 0.0011653000000000 ] - [ -0.0000860700000000, -0.0000182100000000, 0.0013210200000000 ] - [ 0.0003780900000000, 0.0005664600000000, -0.0012029100000000 ] - [ -0.0009556900000000, -0.0006997200000000, -0.0002372700000000 ] - [ -0.0004271300000000, -0.0001183300000000, 0.0024689800000000 ] - [ -0.0000985300000000, 0.0002178900000000, -0.0001624700000000 ] - [ -0.0001923100000000, -0.0003317000000000, 0.0009655600000000 ] - [ 0.0007872300000000, 0.0037189600000000, 0.0002365000000000 ] - [ 0.0001834100000000, 0.0002483400000000, -0.0003523500000000 ] - [ 0.0010432500000000, 0.0006117900000000, -0.0011761700000000 ] - [ 0.0003377700000000, 0.0007498400000000, 0.0002493000000000 ] - [ -0.0010871000000000, -0.0007000500000000, 0.0026078700000000 ] - [ 0.0020365400000000, 0.0012662700000000, -0.0005301300000000 ] - [ 0.0002186300000000, -0.0003516300000000, -0.0012171000000000 ] - [ -0.0009053300000000, -0.0010861700000000, 0.0002941500000000 ] - [ 0.0007237700000000, -0.0008472600000000, 0.0000221300000000 ]- atom: 58 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002547400000000, -0.0009241900000000, -0.0004282600000000 ] - [ -0.0000506900000000, -0.0008287800000000, 0.0004370200000000 ] - [ -0.0006197000000000, -0.0000555200000000, 0.0004738700000000 ] - [ -0.0011041100000000, -0.0011396700000000, -0.0015693100000000 ] - [ 0.0005733300000000, -0.0004618200000000, -0.0013638400000000 ] - [ 0.0014665800000000, -0.0007545600000000, -0.0001439800000000 ] - [ 0.0002123200000000, -0.0001198000000000, -0.0001752800000000 ] - [ 0.0013025100000000, 0.0006038000000000, -0.0000989900000000 ] - [ 0.0281284200000000, 0.0173059600000000, -0.0053136400000000 ] - [ -0.0015958800000000, -0.0000436900000000, -0.0004775700000000 ] - [ -0.0002265600000000, -0.0007219400000000, -0.0001771900000000 ] - [ -0.0123583000000000, 0.0106781800000000, 0.0055887200000000 ] - [ -0.0002744900000000, 0.0003871300000000, -0.0006269800000000 ] - [ 0.0001992800000000, 0.0013246000000000, 0.0005746900000000 ] - [ -0.0017073900000000, -0.0017682900000000, 0.0002717900000000 ] - [ 0.0029779300000000, 0.0027184400000000, 0.0010935800000000 ] - [ 0.0011938000000000, -0.0000534100000000, -0.0007318300000000 ] - [ -0.0002659900000000, 0.0004139700000000, 0.0004862300000000 ] - [ -0.0022807100000000, 0.0052057400000000, -0.0077706000000000 ] - [ -0.0007449700000000, -0.0012004100000000, 0.0000554800000000 ] - [ 0.0015798100000000, 0.0001902200000000, -0.0001644200000000 ] - [ -0.0041207500000000, -0.0012522800000000, -0.0003165700000000 ] - [ -0.0015116100000000, 0.0001820900000000, -0.0003431500000000 ] - [ 0.0003043100000000, -0.0005442100000000, -0.0000492500000000 ] - [ 0.0099802200000000, 0.0026800800000000, 0.0020294700000000 ] - [ 0.0151922300000000, 0.0112823900000000, 0.0071425500000000 ] - [ 0.0007286100000000, -0.0013029900000000, 0.0004672100000000 ] - [ -0.0003164700000000, -0.0005908400000000, -0.0003784500000000 ] - [ -0.0010281500000000, 0.0026465500000000, -0.0035645000000000 ] - [ -0.0004752400000000, 0.0020139700000000, 0.0033198400000000 ] - [ -0.0003998600000000, -0.0011360700000000, 0.0000819200000000 ] - [ 0.2195790200000000, 0.1295382000000000, 0.1479492900000000 ] - [ 0.0000389500000000, 0.0004195200000000, -0.0004023900000000 ] - [ -0.0002851200000000, -0.0073954000000000, 0.0071871100000000 ] - [ -0.0000582900000000, -0.0001091100000000, -0.0003865100000000 ] - [ -0.0010974500000000, 0.0003001500000000, -0.0003236500000000 ] - [ -0.0018944700000000, 0.0031643700000000, 0.0017541300000000 ] - [ -0.0002829700000000, -0.0011911200000000, 0.0000301400000000 ] - [ -0.0111308500000000, 0.0082454300000000, -0.0062619300000000 ] - [ 0.0012179100000000, 0.0005924600000000, -0.0008031500000000 ] - [ 0.0002406200000000, 0.0002284100000000, 0.0003469900000000 ] - [ 0.0010170900000000, 0.0005824200000000, -0.0001301600000000 ] - [ 0.0018503700000000, -0.0008050200000000, 0.0008600200000000 ] - [ -0.0006629800000000, 0.0004214700000000, -0.0002318600000000 ] - [ -0.0003598800000000, -0.0004928800000000, -0.0003342200000000 ] - [ -0.0013586000000000, -0.0005789200000000, -0.0004560200000000 ] - [ -0.0006900700000000, 0.0002311500000000, -0.0001298200000000 ] - [ 0.0000534500000000, -0.0005035600000000, -0.0000710300000000 ] - [ -0.0017459600000000, -0.0001867500000000, -0.0004471300000000 ] - [ 0.0000587200000000, -0.0001508900000000, 0.0005061200000000 ] - [ 0.0004619100000000, 0.0000019600000000, 0.0000279600000000 ] - [ 0.0003355300000000, -0.0003643100000000, 0.0036951400000000 ] - [ 0.0009232600000000, 0.0004160500000000, 0.0004649800000000 ] - [ -0.0023028900000000, -0.0014692700000000, -0.0012326000000000 ] - [ -0.0008945300000000, -0.0008242800000000, 0.0000705700000000 ] - [ -0.0004668400000000, 0.0007565300000000, 0.0001526800000000 ] - [ 0.0069055700000000, 0.0030090600000000, 0.0122349300000000 ] - [ -0.2910117900000000, -0.1960161400000000, -0.1735490200000000 ] - [ -0.0001292600000000, 0.0006659000000000, 0.0004030500000000 ] - [ 0.0005107500000000, 0.0011539400000000, -0.0008053400000000 ] - [ -0.0012705200000000, 0.0005807200000000, 0.0003437300000000 ] - [ 0.0010611300000000, 0.0005194400000000, 0.0002365900000000 ] - [ 0.0027414000000000, 0.0020057700000000, -0.0002097000000000 ] - [ -0.0008807900000000, -0.0004678000000000, -0.0000653400000000 ] - [ 0.0005531000000000, -0.0006559300000000, 0.0004602000000000 ] - [ 0.0015920100000000, 0.0027043500000000, -0.0179329900000000 ] - [ 0.0224329500000000, -0.0036315200000000, 0.0038286300000000 ] - [ -0.0067543400000000, 0.0056670400000000, -0.0005592800000000 ] - [ -0.0025063400000000, -0.0016756500000000, -0.0015109300000000 ] - [ -0.0016039700000000, 0.0023619700000000, -0.0007155400000000 ] - [ -0.0005974100000000, 0.0002806200000000, 0.0004391400000000 ] - [ -0.0000685500000000, -0.0000429500000000, -0.0003499000000000 ] - [ 0.0002646700000000, 0.0006008300000000, 0.0000852700000000 ] - [ -0.0007588800000000, -0.0028671400000000, 0.0025172800000000 ] - [ 0.0000464500000000, 0.0006648000000000, -0.0002813400000000 ] - [ -0.0002592800000000, 0.0000695000000000, -0.0000303200000000 ] - [ -0.0012625600000000, 0.0005683200000000, 0.0001482300000000 ] - [ 0.0000514100000000, 0.0000952000000000, -0.0004344700000000 ] - [ -0.0005199300000000, -0.0001623300000000, 0.0001381900000000 ] - [ 0.0002757300000000, 0.0000442800000000, 0.0001347200000000 ] - [ -0.0005548700000000, -0.0003022800000000, -0.0000417900000000 ] - [ -0.0124617700000000, -0.0002449200000000, 0.0088561100000000 ] - [ 0.0002991900000000, -0.0000035700000000, 0.0001384800000000 ] - [ 0.0016562600000000, -0.0012956000000000, 0.0011514700000000 ] - [ -0.0018491400000000, -0.0055104800000000, -0.0005057500000000 ] - [ -0.0005720700000000, -0.0002749800000000, 0.0001952300000000 ] - [ 0.0076498300000000, -0.0010540300000000, -0.0004881300000000 ] - [ 0.0012236200000000, -0.0012066600000000, -0.0003192800000000 ] - [ 0.0007451900000000, -0.0006584000000000, -0.0005405400000000 ] - [ -0.0002816600000000, -0.0003078800000000, 0.0007170600000000 ] - [ 0.0308997600000000, 0.0110661700000000, 0.0175033100000000 ] - [ 0.0003107800000000, 0.0001527000000000, 0.0000991500000000 ] - [ -0.0012836600000000, 0.0009168900000000, -0.0031517000000000 ] - [ -0.0005054400000000, 0.0003196700000000, 0.0001706700000000 ] - [ 0.0002389500000000, 0.0001218700000000, -0.0000786100000000 ] - [ 0.0001055400000000, 0.0000162100000000, 0.0010017100000000 ] - [ 0.0004499900000000, 0.0000213800000000, -0.0004476100000000 ] - [ 0.0008691700000000, 0.0005284500000000, 0.0000950900000000 ] - [ -0.0005700400000000, 0.0004743000000000, 0.0007239400000000 ] - [ -0.0045097900000000, 0.0118301100000000, 0.0024735900000000 ] - [ 0.0016242900000000, -0.0033134300000000, -0.0003097700000000 ] - [ 0.0003918500000000, 0.0005353700000000, 0.0001561500000000 ] - [ 0.0010389000000000, 0.0017099800000000, -0.0012002400000000 ] - [ -0.0007158600000000, -0.0010551100000000, 0.0003454200000000 ] - [ -0.0001628100000000, 0.0001111000000000, 0.0001927200000000 ] - [ 0.0001438100000000, 0.0001737200000000, 0.0002664700000000 ] - [ -0.0007268400000000, 0.0008612300000000, -0.0002802200000000 ] - [ 0.0017165100000000, -0.0011251500000000, 0.0001848600000000 ] - [ -0.0001650300000000, 0.0002085500000000, -0.0000578400000000 ] - [ 0.0021797800000000, -0.0004433500000000, -0.0000507800000000 ] - [ 0.0023422900000000, -0.0023789600000000, 0.0026798500000000 ] - [ 0.0003126800000000, -0.0003638400000000, -0.0002427200000000 ] - [ 0.0004782900000000, 0.0004284200000000, -0.0008351900000000 ] - [ 0.0007742500000000, 0.0005680400000000, -0.0001436100000000 ] - [ 0.0007127600000000, 0.0006092700000000, -0.0002225600000000 ] - [ 0.0004923900000000, -0.0001938900000000, 0.0001039000000000 ] - [ -0.0002100600000000, 0.0003013800000000, 0.0001192500000000 ] - [ 0.0015184600000000, -0.0015277400000000, -0.0033039800000000 ] - [ -0.0009437100000000, -0.0003965500000000, 0.0002222400000000 ] - [ 0.0009674800000000, -0.0003315500000000, 0.0001346100000000 ]- atom: 58 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001027900000000, 0.0009281500000000, 0.0004281900000000 ] - [ -0.0001058800000000, 0.0008278900000000, -0.0004369600000000 ] - [ 0.0007790800000000, 0.0000503800000000, -0.0004705800000000 ] - [ 0.0009577300000000, 0.0011326300000000, 0.0015617100000000 ] - [ -0.0005827500000000, -0.0003770800000000, 0.0013857700000000 ] - [ -0.0014850000000000, 0.0016006000000000, 0.0001465700000000 ] - [ -0.0002148600000000, 0.0005118900000000, 0.0001772700000000 ] - [ -0.0001236300000000, -0.0006013700000000, 0.0001011300000000 ] - [ -0.0297501300000000, -0.0198031300000000, 0.0054225500000000 ] - [ 0.0004265800000000, 0.0000506600000000, 0.0004806500000000 ] - [ 0.0002288500000000, -0.0001158000000000, 0.0001771300000000 ] - [ 0.0123363200000000, -0.0097532900000000, -0.0055579500000000 ] - [ 0.0002792600000000, 0.0000021900000000, 0.0006287900000000 ] - [ 0.0009546300000000, -0.0013199500000000, -0.0005799300000000 ] - [ 0.0017274200000000, 0.0013837500000000, -0.0002708300000000 ] - [ -0.0041712900000000, -0.0027270100000000, -0.0011122400000000 ] - [ -0.0005224400000000, 0.0009135700000000, 0.0002510200000000 ] - [ -0.0004142600000000, 0.0004413400000000, -0.0000028600000000 ] - [ 0.0015875200000000, -0.0060736600000000, 0.0073171800000000 ] - [ -0.0000162000000000, 0.0010562200000000, -0.0005221600000000 ] - [ -0.0008203700000000, -0.0000366700000000, -0.0002955200000000 ] - [ 0.0041184200000000, 0.0018565100000000, 0.0004802500000000 ] - [ 0.0007481500000000, -0.0000268400000000, 0.0008055700000000 ] - [ -0.0002977700000000, -0.0000377800000000, 0.0002151300000000 ] - [ -0.0099268500000000, -0.0021105400000000, -0.0021817000000000 ] - [ -0.0146638600000000, -0.0121784700000000, -0.0066209900000000 ] - [ 0.0000327100000000, 0.0011538700000000, -0.0000065400000000 ] - [ 0.0003103200000000, 0.0000110100000000, 0.0002169200000000 ] - [ 0.0017111800000000, -0.0017775000000000, 0.0030458100000000 ] - [ -0.0001940400000000, -0.0011535700000000, -0.0028225000000000 ] - [ -0.0002718400000000, 0.0002838300000000, -0.0005734700000000 ] - [ -0.2155492400000000, -0.1238238600000000, -0.1411648900000000 ] - [ 0.0007186300000000, -0.0002707300000000, -0.0000624800000000 ] - [ 0.0003201400000000, 0.0080614900000000, -0.0071403200000000 ] - [ -0.0006957100000000, 0.0002651600000000, 0.0008577100000000 ] - [ 0.0010990000000000, -0.0008829700000000, 0.0004904000000000 ] - [ 0.0018990900000000, -0.0026124200000000, -0.0019332800000000 ] - [ 0.0009607100000000, 0.0003365700000000, 0.0004579500000000 ] - [ 0.0119017800000000, -0.0084573000000000, 0.0067849800000000 ] - [ -0.0012212800000000, -0.0011783200000000, 0.0006475500000000 ] - [ -0.0002435700000000, -0.0001146600000000, -0.0002067700000000 ] - [ 0.0001731600000000, -0.0001390800000000, 0.0004321100000000 ] - [ -0.0006546300000000, 0.0003571700000000, -0.0011531900000000 ] - [ -0.0005311900000000, 0.0000235700000000, -0.0000670100000000 ] - [ 0.0003078500000000, 0.0006816900000000, 0.0000107600000000 ] - [ 0.0001631200000000, 0.0001316800000000, 0.0007522800000000 ] - [ -0.0002391300000000, -0.0009512300000000, 0.0000194300000000 ] - [ 0.0009079400000000, 0.0001675900000000, 0.0003671800000000 ] - [ 0.0017435000000000, 0.0000699800000000, 0.0005879400000000 ] - [ -0.0002924200000000, -0.0000505200000000, 0.0002215600000000 ] - [ 0.0004700000000000, -0.0007216900000000, 0.0000832300000000 ] - [ 0.0002098600000000, 0.0003988000000000, -0.0033098200000000 ] - [ -0.0009276500000000, -0.0005373800000000, -0.0006111000000000 ] - [ 0.0013715200000000, 0.0017971000000000, 0.0015316000000000 ] - [ 0.0009579200000000, 0.0006457900000000, -0.0004000500000000 ] - [ -0.0000589200000000, 0.0001060300000000, -0.0002689000000000 ] - [ -0.0064245600000000, -0.0039456800000000, -0.0124702700000000 ] - [ 0.2888545300000000, 0.1924895200000000, 0.1660691700000000 ] - [ -0.0002171600000000, 0.0004219500000000, 0.0003408500000000 ] - [ -0.0007462300000000, -0.0009643900000000, 0.0000821400000000 ] - [ 0.0014997500000000, -0.0003838900000000, 0.0003828300000000 ] - [ -0.0001271400000000, 0.0001996800000000, -0.0003493400000000 ] - [ -0.0030957100000000, -0.0031111500000000, -0.0005317500000000 ] - [ -0.0000719500000000, 0.0001299500000000, -0.0002296800000000 ] - [ -0.0006110500000000, 0.0004750700000000, -0.0001386200000000 ] - [ -0.0020800100000000, -0.0036260700000000, 0.0181570100000000 ] - [ -0.0238662500000000, 0.0038950700000000, -0.0039570600000000 ] - [ 0.0071201500000000, -0.0066844800000000, 0.0013145600000000 ] - [ 0.0019833300000000, 0.0017193200000000, 0.0010923700000000 ] - [ 0.0016782300000000, -0.0022036600000000, 0.0010501800000000 ] - [ 0.0000580400000000, -0.0003163600000000, -0.0000369400000000 ] - [ 0.0003024100000000, -0.0001583600000000, -0.0003787800000000 ] - [ 0.0002631300000000, 0.0002628600000000, 0.0000285000000000 ] - [ 0.0017375800000000, 0.0032246900000000, -0.0028268700000000 ] - [ 0.0003011200000000, 0.0004233200000000, -0.0004642400000000 ] - [ 0.0002616000000000, 0.0000470400000000, -0.0001135300000000 ] - [ 0.0003326100000000, 0.0001499300000000, -0.0000408000000000 ] - [ 0.0004941800000000, -0.0001292100000000, 0.0000319800000000 ] - [ -0.0005059500000000, -0.0000916700000000, -0.0000144700000000 ] - [ 0.0007523500000000, -0.0003004800000000, -0.0002619400000000 ] - [ 0.0005520000000000, 0.0004197200000000, 0.0001851600000000 ] - [ 0.0135441900000000, 0.0006871300000000, -0.0087152000000000 ] - [ 0.0008928300000000, -0.0004430300000000, -0.0004438500000000 ] - [ -0.0028374300000000, 0.0017440200000000, -0.0014764900000000 ] - [ 0.0017774900000000, 0.0056629900000000, 0.0001837300000000 ] - [ -0.0006171000000000, -0.0001684700000000, 0.0001062100000000 ] - [ -0.0086075100000000, 0.0003502100000000, 0.0003570000000000 ] - [ -0.0002662200000000, 0.0008656200000000, 0.0006101000000000 ] - [ -0.0007372400000000, 0.0005479600000000, 0.0006904400000000 ] - [ 0.0000462000000000, 0.0001078400000000, 0.0000064400000000 ] - [ -0.0291350600000000, -0.0114484500000000, -0.0169924700000000 ] - [ 0.0002306200000000, -0.0001187100000000, 0.0003078700000000 ] - [ 0.0012721100000000, -0.0010413600000000, 0.0030379100000000 ] - [ -0.0004528800000000, 0.0000164100000000, 0.0001222800000000 ] - [ -0.0001780300000000, -0.0003024400000000, -0.0002467100000000 ] - [ -0.0006370100000000, 0.0008490300000000, -0.0011066000000000 ] - [ 0.0000736400000000, -0.0008873600000000, 0.0003384100000000 ] - [ 0.0001570400000000, -0.0002746600000000, 0.0000302800000000 ] - [ 0.0002187800000000, 0.0006159900000000, 0.0000184500000000 ] - [ 0.0040735600000000, -0.0118795500000000, -0.0031945100000000 ] - [ -0.0013893100000000, 0.0035444800000000, 0.0010415600000000 ] - [ 0.0005339700000000, 0.0001821600000000, -0.0002678200000000 ] - [ -0.0014331800000000, -0.0028262400000000, 0.0004702400000000 ] - [ -0.0002491000000000, 0.0007101100000000, -0.0006354000000000 ] - [ 0.0001009500000000, -0.0002908500000000, 0.0001319500000000 ] - [ -0.0006739400000000, -0.0010379000000000, -0.0001556300000000 ] - [ -0.0003020000000000, -0.0006090300000000, 0.0001556700000000 ] - [ -0.0013774200000000, 0.0000467700000000, 0.0005610700000000 ] - [ -0.0003780200000000, -0.0001744600000000, -0.0003483000000000 ] - [ -0.0021184600000000, 0.0006106600000000, 0.0003748100000000 ] - [ -0.0028752300000000, 0.0023270000000000, -0.0022489700000000 ] - [ -0.0000781600000000, 0.0001658000000000, -0.0004853000000000 ] - [ 0.0000471100000000, 0.0004358600000000, 0.0009432200000000 ] - [ 0.0001797800000000, -0.0002355900000000, -0.0001494900000000 ] - [ -0.0003638300000000, 0.0004801600000000, -0.0005235500000000 ] - [ -0.0004862300000000, 0.0003101800000000, -0.0002470800000000 ] - [ -0.0007200800000000, 0.0004179300000000, -0.0000082800000000 ] - [ -0.0009804900000000, 0.0014858900000000, 0.0028831900000000 ] - [ -0.0000851700000000, 0.0001414800000000, -0.0000996200000000 ] - [ 0.0000611600000000, 0.0000753400000000, -0.0002602900000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001471000000000, -0.0010359500000000, -0.0009077300000000 ] - [ -0.0004148200000000, -0.0010121900000000, 0.0007930200000000 ] - [ -0.0005778800000000, 0.0003329900000000, 0.0005788500000000 ] - [ -0.0010955900000000, -0.0000741100000000, -0.0011412600000000 ] - [ 0.0001849200000000, 0.0003992800000000, -0.0004397200000000 ] - [ 0.0019745400000000, -0.0037304400000000, -0.0002947100000000 ] - [ 0.0001298000000000, -0.0008001300000000, -0.0001286500000000 ] - [ 0.0021292500000000, -0.0007582800000000, 0.0019196800000000 ] - [ 0.0176492600000000, 0.0301253700000000, -0.0057816500000000 ] - [ -0.0010278700000000, -0.0007520700000000, -0.0006529500000000 ] - [ -0.0001455600000000, -0.0012697800000000, -0.0000568700000000 ] - [ -0.0013358000000000, 0.0076686500000000, 0.0021817600000000 ] - [ -0.0001223500000000, 0.0011556700000000, -0.0004568700000000 ] - [ 0.0011954200000000, 0.0008586000000000, -0.0009497400000000 ] - [ -0.0024204200000000, -0.0041244000000000, 0.0001018500000000 ] - [ 0.0023161200000000, 0.0013266600000000, 0.0042950500000000 ] - [ 0.0010450300000000, -0.0013279600000000, -0.0015500400000000 ] - [ 0.0004155000000000, -0.0010287000000000, 0.0010755900000000 ] - [ -0.0010611200000000, 0.0088602800000000, -0.0051597300000000 ] - [ -0.0004751500000000, -0.0022825400000000, -0.0000875700000000 ] - [ 0.0007693300000000, 0.0000400100000000, -0.0010667700000000 ] - [ -0.0028139500000000, -0.0015102600000000, -0.0002991500000000 ] - [ -0.0009045300000000, 0.0000606700000000, 0.0003538000000000 ] - [ 0.0000940500000000, -0.0014329800000000, 0.0004022100000000 ] - [ 0.0143655700000000, -0.0068896200000000, 0.0041735800000000 ] - [ 0.0091754200000000, 0.0135803200000000, 0.0044926500000000 ] - [ 0.0002638200000000, -0.0060801600000000, 0.0001394500000000 ] - [ -0.0001089000000000, -0.0011281300000000, -0.0003443000000000 ] - [ 0.0001828000000000, 0.0024905800000000, -0.0008479600000000 ] - [ 0.0003467800000000, 0.0012838600000000, -0.0006513800000000 ] - [ 0.0000992100000000, -0.0025849700000000, 0.0001651800000000 ] - [ 0.1306721200000000, 0.1476239300000000, 0.1153211900000000 ] - [ 0.0004170600000000, 0.0001932700000000, 0.0000370300000000 ] - [ -0.0056307900000000, -0.0173231200000000, 0.0181748200000000 ] - [ -0.0005558200000000, -0.0001536500000000, -0.0008429000000000 ] - [ -0.0003743700000000, 0.0007346600000000, -0.0003180300000000 ] - [ 0.0001054800000000, 0.0014797700000000, 0.0004050200000000 ] - [ 0.0001812700000000, -0.0025073500000000, -0.0002181000000000 ] - [ -0.0018430500000000, 0.0040937100000000, -0.0001760600000000 ] - [ 0.0004360200000000, 0.0013333200000000, 0.0001682100000000 ] - [ 0.0001047600000000, 0.0004042100000000, 0.0004727800000000 ] - [ 0.0009544300000000, 0.0008871800000000, -0.0000901600000000 ] - [ 0.0010702900000000, -0.0005615200000000, 0.0000281500000000 ] - [ -0.0010730400000000, 0.0013455800000000, 0.0003595600000000 ] - [ -0.0007422800000000, 0.0002523700000000, -0.0001176900000000 ] - [ -0.0009352900000000, -0.0003610500000000, 0.0006203800000000 ] - [ 0.0001005200000000, 0.0020222600000000, -0.0002250400000000 ] - [ -0.0005428600000000, 0.0006269900000000, -0.0005639900000000 ] - [ -0.0022768600000000, 0.0018721500000000, -0.0030975300000000 ] - [ -0.0000643200000000, 0.0001300300000000, 0.0003020600000000 ] - [ 0.0002799000000000, 0.0005929000000000, 0.0001043000000000 ] - [ 0.0001942300000000, -0.0012518500000000, 0.0023896200000000 ] - [ 0.0006799200000000, 0.0006333300000000, 0.0005631300000000 ] - [ -0.0009562400000000, -0.0031829000000000, 0.0005091200000000 ] - [ -0.0006621300000000, -0.0011213700000000, -0.0002986100000000 ] - [ -0.0004973800000000, 0.0012687100000000, 0.0005240700000000 ] - [ 0.0077470300000000, -0.0008897500000000, 0.0106273100000000 ] - [ -0.1947067600000000, -0.2244897500000000, -0.1351569000000000 ] - [ -0.0003169200000000, 0.0009565700000000, 0.0004007400000000 ] - [ 0.0002264000000000, 0.0017465700000000, -0.0008296100000000 ] - [ -0.0019355700000000, 0.0048504700000000, 0.0019000400000000 ] - [ 0.0007341800000000, 0.0003232200000000, -0.0000516200000000 ] - [ 0.0029327200000000, 0.0009568100000000, -0.0001808500000000 ] - [ -0.0007763700000000, 0.0001866800000000, 0.0003276900000000 ] - [ 0.0003787600000000, -0.0008092600000000, 0.0004147400000000 ] - [ 0.0047206500000000, -0.0015348700000000, -0.0167584900000000 ] - [ 0.0032681700000000, -0.0040747700000000, 0.0006853200000000 ] - [ -0.0056707300000000, 0.0242576400000000, -0.0009896500000000 ] - [ -0.0018103800000000, -0.0017963800000000, -0.0015636800000000 ] - [ -0.0024868200000000, 0.0052045700000000, -0.0015893200000000 ] - [ -0.0006261000000000, 0.0009515900000000, 0.0007751600000000 ] - [ 0.0000590500000000, 0.0002525500000000, -0.0002066600000000 ] - [ 0.0002898500000000, 0.0011660500000000, -0.0002875600000000 ] - [ -0.0019140500000000, -0.0037528300000000, -0.0011178500000000 ] - [ 0.0003839500000000, 0.0010650800000000, -0.0003837600000000 ] - [ -0.0000898300000000, 0.0004826100000000, -0.0007991700000000 ] - [ -0.0006755700000000, 0.0002912700000000, 0.0002590800000000 ] - [ -0.0001171600000000, 0.0006927700000000, -0.0006071600000000 ] - [ -0.0005495500000000, -0.0000088300000000, 0.0000573500000000 ] - [ 0.0003420400000000, 0.0001822700000000, 0.0001950100000000 ] - [ -0.0000990800000000, -0.0005998100000000, -0.0011035600000000 ] - [ -0.0009272200000000, -0.0103807200000000, 0.0045076700000000 ] - [ 0.0004812600000000, 0.0001541400000000, 0.0005693800000000 ] - [ 0.0008648400000000, -0.0016233900000000, -0.0003281500000000 ] - [ -0.0048027500000000, -0.0006208300000000, -0.0009338800000000 ] - [ -0.0008266500000000, -0.0001372800000000, -0.0001072500000000 ] - [ 0.0014107900000000, -0.0011909200000000, -0.0003126500000000 ] - [ 0.0005341100000000, -0.0003058300000000, 0.0003349800000000 ] - [ 0.0000834800000000, -0.0004436200000000, 0.0001685900000000 ] - [ -0.0001278500000000, -0.0004122100000000, 0.0006424300000000 ] - [ 0.0108051800000000, -0.0093830700000000, 0.0051680900000000 ] - [ 0.0002596600000000, 0.0004745800000000, 0.0001147000000000 ] - [ 0.0003011600000000, 0.0019678300000000, -0.0057762800000000 ] - [ -0.0011865000000000, 0.0014593800000000, 0.0000307600000000 ] - [ 0.0002578800000000, 0.0003738100000000, -0.0000922700000000 ] - [ -0.0000009900000000, -0.0003364700000000, 0.0000497400000000 ] - [ 0.0004054200000000, 0.0008704300000000, -0.0010205300000000 ] - [ 0.0009159400000000, 0.0010225500000000, 0.0001981100000000 ] - [ 0.0000097800000000, -0.0000076600000000, 0.0004561800000000 ] - [ 0.0171249100000000, 0.0400955800000000, 0.0090712400000000 ] - [ 0.0000248700000000, -0.0020103900000000, -0.0000969600000000 ] - [ 0.0006741100000000, 0.0006420800000000, 0.0001853200000000 ] - [ 0.0057990600000000, 0.0049149000000000, -0.0022855000000000 ] - [ -0.0011774200000000, -0.0010561600000000, -0.0004828800000000 ] - [ -0.0003133200000000, 0.0005305700000000, 0.0000882000000000 ] - [ 0.0002315000000000, 0.0007612000000000, 0.0007813200000000 ] - [ -0.0012473000000000, 0.0025001900000000, -0.0005319200000000 ] - [ 0.0010593800000000, -0.0006223900000000, 0.0002889800000000 ] - [ -0.0002528100000000, 0.0004956300000000, -0.0001027900000000 ] - [ 0.0005338200000000, -0.0003103900000000, 0.0002722600000000 ] - [ 0.0005085700000000, -0.0016395000000000, 0.0009163600000000 ] - [ 0.0001302600000000, -0.0004085900000000, -0.0004318600000000 ] - [ 0.0001609600000000, -0.0001919700000000, 0.0004964600000000 ] - [ 0.0008270900000000, 0.0012811900000000, -0.0000976400000000 ] - [ 0.0002059900000000, 0.0001982700000000, -0.0002529600000000 ] - [ 0.0001230000000000, -0.0003201100000000, 0.0004117300000000 ] - [ -0.0004538800000000, 0.0004633700000000, -0.0000024700000000 ] - [ -0.0003867300000000, -0.0010171100000000, -0.0001330800000000 ] - [ -0.0007817200000000, -0.0004515000000000, 0.0003539600000000 ] - [ 0.0007168800000000, -0.0003378400000000, -0.0000209400000000 ]- atom: 58 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003036500000000, 0.0010363500000000, 0.0009139600000000 ] - [ 0.0002625300000000, 0.0010074200000000, -0.0007973000000000 ] - [ 0.0007304300000000, -0.0003284900000000, -0.0005790700000000 ] - [ 0.0009420600000000, 0.0000882000000000, 0.0011441100000000 ] - [ -0.0001898500000000, -0.0012377900000000, 0.0004600900000000 ] - [ -0.0019563200000000, 0.0045603200000000, 0.0002899800000000 ] - [ -0.0001292600000000, 0.0011895000000000, 0.0001298100000000 ] - [ -0.0009648700000000, 0.0007476000000000, -0.0019304100000000 ] - [ -0.0196451900000000, -0.0318919000000000, 0.0058971700000000 ] - [ -0.0001437900000000, 0.0007455200000000, 0.0006557000000000 ] - [ 0.0001445600000000, 0.0004318000000000, 0.0000590200000000 ] - [ 0.0013782000000000, -0.0069068700000000, -0.0022080000000000 ] - [ 0.0001229900000000, -0.0007644200000000, 0.0004646300000000 ] - [ -0.0000248900000000, -0.0008345800000000, 0.0009479900000000 ] - [ 0.0024030500000000, 0.0037283800000000, -0.0001036800000000 ] - [ -0.0034801600000000, -0.0013149000000000, -0.0042783800000000 ] - [ -0.0003624900000000, 0.0021847700000000, 0.0010486300000000 ] - [ -0.0010859000000000, 0.0018838400000000, -0.0005809200000000 ] - [ 0.0003989700000000, -0.0097304300000000, 0.0046838200000000 ] - [ -0.0002806400000000, 0.0021262200000000, -0.0003807500000000 ] - [ -0.0000107600000000, 0.0001046000000000, 0.0006075800000000 ] - [ 0.0028214400000000, 0.0020854900000000, 0.0004639700000000 ] - [ 0.0001446400000000, 0.0000834800000000, 0.0001172100000000 ] - [ -0.0000897600000000, 0.0008444800000000, -0.0002385500000000 ] - [ -0.0144682500000000, 0.0074553900000000, -0.0043763000000000 ] - [ -0.0086528100000000, -0.0144981700000000, -0.0039515200000000 ] - [ 0.0004900400000000, 0.0059382900000000, 0.0003327000000000 ] - [ 0.0001053500000000, 0.0005389400000000, 0.0001853400000000 ] - [ 0.0004952800000000, -0.0016554300000000, 0.0003774700000000 ] - [ -0.0010239400000000, -0.0004379300000000, 0.0011276900000000 ] - [ -0.0007820800000000, 0.0017267400000000, -0.0006449400000000 ] - [ -0.1275595000000000, -0.1469756800000000, -0.1120180700000000 ] - [ 0.0003424600000000, -0.0000347800000000, -0.0004984200000000 ] - [ 0.0055738300000000, 0.0178207100000000, -0.0178587500000000 ] - [ -0.0002048000000000, 0.0003176200000000, 0.0013025300000000 ] - [ 0.0003793100000000, -0.0013102200000000, 0.0004887200000000 ] - [ -0.0000930000000000, -0.0008784100000000, -0.0005724900000000 ] - [ 0.0004929000000000, 0.0016505400000000, 0.0007005700000000 ] - [ 0.0026152200000000, -0.0042253200000000, 0.0006190100000000 ] - [ -0.0004430700000000, -0.0019048100000000, -0.0003190800000000 ] - [ -0.0001086700000000, -0.0002870800000000, -0.0003325900000000 ] - [ 0.0002365400000000, -0.0004415200000000, 0.0003923400000000 ] - [ 0.0001175300000000, 0.0001212500000000, -0.0003349500000000 ] - [ -0.0001146800000000, -0.0009024300000000, -0.0006666800000000 ] - [ 0.0006722900000000, -0.0000791800000000, -0.0002055000000000 ] - [ -0.0002537200000000, -0.0000816100000000, -0.0003199200000000 ] - [ -0.0010297500000000, -0.0027421200000000, 0.0001120100000000 ] - [ 0.0014967000000000, -0.0009633500000000, 0.0008534800000000 ] - [ 0.0022975800000000, -0.0019908400000000, 0.0032649500000000 ] - [ -0.0001697200000000, -0.0003228800000000, 0.0004221800000000 ] - [ 0.0006451100000000, -0.0013094600000000, 0.0000083800000000 ] - [ 0.0003464200000000, 0.0012873500000000, -0.0019943800000000 ] - [ -0.0006862600000000, -0.0007473600000000, -0.0007055000000000 ] - [ 0.0000319300000000, 0.0035004100000000, -0.0002198200000000 ] - [ 0.0007221200000000, 0.0009374700000000, -0.0000314800000000 ] - [ -0.0000307000000000, -0.0004034300000000, -0.0006332300000000 ] - [ -0.0072763400000000, 0.0000126400000000, -0.0108160700000000 ] - [ 0.1937542200000000, 0.2253096000000000, 0.1310810200000000 ] - [ -0.0000329300000000, 0.0001343400000000, 0.0003433800000000 ] - [ -0.0004629500000000, -0.0015447600000000, 0.0001025200000000 ] - [ 0.0021924700000000, -0.0046635600000000, -0.0011821400000000 ] - [ 0.0001977900000000, 0.0003978000000000, -0.0000624200000000 ] - [ -0.0032956400000000, -0.0020484900000000, -0.0005607200000000 ] - [ -0.0001864500000000, -0.0005315800000000, -0.0006182200000000 ] - [ -0.0004368400000000, 0.0006257800000000, -0.0000934600000000 ] - [ -0.0052854200000000, 0.0007178200000000, 0.0169799000000000 ] - [ -0.0042579700000000, 0.0043373000000000, -0.0007912300000000 ] - [ 0.0060394400000000, -0.0258669000000000, 0.0017254400000000 ] - [ 0.0012901100000000, 0.0018432300000000, 0.0011399300000000 ] - [ 0.0025313800000000, -0.0049983800000000, 0.0018959200000000 ] - [ 0.0000803400000000, -0.0009842600000000, -0.0003622000000000 ] - [ 0.0001750500000000, -0.0004473300000000, -0.0005203700000000 ] - [ 0.0002364900000000, -0.0003012700000000, 0.0003975900000000 ] - [ 0.0028692600000000, 0.0040842700000000, 0.0008226600000000 ] - [ -0.0000346300000000, 0.0000252600000000, -0.0003619100000000 ] - [ 0.0000933600000000, -0.0003636000000000, 0.0006584500000000 ] - [ -0.0002554800000000, 0.0004293700000000, -0.0001518200000000 ] - [ 0.0006555700000000, -0.0007265800000000, 0.0001974200000000 ] - [ -0.0004788200000000, -0.0002479900000000, 0.0000668100000000 ] - [ 0.0006867000000000, -0.0004398600000000, -0.0003202700000000 ] - [ 0.0000972000000000, 0.0007099400000000, 0.0012360800000000 ] - [ 0.0021307700000000, 0.0107267500000000, -0.0043831200000000 ] - [ 0.0007119800000000, -0.0006011000000000, -0.0008638500000000 ] - [ -0.0020671600000000, 0.0020732100000000, 0.0000377200000000 ] - [ 0.0047854000000000, 0.0008146400000000, 0.0006178100000000 ] - [ -0.0003676300000000, -0.0003096700000000, 0.0004042700000000 ] - [ -0.0023571100000000, 0.0004683100000000, 0.0002121500000000 ] - [ 0.0004201600000000, -0.0000241100000000, -0.0000398500000000 ] - [ -0.0000812200000000, 0.0003189000000000, -0.0000213700000000 ] - [ -0.0001063400000000, 0.0002045900000000, 0.0000835700000000 ] - [ -0.0099765300000000, 0.0084621000000000, -0.0051040900000000 ] - [ 0.0002837800000000, -0.0004410000000000, 0.0002860700000000 ] - [ -0.0002936300000000, -0.0020716100000000, 0.0055934300000000 ] - [ 0.0002309300000000, -0.0011215900000000, 0.0002650000000000 ] - [ -0.0001950700000000, -0.0005514400000000, -0.0002336400000000 ] - [ -0.0005291900000000, 0.0012033500000000, -0.0001697200000000 ] - [ 0.0001248700000000, -0.0017328600000000, 0.0009028100000000 ] - [ 0.0001129500000000, -0.0007670100000000, -0.0000713800000000 ] - [ -0.0003553200000000, 0.0010927800000000, 0.0002833700000000 ] - [ -0.0170266200000000, -0.0389494200000000, -0.0093903800000000 ] - [ 0.0002059000000000, 0.0021986500000000, 0.0008239600000000 ] - [ 0.0002553000000000, 0.0000728900000000, -0.0002966300000000 ] - [ -0.0060879200000000, -0.0059755100000000, 0.0015254800000000 ] - [ 0.0002264300000000, 0.0007321900000000, 0.0001890800000000 ] - [ 0.0002514200000000, -0.0007085500000000, 0.0002366100000000 ] - [ -0.0007556200000000, -0.0016248500000000, -0.0006636500000000 ] - [ 0.0002230100000000, -0.0022457600000000, 0.0004073600000000 ] - [ -0.0007064800000000, -0.0004733500000000, 0.0004568300000000 ] - [ -0.0002894300000000, -0.0004628800000000, -0.0003001300000000 ] - [ -0.0004779100000000, 0.0004988800000000, 0.0000531700000000 ] - [ -0.0010574500000000, 0.0016204300000000, -0.0005217700000000 ] - [ 0.0001033700000000, 0.0002026700000000, -0.0002991000000000 ] - [ 0.0003658400000000, 0.0010559500000000, -0.0003817000000000 ] - [ 0.0001335100000000, -0.0009403400000000, -0.0001979100000000 ] - [ 0.0001410100000000, 0.0008879100000000, -0.0004940200000000 ] - [ -0.0001193100000000, 0.0004328300000000, -0.0005572100000000 ] - [ -0.0004757100000000, 0.0002528100000000, 0.0001128600000000 ] - [ 0.0009284500000000, 0.0009938200000000, -0.0002587600000000 ] - [ -0.0002438900000000, 0.0001992700000000, -0.0002328400000000 ] - [ 0.0003102600000000, 0.0000840900000000, -0.0001070500000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000650100000000, -0.0009161800000000, -0.0004364800000000 ] - [ -0.0000105300000000, 0.0007952200000000, 0.0000822200000000 ] - [ 0.0001459300000000, 0.0003294200000000, -0.0001380300000000 ] - [ -0.0009622300000000, -0.0007153000000000, -0.0002264500000000 ] - [ 0.0013623800000000, -0.0002850500000000, -0.0056486200000000 ] - [ 0.0003174900000000, -0.0000519000000000, 0.0005837500000000 ] - [ 0.0001772900000000, 0.0000225700000000, -0.0006759500000000 ] - [ 0.0007456100000000, 0.0006547700000000, 0.0004730900000000 ] - [ -0.0068658100000000, -0.0074828900000000, 0.0136322500000000 ] - [ -0.0005716200000000, -0.0007053200000000, -0.0003038600000000 ] - [ -0.0001563600000000, -0.0006254000000000, -0.0004220000000000 ] - [ -0.0008818800000000, 0.0023910300000000, 0.0033129600000000 ] - [ -0.0000551800000000, 0.0005056200000000, -0.0017090300000000 ] - [ 0.0028628100000000, -0.0027271000000000, -0.0000298400000000 ] - [ -0.0004571800000000, -0.0008702400000000, 0.0004156600000000 ] - [ 0.0010170900000000, 0.0043237700000000, -0.0024314000000000 ] - [ 0.0001445100000000, -0.0007007400000000, -0.0001120300000000 ] - [ -0.0009964300000000, 0.0011600700000000, 0.0002191400000000 ] - [ -0.0060690700000000, 0.0026445500000000, -0.0071964700000000 ] - [ -0.0003328000000000, -0.0005526500000000, 0.0002658100000000 ] - [ 0.0002751500000000, -0.0001219000000000, -0.0027168700000000 ] - [ -0.0005871700000000, -0.0005650000000000, 0.0009770900000000 ] - [ 0.0001493400000000, 0.0004866200000000, -0.0008468300000000 ] - [ -0.0000641000000000, -0.0004275700000000, -0.0007437600000000 ] - [ 0.0037045100000000, -0.0012155800000000, 0.0030922800000000 ] - [ 0.0185474800000000, 0.0033789200000000, -0.0085217900000000 ] - [ 0.0004757800000000, -0.0011981800000000, 0.0005371500000000 ] - [ -0.0000536300000000, -0.0002919000000000, -0.0010312700000000 ] - [ -0.0003481200000000, 0.0013852200000000, 0.0001573000000000 ] - [ 0.0006976500000000, -0.0004339400000000, -0.0023118000000000 ] - [ -0.0002860900000000, -0.0008052000000000, -0.0004018300000000 ] - [ 0.1532501300000000, 0.1182951500000000, 0.1954089000000000 ] - [ 0.0002963000000000, 0.0000131400000000, -0.0009626900000000 ] - [ -0.0006092200000000, -0.0016328300000000, 0.0102768900000000 ] - [ -0.0005166200000000, -0.0007111700000000, -0.0006498100000000 ] - [ 0.0002035400000000, -0.0004675100000000, -0.0016103100000000 ] - [ -0.0005894500000000, 0.0012900600000000, 0.0022104900000000 ] - [ 0.0001448200000000, -0.0007652500000000, 0.0002662300000000 ] - [ -0.0030440000000000, 0.0022757400000000, 0.0014461200000000 ] - [ 0.0002017900000000, -0.0005679500000000, -0.0031612100000000 ] - [ 0.0000028900000000, 0.0003151900000000, 0.0006790400000000 ] - [ 0.0007338800000000, 0.0003787200000000, -0.0001199400000000 ] - [ 0.0006233700000000, -0.0005135900000000, 0.0002773000000000 ] - [ -0.0006951300000000, 0.0004044200000000, -0.0001393100000000 ] - [ -0.0001072500000000, -0.0000299800000000, -0.0005824600000000 ] - [ -0.0006004900000000, 0.0001663800000000, 0.0015740700000000 ] - [ -0.0004009100000000, 0.0000795100000000, -0.0002362700000000 ] - [ 0.0008342800000000, -0.0013211800000000, 0.0003078600000000 ] - [ -0.0005544700000000, 0.0002699600000000, -0.0015058400000000 ] - [ -0.0001991000000000, -0.0005177900000000, 0.0007082000000000 ] - [ 0.0004059100000000, -0.0002396400000000, -0.0001413800000000 ] - [ 0.0006256500000000, 0.0001835400000000, 0.0041800000000000 ] - [ 0.0001653000000000, 0.0001668300000000, -0.0003416100000000 ] - [ -0.0052815100000000, 0.0033880800000000, 0.0010197400000000 ] - [ -0.0001201300000000, 0.0000499700000000, 0.0013342500000000 ] - [ -0.0002854700000000, 0.0006663200000000, 0.0001981900000000 ] - [ 0.0105301400000000, 0.0043803400000000, 0.0109079500000000 ] - [ -0.1728651500000000, -0.1358469300000000, -0.2345417100000000 ] - [ -0.0002289000000000, 0.0005478900000000, 0.0006532900000000 ] - [ -0.0000170800000000, 0.0006790400000000, -0.0007907900000000 ] - [ -0.0003336300000000, 0.0008515300000000, 0.0003346400000000 ] - [ -0.0000920700000000, 0.0000867000000000, 0.0007722900000000 ] - [ 0.0002496900000000, -0.0000425300000000, -0.0016268200000000 ] - [ -0.0003962000000000, 0.0008947800000000, -0.0001137500000000 ] - [ -0.0003761100000000, -0.0000276000000000, 0.0012884100000000 ] - [ -0.0087141300000000, -0.0078350000000000, 0.0063968100000000 ] - [ 0.0034054800000000, -0.0006142800000000, -0.0023306600000000 ] - [ -0.0015504800000000, 0.0047230000000000, -0.0033069100000000 ] - [ -0.0024521500000000, -0.0014767900000000, 0.0048593100000000 ] - [ -0.0002170500000000, 0.0007150500000000, -0.0011580700000000 ] - [ -0.0003054500000000, 0.0002764900000000, -0.0001890400000000 ] - [ 0.0001360400000000, 0.0002619900000000, 0.0001370800000000 ] - [ 0.0003295800000000, 0.0003606200000000, 0.0003574400000000 ] - [ 0.0024142100000000, -0.0018508200000000, 0.0044315500000000 ] - [ 0.0001649900000000, 0.0006400000000000, -0.0001004900000000 ] - [ 0.0000584000000000, -0.0001810800000000, 0.0002630300000000 ] - [ -0.0003532800000000, 0.0001972500000000, 0.0011667300000000 ] - [ 0.0002983400000000, -0.0000735700000000, -0.0004386600000000 ] - [ -0.0005901400000000, -0.0001219500000000, 0.0003310200000000 ] - [ 0.0003143800000000, 0.0001323900000000, 0.0002987500000000 ] - [ -0.0004678800000000, 0.0001060400000000, 0.0017270100000000 ] - [ 0.0076514200000000, 0.0075125700000000, 0.0304458800000000 ] - [ 0.0006140800000000, 0.0000467700000000, 0.0001427600000000 ] - [ 0.0017465300000000, -0.0010535800000000, -0.0012616800000000 ] - [ -0.0009727000000000, -0.0004795900000000, -0.0015283200000000 ] - [ -0.0003387200000000, -0.0002234400000000, 0.0005174200000000 ] - [ 0.0013456600000000, -0.0005928600000000, -0.0007329200000000 ] - [ 0.0001407900000000, 0.0004993900000000, 0.0005329700000000 ] - [ -0.0003173200000000, 0.0003224200000000, -0.0012377000000000 ] - [ 0.0000339100000000, 0.0000736000000000, 0.0013102800000000 ] - [ 0.0016489300000000, 0.0004825600000000, -0.0069447400000000 ] - [ 0.0002525700000000, 0.0000999400000000, 0.0004334400000000 ] - [ -0.0011091400000000, -0.0034389800000000, -0.0027515300000000 ] - [ -0.0005170900000000, 0.0002171700000000, 0.0000730200000000 ] - [ 0.0000778300000000, -0.0000187000000000, 0.0000400300000000 ] - [ 0.0002502400000000, 0.0000397000000000, 0.0002750500000000 ] - [ 0.0002717000000000, -0.0002907800000000, -0.0002895900000000 ] - [ 0.0005461400000000, 0.0002631200000000, -0.0000726100000000 ] - [ -0.0002500000000000, 0.0005486400000000, 0.0013160200000000 ] - [ 0.0037451500000000, 0.0098513700000000, -0.0088550800000000 ] - [ 0.0006388700000000, -0.0014649400000000, -0.0006902300000000 ] - [ 0.0006669900000000, 0.0006165600000000, 0.0002154800000000 ] - [ 0.0009907600000000, 0.0008628500000000, -0.0018536800000000 ] - [ -0.0004992100000000, -0.0007532600000000, -0.0003089200000000 ] - [ -0.0000117500000000, -0.0000269800000000, 0.0003435400000000 ] - [ -0.0001470500000000, -0.0001692600000000, -0.0000290800000000 ] - [ -0.0007324800000000, 0.0005992400000000, -0.0003036800000000 ] - [ 0.0005817600000000, -0.0007846400000000, -0.0000396400000000 ] - [ -0.0002393600000000, 0.0001416100000000, -0.0001564600000000 ] - [ 0.0001265100000000, 0.0002759700000000, -0.0002595400000000 ] - [ 0.0000124700000000, -0.0003178200000000, -0.0003244100000000 ] - [ 0.0002114200000000, 0.0001924600000000, 0.0002238500000000 ] - [ 0.0000957200000000, 0.0001669500000000, 0.0011998500000000 ] - [ 0.0005787900000000, 0.0005078200000000, -0.0000855300000000 ] - [ 0.0000075900000000, 0.0005090100000000, 0.0001499300000000 ] - [ -0.0003729600000000, 0.0001527700000000, 0.0008441300000000 ] - [ -0.0003939100000000, 0.0003640900000000, 0.0002595100000000 ] - [ -0.0013914700000000, 0.0004323700000000, 0.0002973400000000 ] - [ -0.0006744200000000, -0.0004229600000000, 0.0010055000000000 ] - [ 0.0003163000000000, -0.0000856300000000, 0.0004900900000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000889600000000, 0.0009132500000000, 0.0004310200000000 ] - [ -0.0001441500000000, -0.0007931600000000, -0.0000781500000000 ] - [ 0.0000065600000000, -0.0003296300000000, 0.0001346500000000 ] - [ 0.0008015200000000, 0.0007108100000000, 0.0002326900000000 ] - [ -0.0013508700000000, -0.0005473600000000, 0.0056226700000000 ] - [ -0.0003183200000000, 0.0008857000000000, -0.0005821700000000 ] - [ -0.0001758800000000, 0.0003650900000000, 0.0006742400000000 ] - [ 0.0004300200000000, -0.0006518400000000, -0.0004618800000000 ] - [ 0.0070030900000000, 0.0072577300000000, -0.0137184400000000 ] - [ -0.0006024500000000, 0.0007057700000000, 0.0002973300000000 ] - [ 0.0001546400000000, -0.0002161600000000, 0.0004204900000000 ] - [ 0.0008974900000000, -0.0015634000000000, -0.0033246200000000 ] - [ 0.0000494900000000, -0.0001098800000000, 0.0017039500000000 ] - [ -0.0016784800000000, 0.0027110600000000, 0.0000362700000000 ] - [ 0.0004596500000000, 0.0004785900000000, -0.0004145600000000 ] - [ -0.0021870800000000, -0.0043332900000000, 0.0024284100000000 ] - [ 0.0005314100000000, 0.0015482500000000, -0.0003682800000000 ] - [ 0.0003210700000000, -0.0003089500000000, 0.0002628900000000 ] - [ 0.0053849300000000, -0.0034437800000000, 0.0066520600000000 ] - [ -0.0004255300000000, 0.0003945600000000, -0.0007275900000000 ] - [ 0.0004824600000000, 0.0002816200000000, 0.0022435900000000 ] - [ 0.0005743500000000, 0.0011390000000000, -0.0008154500000000 ] - [ -0.0009032000000000, -0.0003298400000000, 0.0013138500000000 ] - [ 0.0000696700000000, -0.0001547700000000, 0.0009082100000000 ] - [ -0.0036499500000000, 0.0017658200000000, -0.0032355200000000 ] - [ -0.0176298900000000, -0.0041163700000000, 0.0090474600000000 ] - [ 0.0002824900000000, 0.0010309500000000, -0.0000754300000000 ] - [ 0.0000485700000000, -0.0002909700000000, 0.0008635000000000 ] - [ 0.0010152200000000, -0.0005228400000000, -0.0006224500000000 ] - [ -0.0013789500000000, 0.0012959600000000, 0.0027928200000000 ] - [ -0.0003876200000000, -0.0000543000000000, -0.0000920200000000 ] - [ -0.1472611100000000, -0.1131849500000000, -0.1922839600000000 ] - [ 0.0004630900000000, 0.0001344300000000, 0.0004936200000000 ] - [ 0.0006019800000000, 0.0022316600000000, -0.0101392100000000 ] - [ -0.0002440100000000, 0.0008490700000000, 0.0011151900000000 ] - [ -0.0001951900000000, -0.0001192200000000, 0.0017693100000000 ] - [ 0.0005938700000000, -0.0007023500000000, -0.0023631400000000 ] - [ 0.0005298500000000, -0.0000939200000000, 0.0002255100000000 ] - [ 0.0037891800000000, -0.0023994400000000, -0.0010048700000000 ] - [ -0.0002087600000000, -0.0000211000000000, 0.0029843400000000 ] - [ -0.0000060100000000, -0.0001988900000000, -0.0005330900000000 ] - [ 0.0004586600000000, 0.0000678600000000, 0.0004175800000000 ] - [ 0.0005669100000000, 0.0000674400000000, -0.0005821400000000 ] - [ -0.0004994000000000, 0.0000439800000000, -0.0001579300000000 ] - [ 0.0000450400000000, 0.0002089300000000, 0.0002557700000000 ] - [ -0.0005897400000000, -0.0006125100000000, -0.0012687300000000 ] - [ -0.0005258800000000, -0.0007918600000000, 0.0001243800000000 ] - [ 0.0001212800000000, 0.0009876200000000, -0.0000125800000000 ] - [ 0.0005523400000000, -0.0003794600000000, 0.0016327500000000 ] - [ -0.0000361000000000, 0.0003153700000000, 0.0000194100000000 ] - [ 0.0005219800000000, -0.0004761600000000, 0.0002516900000000 ] - [ -0.0000860200000000, -0.0001573600000000, -0.0037635500000000 ] - [ -0.0001667500000000, -0.0002803100000000, 0.0002026500000000 ] - [ 0.0042772900000000, -0.0030361800000000, -0.0007322200000000 ] - [ 0.0001815500000000, -0.0002292500000000, -0.0016540300000000 ] - [ -0.0002419600000000, 0.0002000600000000, -0.0003122400000000 ] - [ -0.0100792400000000, -0.0053354900000000, -0.0110846300000000 ] - [ 0.1667454600000000, 0.1304218800000000, 0.2304445600000000 ] - [ -0.0001197100000000, 0.0005414600000000, 0.0000921900000000 ] - [ -0.0002163100000000, -0.0004742200000000, 0.0000611400000000 ] - [ 0.0005612200000000, -0.0006374800000000, 0.0003969500000000 ] - [ 0.0010145500000000, 0.0006270600000000, -0.0008816300000000 ] - [ -0.0005890300000000, -0.0010404800000000, 0.0008791400000000 ] - [ -0.0005604200000000, -0.0012251600000000, -0.0001822300000000 ] - [ 0.0003105400000000, -0.0001505800000000, -0.0009595900000000 ] - [ 0.0080634100000000, 0.0068407300000000, -0.0062341800000000 ] - [ -0.0043797200000000, 0.0008624400000000, 0.0022297900000000 ] - [ 0.0018829100000000, -0.0057298100000000, 0.0040614300000000 ] - [ 0.0018791200000000, 0.0014844700000000, -0.0052338100000000 ] - [ 0.0002769700000000, -0.0005311600000000, 0.0014825800000000 ] - [ -0.0002368600000000, -0.0003076100000000, 0.0005890000000000 ] - [ 0.0000981700000000, -0.0004647600000000, -0.0008645000000000 ] - [ 0.0001973900000000, 0.0005052800000000, -0.0002422700000000 ] - [ -0.0014991400000000, 0.0021902100000000, -0.0047824100000000 ] - [ 0.0001827700000000, 0.0004493300000000, -0.0006440600000000 ] - [ -0.0000545500000000, 0.0002964400000000, -0.0004083600000000 ] - [ -0.0005751900000000, 0.0005168400000000, -0.0010506600000000 ] - [ 0.0002440000000000, 0.0000418200000000, 0.0000368300000000 ] - [ -0.0004374200000000, -0.0001317900000000, -0.0002056700000000 ] - [ 0.0007114300000000, -0.0003834000000000, -0.0004233900000000 ] - [ 0.0004645600000000, 0.0000128400000000, -0.0015793800000000 ] - [ -0.0061917800000000, -0.0068736500000000, -0.0291628600000000 ] - [ 0.0005763600000000, -0.0004882900000000, -0.0004466500000000 ] - [ -0.0029383300000000, 0.0014922900000000, 0.0009732500000000 ] - [ 0.0008972000000000, 0.0006646600000000, 0.0011989600000000 ] - [ -0.0008519100000000, -0.0002199900000000, -0.0002138800000000 ] - [ -0.0022685400000000, -0.0001291800000000, 0.0006257700000000 ] - [ 0.0008192100000000, -0.0008408100000000, -0.0002373000000000 ] - [ 0.0003179100000000, -0.0004370400000000, 0.0013709300000000 ] - [ -0.0002666400000000, -0.0002646600000000, -0.0005797600000000 ] - [ -0.0007083500000000, -0.0012273200000000, 0.0069457800000000 ] - [ 0.0002895300000000, -0.0000641000000000, -0.0000240300000000 ] - [ 0.0011133700000000, 0.0033374500000000, 0.0026130200000000 ] - [ -0.0004410900000000, 0.0001210700000000, 0.0002181700000000 ] - [ -0.0000159700000000, -0.0001601500000000, -0.0003643000000000 ] - [ -0.0007703500000000, 0.0008187000000000, -0.0003933000000000 ] - [ 0.0002546800000000, -0.0005724900000000, 0.0001788400000000 ] - [ 0.0004819200000000, -0.0000065100000000, 0.0001978600000000 ] - [ -0.0000949800000000, 0.0005397000000000, -0.0005664900000000 ] - [ -0.0039928100000000, -0.0095844100000000, 0.0080461100000000 ] - [ -0.0004039600000000, 0.0016536600000000, 0.0014163400000000 ] - [ 0.0002647700000000, 0.0001054100000000, -0.0003259900000000 ] - [ -0.0013377300000000, -0.0019545900000000, 0.0011133600000000 ] - [ -0.0004575800000000, 0.0004121700000000, 0.0000097200000000 ] - [ -0.0000492300000000, -0.0001521100000000, -0.0000185300000000 ] - [ -0.0003799500000000, -0.0006933500000000, 0.0001394400000000 ] - [ -0.0002971400000000, -0.0003402700000000, 0.0001776000000000 ] - [ -0.0002339800000000, -0.0003052400000000, 0.0007826700000000 ] - [ -0.0003027500000000, -0.0001059800000000, -0.0002522300000000 ] - [ -0.0000633800000000, -0.0000953700000000, 0.0005854100000000 ] - [ -0.0005584800000000, 0.0002883900000000, 0.0007140000000000 ] - [ 0.0000220200000000, -0.0003879700000000, -0.0009490200000000 ] - [ 0.0004322400000000, 0.0006947000000000, -0.0010824700000000 ] - [ 0.0003783800000000, -0.0001699100000000, -0.0002060500000000 ] - [ 0.0003398900000000, 0.0005797700000000, -0.0008934400000000 ] - [ 0.0003736700000000, -0.0000342600000000, -0.0009850700000000 ] - [ -0.0005363400000000, 0.0003556400000000, -0.0001476800000000 ] - [ 0.0019452500000000, -0.0004691700000000, -0.0006962300000000 ] - [ -0.0003527700000000, 0.0001643300000000, -0.0008773900000000 ] - [ 0.0007114100000000, -0.0001710600000000, -0.0006154800000000 ]- atom: 59 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009785600000000, -0.0016425100000000, -0.0019700600000000 ] - [ 0.0008641400000000, -0.0020515300000000, 0.0019638500000000 ] - [ 0.0000640200000000, 0.0000425700000000, 0.0000693500000000 ] - [ -0.0003066300000000, 0.0002466100000000, -0.0000089200000000 ] - [ 0.0022813600000000, 0.0005066800000000, 0.0005169700000000 ] - [ 0.0003203700000000, -0.0000071100000000, 0.0004361200000000 ] - [ 0.0306908400000000, -0.0256180500000000, 0.0046675500000000 ] - [ -0.0027455000000000, -0.0008770700000000, 0.0007202300000000 ] - [ 0.0004605200000000, -0.0000627800000000, 0.0001656300000000 ] - [ -0.0052265700000000, 0.0012486800000000, 0.0086255900000000 ] - [ -0.0114629500000000, -0.0121234500000000, -0.0050921200000000 ] - [ -0.0005174800000000, 0.0009064300000000, -0.0001634600000000 ] - [ -0.0028993100000000, 0.0027338800000000, 0.0001418400000000 ] - [ 0.0018996400000000, 0.0019335000000000, 0.0001200900000000 ] - [ -0.0002347000000000, -0.0006981300000000, 0.0004081700000000 ] - [ -0.0014487300000000, 0.0016602500000000, -0.0003434500000000 ] - [ -0.0013045200000000, 0.0070635300000000, 0.0048270000000000 ] - [ 0.0044331600000000, 0.0066443500000000, -0.0045463900000000 ] - [ 0.0004911900000000, 0.0004997500000000, 0.0003231500000000 ] - [ 0.0015978800000000, -0.0010357100000000, -0.0005075400000000 ] - [ -0.0015913700000000, -0.0031932400000000, -0.0009232600000000 ] - [ 0.0007393200000000, 0.0010289900000000, 0.0021009500000000 ] - [ 0.0110587200000000, 0.0222435100000000, -0.0017897600000000 ] - [ -0.0161050000000000, -0.0049899100000000, 0.0045441900000000 ] - [ -0.0008624900000000, -0.0003626100000000, 0.0003978900000000 ] - [ 0.0001761200000000, 0.0000206800000000, -0.0000750200000000 ] - [ -0.0013294400000000, -0.0003393700000000, 0.0010742400000000 ] - [ 0.3443082100000000, -0.1020442600000000, -0.1010278400000000 ] - [ -0.0032222700000000, 0.0021501900000000, -0.0024244600000000 ] - [ -0.0032868100000000, 0.0023988200000000, 0.0004025000000000 ] - [ -0.0040594200000000, -0.0027338000000000, 0.0030773600000000 ] - [ -0.0009612000000000, 0.0006375600000000, -0.0001266800000000 ] - [ 0.0081038500000000, 0.0010652900000000, -0.0016406700000000 ] - [ -0.0011035500000000, 0.0009570000000000, -0.0000778400000000 ] - [ -0.0045595800000000, 0.0032810700000000, 0.0000280700000000 ] - [ 0.0011913400000000, 0.0020335100000000, 0.0002377900000000 ] - [ 0.0010925700000000, 0.0009973800000000, 0.0003088900000000 ] - [ -0.0001120500000000, -0.0005261000000000, -0.0028910500000000 ] - [ 0.0008762900000000, 0.0008121800000000, 0.0003363900000000 ] - [ -0.0009942000000000, 0.0014527500000000, -0.0006536300000000 ] - [ 0.0065036600000000, -0.0078928400000000, -0.0162321400000000 ] - [ -0.0001231100000000, 0.0003048000000000, 0.0008773300000000 ] - [ 0.0017465800000000, -0.0036189400000000, 0.0031358500000000 ] - [ 0.0011516300000000, 0.0000471900000000, -0.0010791500000000 ] - [ -0.0008349600000000, -0.0005053600000000, -0.0001698200000000 ] - [ 0.0007244300000000, 0.0002993200000000, 0.0010752700000000 ] - [ 0.0005289500000000, 0.0000449600000000, -0.0003288600000000 ] - [ 0.0011271900000000, -0.0034103700000000, 0.0011118700000000 ] - [ 0.0005918000000000, 0.0003171000000000, -0.0004793300000000 ] - [ 0.0166798600000000, -0.0351185900000000, 0.0082622900000000 ] - [ -0.0008475600000000, 0.0002021400000000, 0.0000593600000000 ] - [ -0.0002780500000000, -0.0004168700000000, -0.0002208900000000 ] - [ -0.0007192100000000, -0.0006794200000000, -0.0030004500000000 ] - [ -0.0004070100000000, -0.0005446000000000, 0.0001630400000000 ] - [ -0.0001447400000000, -0.0005164500000000, -0.0001170600000000 ] - [ 0.0060902900000000, -0.0100237900000000, -0.0125832100000000 ] - [ 0.0000208100000000, -0.0004640200000000, -0.0001471200000000 ] - [ 0.0005571100000000, -0.0000149800000000, 0.0000084400000000 ] - [ -0.4669010400000000, 0.1834571400000000, 0.1110417100000000 ] - [ -0.0004300300000000, 0.0007485500000000, -0.0008259900000000 ] - [ 0.0005048200000000, 0.0002835100000000, 0.0001349500000000 ] - [ -0.0054834700000000, -0.0020516800000000, -0.0006352800000000 ] - [ -0.0009846500000000, -0.0008169200000000, -0.0008847100000000 ] - [ -0.0017743900000000, -0.0034462800000000, -0.0011181700000000 ] - [ -0.0001359100000000, -0.0010809800000000, 0.0001407400000000 ] - [ -0.0003588300000000, -0.0002849900000000, -0.0000434000000000 ] - [ -0.0006412100000000, -0.0000821000000000, -0.0000721600000000 ] - [ 0.0003433500000000, -0.0003998500000000, 0.0003312900000000 ] - [ -0.0006211300000000, -0.0001805400000000, 0.0001542400000000 ] - [ 0.0007414100000000, -0.0005003900000000, 0.0000133100000000 ] - [ -0.0000931900000000, -0.0005639600000000, -0.0033730700000000 ] - [ 0.0029367700000000, 0.0039912300000000, 0.0010374100000000 ] - [ 0.0010501900000000, -0.0089334900000000, 0.0128039700000000 ] - [ 0.0000449600000000, -0.0008266600000000, -0.0001849100000000 ] - [ 0.0342162900000000, 0.0039238800000000, -0.0004847400000000 ] - [ 0.0033353000000000, 0.0016425800000000, -0.0025941700000000 ] - [ -0.0001209000000000, 0.0015500500000000, 0.0001406000000000 ] - [ -0.0006194600000000, -0.0003406100000000, 0.0026686200000000 ] - [ -0.0074365500000000, -0.0058940200000000, 0.0017631000000000 ] - [ 0.0034292000000000, -0.0032450100000000, -0.0004807200000000 ] - [ 0.0004108500000000, -0.0004638700000000, 0.0001266500000000 ] - [ 0.0007272700000000, 0.0000630400000000, 0.0001664900000000 ] - [ 0.0032599100000000, -0.0024094400000000, 0.0001288600000000 ] - [ -0.0007996400000000, -0.0000070900000000, -0.0002869100000000 ] - [ 0.0005743200000000, 0.0004906500000000, -0.0002209800000000 ] - [ -0.0034361500000000, -0.0015645100000000, 0.0001208600000000 ] - [ -0.0008029200000000, -0.0007402100000000, 0.0000095400000000 ] - [ 0.0030523200000000, -0.0028022900000000, -0.0007330500000000 ] - [ -0.0004401200000000, -0.0003680500000000, -0.0001227200000000 ] - [ 0.0004713200000000, -0.0019966700000000, 0.0008710100000000 ] - [ 0.0009489100000000, -0.0007077000000000, 0.0000039400000000 ] - [ 0.0029749000000000, 0.0016096300000000, -0.0016848400000000 ] - [ 0.0004118400000000, -0.0003375700000000, 0.0000562200000000 ] - [ 0.0004549200000000, 0.0000751200000000, 0.0005844000000000 ] - [ 0.0323774800000000, 0.0073636100000000, -0.0092453600000000 ] - [ 0.0006792700000000, -0.0005138100000000, 0.0000613600000000 ] - [ 0.0004624600000000, 0.0004168700000000, -0.0011818300000000 ] - [ 0.0001209400000000, 0.0003111600000000, -0.0000133400000000 ] - [ 0.0007208800000000, -0.0001709300000000, 0.0003400400000000 ] - [ 0.0001080600000000, -0.0004451700000000, -0.0003036100000000 ] - [ -0.0000946500000000, -0.0005262100000000, 0.0002024000000000 ] - [ 0.0027675800000000, 0.0005793200000000, 0.0003189800000000 ] - [ 0.0003686600000000, -0.0003930000000000, -0.0004038100000000 ] - [ 0.0011960300000000, 0.0002810500000000, 0.0004513400000000 ] - [ 0.0100532000000000, -0.0026444000000000, 0.0000839600000000 ] - [ -0.0000021900000000, -0.0000186600000000, 0.0011575400000000 ] - [ 0.0000235900000000, 0.0000956300000000, -0.0002289100000000 ] - [ -0.0003186700000000, -0.0003882700000000, 0.0002535500000000 ] - [ 0.0006484800000000, 0.0010833600000000, 0.0026761100000000 ] - [ 0.0000622100000000, -0.0002205800000000, -0.0001627100000000 ] - [ 0.0002333200000000, -0.0004731500000000, 0.0013118300000000 ] - [ -0.0009941600000000, -0.0021845600000000, -0.0005252700000000 ] - [ 0.0010206300000000, -0.0001748100000000, -0.0001076200000000 ] - [ 0.0030527400000000, 0.0022462300000000, -0.0023106300000000 ] - [ -0.0005873800000000, -0.0008347100000000, -0.0002941900000000 ] - [ -0.0005082800000000, -0.0006745300000000, 0.0003105100000000 ] - [ -0.0033589100000000, 0.0030977100000000, -0.0001867700000000 ] - [ 0.0007153600000000, -0.0005739600000000, -0.0007596400000000 ] - [ 0.0010327400000000, 0.0007576900000000, -0.0003453000000000 ] - [ 0.0017492700000000, -0.0060551700000000, -0.0012177700000000 ]- atom: 59 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008128400000000, 0.0016462300000000, 0.0019766600000000 ] - [ -0.0010036000000000, 0.0020566800000000, -0.0019795900000000 ] - [ 0.0000873000000000, -0.0000416100000000, -0.0000693800000000 ] - [ 0.0001502900000000, -0.0002462000000000, 0.0000092800000000 ] - [ -0.0022722700000000, -0.0013420900000000, -0.0005156600000000 ] - [ -0.0003152600000000, 0.0008440000000000, -0.0004263600000000 ] - [ -0.0290293800000000, 0.0236174300000000, -0.0044993400000000 ] - [ 0.0039177200000000, 0.0008743800000000, -0.0007062600000000 ] - [ -0.0004595700000000, -0.0003271400000000, -0.0001646200000000 ] - [ 0.0040265500000000, -0.0012640200000000, -0.0086053200000000 ] - [ 0.0115072600000000, 0.0113887100000000, 0.0051299300000000 ] - [ 0.0005155600000000, -0.0000678300000000, 0.0001670800000000 ] - [ 0.0028977900000000, -0.0023516800000000, -0.0001444200000000 ] - [ -0.0007253500000000, -0.0019341900000000, -0.0001248500000000 ] - [ 0.0002306500000000, 0.0003070600000000, -0.0004095900000000 ] - [ 0.0002844400000000, -0.0016663100000000, 0.0003434400000000 ] - [ 0.0019961600000000, -0.0062191900000000, -0.0053306000000000 ] - [ -0.0051187500000000, -0.0058302500000000, 0.0050805000000000 ] - [ -0.0011678500000000, -0.0013552100000000, -0.0008089700000000 ] - [ -0.0023602400000000, 0.0008825400000000, 0.0000373300000000 ] - [ 0.0023612800000000, 0.0033242700000000, 0.0004515000000000 ] - [ -0.0007480500000000, -0.0004419300000000, -0.0019321400000000 ] - [ -0.0119228200000000, -0.0221709200000000, 0.0022302100000000 ] - [ 0.0161531300000000, 0.0043811300000000, -0.0043814700000000 ] - [ 0.0008697900000000, 0.0009428600000000, -0.0005586500000000 ] - [ 0.0005006300000000, -0.0008753700000000, 0.0005622900000000 ] - [ 0.0020935500000000, 0.0001845900000000, -0.0006137100000000 ] - [ -0.3640071500000000, 0.1092868700000000, 0.1089092700000000 ] - [ 0.0039044400000000, -0.0013042000000000, 0.0019460800000000 ] - [ 0.0026017900000000, -0.0015376800000000, 0.0000781200000000 ] - [ 0.0033860500000000, 0.0018724300000000, -0.0036032100000000 ] - [ 0.0002032300000000, -0.0007892300000000, -0.0003376500000000 ] - [ -0.0074522300000000, -0.0009571400000000, 0.0012333800000000 ] - [ 0.0011008000000000, -0.0003740100000000, 0.0002430200000000 ] - [ 0.0038098500000000, -0.0031204500000000, 0.0004352600000000 ] - [ -0.0011979300000000, -0.0026330000000000, -0.0000868900000000 ] - [ -0.0010913800000000, -0.0004150900000000, -0.0004709700000000 ] - [ 0.0007672900000000, -0.0003323500000000, 0.0033955700000000 ] - [ -0.0001204900000000, -0.0009648800000000, 0.0001307600000000 ] - [ 0.0009907800000000, -0.0020338800000000, 0.0004867900000000 ] - [ -0.0063192000000000, 0.0080321400000000, 0.0163465800000000 ] - [ 0.0013230800000000, 0.0001432200000000, -0.0005756000000000 ] - [ -0.0005515700000000, 0.0031957000000000, -0.0034551400000000 ] - [ -0.0023502600000000, 0.0004008800000000, 0.0007852900000000 ] - [ 0.0007731300000000, 0.0006860900000000, -0.0001567300000000 ] - [ -0.0019143600000000, -0.0007409400000000, -0.0007680800000000 ] - [ -0.0014629500000000, -0.0007630200000000, 0.0002167400000000 ] - [ -0.0001775900000000, 0.0030858400000000, -0.0008226600000000 ] - [ -0.0005920600000000, -0.0004320700000000, 0.0006169500000000 ] - [ -0.0171570600000000, 0.0354856100000000, -0.0076861200000000 ] - [ 0.0017753700000000, -0.0009192800000000, 0.0000516500000000 ] - [ 0.0008178800000000, 0.0004496000000000, 0.0006257200000000 ] - [ 0.0007161600000000, 0.0005615700000000, 0.0028522000000000 ] - [ -0.0005517200000000, 0.0008810700000000, 0.0001308100000000 ] - [ 0.0002030500000000, 0.0003360500000000, -0.0002074800000000 ] - [ -0.0066003600000000, 0.0108140900000000, 0.0123709400000000 ] - [ 0.0005049500000000, -0.0004007900000000, 0.0000330500000000 ] - [ 0.0004688800000000, 0.0002693400000000, 0.0001169500000000 ] - [ 0.4850627200000000, -0.1882705600000000, -0.1186140800000000 ] - [ 0.0001958600000000, -0.0005492100000000, 0.0000978200000000 ] - [ -0.0002725900000000, -0.0000825400000000, 0.0005928900000000 ] - [ 0.0064461700000000, 0.0027585900000000, 0.0005359800000000 ] - [ 0.0006350500000000, -0.0002735500000000, 0.0001392900000000 ] - [ 0.0008078400000000, 0.0030986800000000, 0.0008243300000000 ] - [ 0.0000728700000000, 0.0009030700000000, 0.0001856300000000 ] - [ -0.0001696300000000, -0.0005804500000000, 0.0001559300000000 ] - [ -0.0003870900000000, 0.0003367200000000, -0.0000534900000000 ] - [ 0.0000013200000000, -0.0006885000000000, 0.0004122800000000 ] - [ 0.0000762600000000, 0.0002138700000000, -0.0005595500000000 ] - [ -0.0006829300000000, 0.0006806700000000, 0.0003094300000000 ] - [ -0.0004511900000000, 0.0005289900000000, 0.0037643600000000 ] - [ -0.0027010800000000, -0.0041603100000000, -0.0017553400000000 ] - [ -0.0005665700000000, 0.0098156500000000, -0.0127019200000000 ] - [ 0.0009100300000000, 0.0011640800000000, -0.0001088500000000 ] - [ -0.0333796200000000, -0.0028483400000000, -0.0001883200000000 ] - [ -0.0033346800000000, -0.0015133700000000, 0.0024372100000000 ] - [ -0.0008190300000000, -0.0008287300000000, -0.0000293800000000 ] - [ 0.0011592900000000, 0.0003080900000000, -0.0030834700000000 ] - [ 0.0064371100000000, 0.0058149200000000, -0.0016708100000000 ] - [ -0.0024081900000000, 0.0029829100000000, 0.0003591000000000 ] - [ -0.0004173300000000, 0.0005798300000000, 0.0000180300000000 ] - [ 0.0004627200000000, 0.0003814600000000, 0.0001345100000000 ] - [ -0.0020647400000000, 0.0019590800000000, -0.0004290200000000 ] - [ -0.0003920500000000, 0.0004518000000000, -0.0000151900000000 ] - [ -0.0006370700000000, -0.0003110300000000, -0.0001050900000000 ] - [ 0.0022531400000000, 0.0011242300000000, 0.0001669300000000 ] - [ -0.0001260500000000, 0.0000222800000000, -0.0001218200000000 ] - [ -0.0020835100000000, 0.0024550500000000, 0.0010246300000000 ] - [ 0.0004431500000000, 0.0002516300000000, 0.0002645100000000 ] - [ -0.0007085600000000, 0.0017925200000000, -0.0001422300000000 ] - [ -0.0000225400000000, -0.0000103100000000, 0.0001068600000000 ] - [ -0.0024505800000000, -0.0015885400000000, 0.0021193200000000 ] - [ -0.0004181700000000, 0.0002215700000000, -0.0001992800000000 ] - [ -0.0014083400000000, 0.0002582500000000, -0.0002971000000000 ] - [ -0.0331283800000000, -0.0076926100000000, 0.0092262800000000 ] - [ -0.0012081500000000, 0.0013810600000000, -0.0001743900000000 ] - [ 0.0000661000000000, -0.0012831400000000, 0.0010783900000000 ] - [ 0.0009093000000000, -0.0000542500000000, 0.0001412300000000 ] - [ -0.0010700100000000, 0.0012599300000000, 0.0004056500000000 ] - [ -0.0003436900000000, 0.0006439300000000, -0.0004241100000000 ] - [ 0.0003283600000000, 0.0007257800000000, 0.0005244300000000 ] - [ -0.0018436300000000, 0.0001326300000000, -0.0004313500000000 ] - [ -0.0007190900000000, -0.0006970100000000, -0.0003409600000000 ] - [ -0.0021543400000000, -0.0006143200000000, -0.0007491600000000 ] - [ -0.0101053300000000, 0.0024604900000000, 0.0002219800000000 ] - [ -0.0005237800000000, -0.0008455700000000, -0.0010513700000000 ] - [ -0.0010536500000000, 0.0001604500000000, 0.0001042700000000 ] - [ 0.0006681400000000, -0.0007016500000000, 0.0004907600000000 ] - [ -0.0011818400000000, -0.0010561600000000, -0.0031052400000000 ] - [ 0.0000012200000000, 0.0003972300000000, 0.0004859400000000 ] - [ -0.0007774900000000, 0.0004411200000000, -0.0009122100000000 ] - [ 0.0012421600000000, 0.0020162500000000, -0.0002038600000000 ] - [ -0.0004939600000000, 0.0010382200000000, 0.0002237400000000 ] - [ -0.0020885300000000, -0.0018959500000000, 0.0020274300000000 ] - [ 0.0009422700000000, 0.0019302800000000, -0.0004494300000000 ] - [ 0.0005123500000000, 0.0007938800000000, -0.0004481200000000 ] - [ 0.0024610100000000, -0.0024004400000000, 0.0002978900000000 ] - [ -0.0001726800000000, 0.0005383000000000, 0.0003552600000000 ] - [ -0.0020617500000000, -0.0010073800000000, 0.0004704700000000 ] - [ -0.0007231300000000, 0.0058319600000000, 0.0011104900000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011665100000000, 0.0011191000000000, -0.0009459800000000 ] - [ -0.0011446900000000, 0.0014983700000000, 0.0008926400000000 ] - [ -0.0001343000000000, -0.0006317400000000, 0.0002494800000000 ] - [ -0.0000604400000000, -0.0006386500000000, -0.0001578100000000 ] - [ -0.0024587500000000, -0.0047462700000000, -0.0008690000000000 ] - [ -0.0000324400000000, 0.0011914400000000, 0.0002484200000000 ] - [ -0.0241240000000000, 0.0421064600000000, -0.0050022200000000 ] - [ 0.0018776400000000, 0.0018645700000000, 0.0002696700000000 ] - [ -0.0002969000000000, -0.0007799800000000, 0.0001061100000000 ] - [ 0.0042703700000000, 0.0014194500000000, -0.0058941300000000 ] - [ -0.0017635200000000, 0.0003906800000000, -0.0005295500000000 ] - [ 0.0003589100000000, -0.0003132100000000, 0.0003243800000000 ] - [ 0.0020891400000000, -0.0036234400000000, -0.0003201000000000 ] - [ 0.0002555200000000, -0.0023892100000000, -0.0008662900000000 ] - [ 0.0000673700000000, 0.0002292000000000, -0.0000757700000000 ] - [ 0.0002481700000000, -0.0023106600000000, 0.0004821400000000 ] - [ 0.0016588300000000, -0.0036198000000000, -0.0044101700000000 ] - [ -0.0011826200000000, -0.0036631900000000, 0.0062118500000000 ] - [ -0.0009105300000000, -0.0025541300000000, -0.0013325000000000 ] - [ -0.0010239000000000, 0.0020518400000000, -0.0004757400000000 ] - [ -0.0001054000000000, 0.0016711200000000, -0.0005282000000000 ] - [ 0.0000483700000000, 0.0001660000000000, -0.0015020600000000 ] - [ -0.0033939100000000, -0.0200326900000000, 0.0027276200000000 ] - [ 0.0020659900000000, 0.0034145300000000, -0.0004957800000000 ] - [ 0.0000820700000000, 0.0011239600000000, 0.0002621200000000 ] - [ 0.0004498100000000, -0.0023564900000000, 0.0011400300000000 ] - [ 0.0010543200000000, 0.0012884300000000, 0.0002679200000000 ] - [ -0.1072946700000000, 0.0907091000000000, 0.0346359000000000 ] - [ 0.0041842900000000, -0.0019405100000000, 0.0021013400000000 ] - [ 0.0011095000000000, -0.0015166300000000, -0.0002723600000000 ] - [ 0.0010263600000000, 0.0022943600000000, 0.0011119700000000 ] - [ -0.0000568700000000, -0.0014292300000000, -0.0000567900000000 ] - [ -0.0096240000000000, -0.0082571800000000, 0.0084615600000000 ] - [ 0.0005452100000000, -0.0007208900000000, 0.0005540300000000 ] - [ 0.0016904400000000, -0.0025280800000000, -0.0001538200000000 ] - [ -0.0010758500000000, -0.0062963000000000, -0.0020837900000000 ] - [ -0.0005154100000000, -0.0007030900000000, -0.0004058700000000 ] - [ -0.0001392900000000, 0.0018443400000000, -0.0012243300000000 ] - [ 0.0000932900000000, -0.0016751800000000, 0.0001967200000000 ] - [ 0.0005423400000000, -0.0029790600000000, 0.0002837700000000 ] - [ -0.0199094900000000, 0.0020531600000000, 0.0223229700000000 ] - [ 0.0005513400000000, -0.0005496800000000, 0.0005772600000000 ] - [ -0.0014793500000000, 0.0028742300000000, -0.0036531700000000 ] - [ -0.0010268900000000, -0.0002825000000000, -0.0003639100000000 ] - [ 0.0005193500000000, 0.0005666500000000, -0.0002114500000000 ] - [ -0.0008548400000000, -0.0002530000000000, 0.0001552800000000 ] - [ -0.0010445600000000, -0.0010672700000000, 0.0000376400000000 ] - [ -0.0007622500000000, 0.0025934300000000, -0.0008485000000000 ] - [ -0.0000170400000000, -0.0004637300000000, -0.0000373700000000 ] - [ -0.0282656700000000, 0.0255956900000000, -0.0073863200000000 ] - [ 0.0011364000000000, -0.0012470000000000, -0.0000752900000000 ] - [ 0.0006456100000000, 0.0011612300000000, 0.0012094300000000 ] - [ 0.0002161800000000, 0.0001672800000000, 0.0024275900000000 ] - [ -0.0010293100000000, 0.0016513800000000, 0.0001355800000000 ] - [ 0.0005025200000000, 0.0011534800000000, -0.0001417600000000 ] - [ -0.0070489200000000, 0.0060574300000000, 0.0095915400000000 ] - [ 0.0003704100000000, 0.0000412600000000, 0.0001518500000000 ] - [ 0.0006360000000000, 0.0005376200000000, 0.0000658800000000 ] - [ 0.1850172900000000, -0.1708344600000000, -0.0384776700000000 ] - [ -0.0000398800000000, -0.0011814300000000, 0.0001753400000000 ] - [ -0.0000263600000000, -0.0008409400000000, 0.0001579900000000 ] - [ 0.0025924300000000, 0.0062162000000000, -0.0002913700000000 ] - [ 0.0000958400000000, -0.0003550100000000, -0.0001920700000000 ] - [ -0.0000200600000000, 0.0017564300000000, 0.0008549900000000 ] - [ -0.0008190200000000, 0.0027342500000000, 0.0004380000000000 ] - [ -0.0000883600000000, 0.0000836800000000, -0.0001224200000000 ] - [ -0.0006347500000000, 0.0006461500000000, -0.0001575500000000 ] - [ 0.0003188100000000, -0.0006747300000000, 0.0003603900000000 ] - [ 0.0001625600000000, 0.0009982300000000, -0.0010272900000000 ] - [ -0.0005541100000000, 0.0006040400000000, 0.0001310400000000 ] - [ -0.0003495200000000, 0.0000351500000000, 0.0029112900000000 ] - [ -0.0004576900000000, -0.0023123500000000, -0.0010325600000000 ] - [ -0.0034848000000000, 0.0056792300000000, -0.0106706400000000 ] - [ 0.0011114500000000, 0.0018138600000000, -0.0000665800000000 ] - [ -0.0032100900000000, -0.0038158100000000, -0.0002013200000000 ] - [ -0.0005324500000000, -0.0012380500000000, 0.0008172900000000 ] - [ 0.0005089400000000, 0.0003343700000000, 0.0003361900000000 ] - [ 0.0005769700000000, -0.0001922800000000, -0.0031932900000000 ] - [ 0.0056276200000000, 0.0246585700000000, -0.0051416700000000 ] - [ -0.0020350300000000, 0.0013701400000000, 0.0004352900000000 ] - [ -0.0002530800000000, 0.0009254300000000, 0.0002353900000000 ] - [ 0.0007631500000000, 0.0007247500000000, -0.0001882200000000 ] - [ -0.0009319700000000, 0.0012169300000000, -0.0000576700000000 ] - [ -0.0006969000000000, 0.0007819900000000, 0.0001386200000000 ] - [ -0.0003804900000000, -0.0001648000000000, -0.0002563400000000 ] - [ 0.0001168300000000, 0.0006426100000000, -0.0025091500000000 ] - [ -0.0001410800000000, 0.0002374600000000, -0.0001818200000000 ] - [ -0.0015358500000000, 0.0017288300000000, 0.0010203800000000 ] - [ 0.0002232100000000, 0.0003905500000000, 0.0003261800000000 ] - [ -0.0004367200000000, 0.0018765300000000, -0.0001541700000000 ] - [ 0.0000759200000000, 0.0001677900000000, 0.0000620600000000 ] - [ 0.0003380500000000, -0.0006947800000000, -0.0010157500000000 ] - [ -0.0002448800000000, 0.0003710400000000, -0.0003210200000000 ] - [ -0.0002005800000000, -0.0013967700000000, 0.0002046300000000 ] - [ 0.0125712800000000, -0.0093581400000000, -0.0026775300000000 ] - [ -0.0011988400000000, 0.0017990600000000, -0.0000857900000000 ] - [ 0.0002009700000000, -0.0010089500000000, -0.0002146500000000 ] - [ 0.0004420100000000, -0.0004226100000000, 0.0000674000000000 ] - [ -0.0008878900000000, 0.0016399200000000, 0.0004587300000000 ] - [ -0.0002478900000000, 0.0010896500000000, -0.0006291200000000 ] - [ 0.0002465100000000, 0.0011539900000000, 0.0005699700000000 ] - [ -0.0001797500000000, 0.0005918100000000, 0.0000556700000000 ] - [ -0.0003236100000000, -0.0004343700000000, -0.0004053600000000 ] - [ -0.0019279800000000, -0.0005184300000000, -0.0009024400000000 ] - [ 0.0002836900000000, -0.0011953400000000, 0.0005753100000000 ] - [ -0.0002731000000000, -0.0007489700000000, 0.0003891000000000 ] - [ -0.0005772600000000, -0.0002174500000000, -0.0000277600000000 ] - [ 0.0003283200000000, -0.0004634100000000, 0.0003732800000000 ] - [ 0.0002020500000000, -0.0007958000000000, 0.0009635100000000 ] - [ -0.0000786800000000, 0.0003190600000000, 0.0003894100000000 ] - [ -0.0008018600000000, 0.0006357800000000, -0.0010819100000000 ] - [ 0.0015985300000000, 0.0066562900000000, -0.0001273200000000 ] - [ -0.0001477700000000, 0.0013675000000000, 0.0002645900000000 ] - [ -0.0016889500000000, -0.0027255300000000, 0.0002221600000000 ] - [ 0.0015507900000000, 0.0029666600000000, -0.0001899800000000 ] - [ 0.0002629300000000, 0.0015638600000000, 0.0002275900000000 ] - [ 0.0026438100000000, 0.0008235500000000, -0.0005280900000000 ] - [ 0.0000495200000000, 0.0006112900000000, 0.0004305900000000 ] - [ -0.0010995000000000, -0.0002038100000000, 0.0003029200000000 ] - [ -0.0017561800000000, 0.0053146100000000, 0.0013505900000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013260700000000, -0.0011204600000000, 0.0009467900000000 ] - [ 0.0009958400000000, -0.0014992300000000, -0.0008977100000000 ] - [ 0.0002902700000000, 0.0006300000000000, -0.0002509400000000 ] - [ -0.0000935300000000, 0.0006368300000000, 0.0001590600000000 ] - [ 0.0024523700000000, 0.0039117500000000, 0.0008652300000000 ] - [ 0.0000321700000000, -0.0003602400000000, -0.0002483900000000 ] - [ 0.0264118500000000, -0.0433989200000000, 0.0052668200000000 ] - [ -0.0007076400000000, -0.0018595100000000, -0.0002702000000000 ] - [ 0.0002977600000000, 0.0003933400000000, -0.0001049100000000 ] - [ -0.0054734400000000, -0.0014127900000000, 0.0059612800000000 ] - [ 0.0016918900000000, -0.0013433500000000, 0.0004920400000000 ] - [ -0.0003592600000000, 0.0011557700000000, -0.0003213700000000 ] - [ -0.0020881900000000, 0.0040235800000000, 0.0003173300000000 ] - [ 0.0009178500000000, 0.0023948300000000, 0.0008756200000000 ] - [ -0.0000674800000000, -0.0006274600000000, 0.0000786100000000 ] - [ -0.0014256500000000, 0.0023157000000000, -0.0004863000000000 ] - [ -0.0009908700000000, 0.0044790000000000, 0.0039337500000000 ] - [ 0.0005078100000000, 0.0045243400000000, -0.0057467700000000 ] - [ 0.0002363600000000, 0.0017056400000000, 0.0008420700000000 ] - [ 0.0002734100000000, -0.0022071100000000, 0.0000069500000000 ] - [ 0.0008581700000000, -0.0015128100000000, 0.0000580500000000 ] - [ -0.0000515800000000, 0.0004237800000000, 0.0016760900000000 ] - [ 0.0026574200000000, 0.0201984000000000, -0.0022725800000000 ] - [ -0.0020988900000000, -0.0039841200000000, 0.0006622100000000 ] - [ -0.0000787800000000, -0.0005391900000000, -0.0004229800000000 ] - [ 0.0002229500000000, 0.0015051700000000, -0.0006488000000000 ] - [ -0.0003039300000000, -0.0014423300000000, 0.0002049900000000 ] - [ 0.1065328500000000, -0.0923043600000000, -0.0344516500000000 ] - [ -0.0035081500000000, 0.0027980200000000, -0.0025846500000000 ] - [ -0.0017959000000000, 0.0023904200000000, 0.0007565200000000 ] - [ -0.0017194000000000, -0.0031636500000000, -0.0015678600000000 ] - [ -0.0007039000000000, 0.0012790800000000, -0.0004059700000000 ] - [ 0.0105008800000000, 0.0084227700000000, -0.0090051300000000 ] - [ -0.0005558600000000, 0.0013022600000000, -0.0003921400000000 ] - [ -0.0024722200000000, 0.0026844600000000, 0.0006213900000000 ] - [ 0.0010932100000000, 0.0057364600000000, 0.0022644200000000 ] - [ 0.0005262500000000, 0.0012839800000000, 0.0002452300000000 ] - [ 0.0008109100000000, -0.0026997700000000, 0.0016890000000000 ] - [ 0.0006678600000000, 0.0015265200000000, 0.0002673500000000 ] - [ -0.0005520200000000, 0.0024002600000000, -0.0004492200000000 ] - [ 0.0197928200000000, -0.0020129800000000, -0.0220005400000000 ] - [ 0.0006370100000000, 0.0009940200000000, -0.0002708900000000 ] - [ 0.0026724800000000, -0.0033203900000000, 0.0033476900000000 ] - [ -0.0001565600000000, 0.0007261000000000, 0.0000550600000000 ] - [ -0.0005832100000000, -0.0003876500000000, -0.0001136600000000 ] - [ -0.0003330500000000, -0.0001942900000000, 0.0001491200000000 ] - [ 0.0001213000000000, 0.0003525200000000, -0.0001511200000000 ] - [ 0.0017235900000000, -0.0029390600000000, 0.0011459600000000 ] - [ 0.0000215500000000, 0.0003461700000000, 0.0001783600000000 ] - [ 0.0275308800000000, -0.0256403100000000, 0.0079225200000000 ] - [ -0.0002135400000000, 0.0005319000000000, 0.0001875700000000 ] - [ -0.0001044400000000, -0.0011311600000000, -0.0008018600000000 ] - [ -0.0002212000000000, -0.0002873100000000, -0.0025803800000000 ] - [ 0.0000745300000000, -0.0013195200000000, 0.0001560800000000 ] - [ -0.0004400500000000, -0.0013362300000000, -0.0001825600000000 ] - [ 0.0065862900000000, -0.0052141300000000, -0.0097889200000000 ] - [ 0.0001566400000000, -0.0009095400000000, -0.0002628000000000 ] - [ 0.0003920200000000, -0.0002843500000000, 0.0000595100000000 ] - [ -0.1865333600000000, 0.1751580200000000, 0.0386588000000000 ] - [ -0.0001953500000000, 0.0013808000000000, -0.0009043600000000 ] - [ 0.0002620900000000, 0.0010385700000000, 0.0005670600000000 ] - [ -0.0016813800000000, -0.0054669500000000, 0.0001721300000000 ] - [ -0.0004472300000000, -0.0007376700000000, -0.0005544800000000 ] - [ -0.0009369100000000, -0.0020991000000000, -0.0011544400000000 ] - [ 0.0007606600000000, -0.0029210500000000, -0.0001145700000000 ] - [ -0.0004387500000000, -0.0009509500000000, 0.0002326100000000 ] - [ -0.0003930300000000, -0.0003933500000000, 0.0000326000000000 ] - [ 0.0000303100000000, -0.0004166500000000, 0.0003835900000000 ] - [ -0.0007031200000000, -0.0009666300000000, 0.0006204000000000 ] - [ 0.0006182800000000, -0.0004251500000000, 0.0001937400000000 ] - [ -0.0001916300000000, -0.0000685800000000, -0.0025215500000000 ] - [ 0.0006999500000000, 0.0021118700000000, 0.0003072400000000 ] - [ 0.0040591000000000, -0.0048284100000000, 0.0108751600000000 ] - [ -0.0001554400000000, -0.0014824200000000, -0.0002252500000000 ] - [ 0.0035631900000000, 0.0049227400000000, -0.0005382000000000 ] - [ 0.0005428200000000, 0.0013512700000000, -0.0009592500000000 ] - [ -0.0014339400000000, 0.0003800700000000, -0.0002229900000000 ] - [ -0.0000385000000000, 0.0001605400000000, 0.0028042600000000 ] - [ -0.0067260500000000, -0.0254669300000000, 0.0053133300000000 ] - [ 0.0030824600000000, -0.0016350600000000, -0.0005637900000000 ] - [ 0.0002519400000000, -0.0008110800000000, -0.0000920700000000 ] - [ 0.0004302100000000, -0.0002809900000000, 0.0004877200000000 ] - [ 0.0021345300000000, -0.0016687300000000, -0.0002426600000000 ] - [ -0.0004952500000000, -0.0003392800000000, -0.0004382600000000 ] - [ 0.0003193500000000, 0.0003424400000000, -0.0000694600000000 ] - [ -0.0013168500000000, -0.0010847200000000, 0.0028311900000000 ] - [ -0.0007901000000000, -0.0009580100000000, 0.0000706000000000 ] - [ 0.0025070100000000, -0.0020835400000000, -0.0007309600000000 ] - [ -0.0002221600000000, -0.0005073800000000, -0.0001880600000000 ] - [ 0.0002067100000000, -0.0020802000000000, 0.0008828900000000 ] - [ 0.0008537400000000, -0.0008878100000000, 0.0000483300000000 ] - [ 0.0002219300000000, 0.0007430200000000, 0.0014007500000000 ] - [ 0.0002436900000000, -0.0004876800000000, 0.0001812200000000 ] - [ -0.0007536400000000, 0.0017298500000000, 0.0000921800000000 ] - [ -0.0123173800000000, 0.0092537700000000, 0.0022840200000000 ] - [ 0.0006717000000000, -0.0009381700000000, -0.0000288700000000 ] - [ 0.0003253700000000, 0.0001513200000000, 0.0000920400000000 ] - [ 0.0005839100000000, 0.0006784300000000, 0.0000585100000000 ] - [ 0.0005420500000000, -0.0005543400000000, 0.0002861300000000 ] - [ 0.0000150100000000, -0.0008923000000000, -0.0000985900000000 ] - [ -0.0000139000000000, -0.0009567900000000, 0.0001579100000000 ] - [ 0.0011214900000000, 0.0001318000000000, -0.0001646700000000 ] - [ -0.0000205800000000, -0.0006525500000000, -0.0003389800000000 ] - [ 0.0009681900000000, 0.0001778100000000, 0.0006069300000000 ] - [ -0.0003031500000000, 0.0010039200000000, -0.0002422700000000 ] - [ -0.0002519000000000, -0.0001113300000000, -0.0002678200000000 ] - [ -0.0004484700000000, 0.0004729000000000, -0.0000992600000000 ] - [ 0.0000158700000000, -0.0006233600000000, 0.0003704400000000 ] - [ -0.0007406400000000, 0.0008391700000000, -0.0013450300000000 ] - [ 0.0001419100000000, -0.0001439900000000, -0.0000667800000000 ] - [ 0.0002595700000000, -0.0006713200000000, 0.0014856800000000 ] - [ -0.0013849400000000, -0.0069133800000000, -0.0005891100000000 ] - [ 0.0006750800000000, -0.0005097400000000, -0.0001476500000000 ] - [ 0.0026544700000000, 0.0030664600000000, -0.0005293100000000 ] - [ -0.0012135200000000, -0.0018873000000000, -0.0005558200000000 ] - [ -0.0002629100000000, -0.0014524800000000, -0.0003758500000000 ] - [ -0.0036137600000000, -0.0000802900000000, 0.0006411900000000 ] - [ 0.0004941000000000, -0.0006502700000000, -0.0008376700000000 ] - [ 0.0000725400000000, -0.0000544400000000, -0.0001768300000000 ] - [ 0.0027800800000000, -0.0055752500000000, -0.0014661900000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016092800000000, -0.0010085200000000, -0.0014349000000000 ] - [ 0.0011622800000000, 0.0016397100000000, -0.0020096900000000 ] - [ 0.0001069300000000, 0.0000896100000000, 0.0000122100000000 ] - [ -0.0000478800000000, -0.0000903400000000, -0.0000473600000000 ] - [ 0.0005195500000000, 0.0000005000000000, 0.0012581500000000 ] - [ -0.0004074200000000, 0.0003683300000000, -0.0028960900000000 ] - [ 0.0045453200000000, -0.0046705300000000, 0.0124458500000000 ] - [ 0.0005685100000000, 0.0001829900000000, -0.0001730400000000 ] - [ -0.0002552300000000, -0.0002758400000000, -0.0010490200000000 ] - [ 0.0052267400000000, 0.0001390600000000, -0.0080670100000000 ] - [ 0.0016554700000000, 0.0022919200000000, 0.0021659500000000 ] - [ 0.0001199600000000, 0.0001921600000000, -0.0009969600000000 ] - [ -0.0006033200000000, 0.0004065600000000, 0.0008222200000000 ] - [ -0.0001846200000000, -0.0009195000000000, -0.0001878900000000 ] - [ -0.0002535700000000, -0.0001603800000000, -0.0011379600000000 ] - [ -0.0014155800000000, 0.0008470600000000, 0.0000107600000000 ] - [ 0.0019162600000000, -0.0046709100000000, -0.0039500500000000 ] - [ 0.0025765100000000, 0.0060126100000000, -0.0034480600000000 ] - [ -0.0002392700000000, -0.0008970400000000, -0.0002187900000000 ] - [ -0.0007675600000000, 0.0007000600000000, -0.0031122300000000 ] - [ 0.0004999300000000, 0.0000611600000000, 0.0010591900000000 ] - [ -0.0001222400000000, -0.0004580900000000, -0.0034878200000000 ] - [ 0.0008595300000000, 0.0061085600000000, 0.0020589900000000 ] - [ 0.0019264800000000, -0.0007478400000000, 0.0013376500000000 ] - [ 0.0002449700000000, 0.0004339800000000, -0.0016452400000000 ] - [ 0.0007718500000000, 0.0000032300000000, 0.0001335200000000 ] - [ 0.0003763000000000, -0.0001819900000000, -0.0012630200000000 ] - [ -0.1027702500000000, 0.0345350900000000, 0.0859543000000000 ] - [ -0.0005999500000000, 0.0012863800000000, -0.0009905300000000 ] - [ 0.0013072500000000, -0.0021155300000000, 0.0005839300000000 ] - [ 0.0011272300000000, 0.0016033800000000, -0.0005580000000000 ] - [ -0.0002410800000000, -0.0000474200000000, -0.0008396300000000 ] - [ -0.0004413800000000, 0.0012932000000000, 0.0026480700000000 ] - [ 0.0000459900000000, 0.0003175000000000, -0.0007114400000000 ] - [ 0.0005157000000000, -0.0007322200000000, 0.0024503100000000 ] - [ -0.0000294900000000, -0.0000030300000000, 0.0008188100000000 ] - [ -0.0001041200000000, 0.0001800300000000, -0.0009949600000000 ] - [ -0.0013097100000000, -0.0013444200000000, -0.0000281200000000 ] - [ 0.0003176100000000, -0.0002895700000000, -0.0003295000000000 ] - [ 0.0001676100000000, -0.0005392500000000, 0.0008371400000000 ] - [ -0.0256636400000000, 0.0165561100000000, 0.0167018200000000 ] - [ 0.0012205100000000, 0.0003710400000000, 0.0015636100000000 ] - [ 0.0011728500000000, -0.0010279600000000, 0.0002985900000000 ] - [ -0.0010713000000000, 0.0001769700000000, 0.0005786800000000 ] - [ 0.0000697400000000, 0.0001472700000000, 0.0004349700000000 ] - [ -0.0011905800000000, -0.0000907000000000, -0.0005448200000000 ] - [ -0.0005073400000000, -0.0004735700000000, 0.0006635600000000 ] - [ 0.0011831500000000, -0.0029017800000000, 0.0007624500000000 ] - [ -0.0003098500000000, -0.0003427600000000, 0.0009536100000000 ] - [ 0.0112693500000000, -0.0144295800000000, -0.0046615000000000 ] - [ 0.0006025700000000, -0.0002928900000000, 0.0010348100000000 ] - [ 0.0003842800000000, 0.0002670400000000, -0.0002043300000000 ] - [ 0.0002262800000000, 0.0007722200000000, 0.0034740100000000 ] - [ -0.0004929100000000, 0.0002972900000000, 0.0001950700000000 ] - [ 0.0000207400000000, -0.0000273600000000, -0.0004386900000000 ] - [ -0.0083062100000000, 0.0098842500000000, 0.0082432600000000 ] - [ 0.0002746200000000, -0.0001029700000000, 0.0001737600000000 ] - [ 0.0005454400000000, 0.0001568100000000, 0.0003434700000000 ] - [ 0.1152099500000000, -0.0384797600000000, -0.0996720400000000 ] - [ -0.0001001800000000, -0.0007499800000000, 0.0009922300000000 ] - [ 0.0000478800000000, 0.0004219200000000, 0.0009637500000000 ] - [ 0.0001053400000000, -0.0011848800000000, -0.0011924000000000 ] - [ 0.0003378500000000, -0.0003619400000000, 0.0006023900000000 ] - [ 0.0002294000000000, 0.0019453200000000, 0.0004558300000000 ] - [ -0.0000057800000000, -0.0003432000000000, -0.0001009300000000 ] - [ -0.0003749700000000, -0.0008726100000000, 0.0004403500000000 ] - [ -0.0004228000000000, 0.0001392700000000, 0.0002091900000000 ] - [ 0.0002155900000000, -0.0005326000000000, 0.0009029400000000 ] - [ -0.0004119400000000, -0.0002179100000000, -0.0002632900000000 ] - [ 0.0000540800000000, 0.0001180600000000, 0.0007377600000000 ] - [ -0.0004379100000000, 0.0004819800000000, 0.0027101500000000 ] - [ -0.0002208800000000, -0.0005109300000000, -0.0010259200000000 ] - [ 0.0048539800000000, -0.0089607300000000, 0.0085093600000000 ] - [ 0.0005213600000000, 0.0000503800000000, -0.0001509900000000 ] - [ 0.0000019200000000, 0.0003763900000000, -0.0036954800000000 ] - [ -0.0005157600000000, 0.0003514400000000, -0.0009505800000000 ] - [ -0.0006502500000000, 0.0004995700000000, -0.0005062500000000 ] - [ -0.0000209300000000, -0.0004701200000000, 0.0019104500000000 ] - [ 0.0004272900000000, 0.0012632900000000, -0.0036274900000000 ] - [ 0.0003510000000000, 0.0000642700000000, -0.0013141200000000 ] - [ 0.0001335900000000, -0.0001122700000000, -0.0004634600000000 ] - [ 0.0003322100000000, 0.0000869400000000, 0.0004897100000000 ] - [ -0.0015859900000000, 0.0016032200000000, -0.0011341400000000 ] - [ -0.0007030300000000, 0.0003740500000000, 0.0001078400000000 ] - [ -0.0001860600000000, -0.0000513200000000, 0.0002242500000000 ] - [ -0.0015625800000000, -0.0014233800000000, -0.0011239000000000 ] - [ -0.0004284100000000, -0.0002706300000000, 0.0001339900000000 ] - [ -0.0022828500000000, 0.0028473200000000, 0.0009433100000000 ] - [ 0.0001835000000000, -0.0000620200000000, 0.0005771000000000 ] - [ -0.0002055600000000, 0.0004676200000000, -0.0001889300000000 ] - [ 0.0003777700000000, -0.0003123400000000, 0.0002895700000000 ] - [ -0.0000549400000000, -0.0004653800000000, -0.0000462900000000 ] - [ 0.0001353000000000, -0.0000333000000000, 0.0003512700000000 ] - [ -0.0001549900000000, 0.0001328500000000, 0.0001940200000000 ] - [ -0.0069299400000000, -0.0017902800000000, -0.0099543500000000 ] - [ -0.0000298300000000, 0.0001677600000000, -0.0001739700000000 ] - [ 0.0001956500000000, -0.0010272900000000, 0.0005526900000000 ] - [ 0.0008648000000000, 0.0002126400000000, 0.0010021500000000 ] - [ -0.0002065900000000, 0.0006309300000000, 0.0001127900000000 ] - [ -0.0001741300000000, -0.0000292900000000, -0.0000730600000000 ] - [ 0.0001037500000000, 0.0003283900000000, 0.0006784600000000 ] - [ 0.0000050000000000, 0.0002384400000000, -0.0006234900000000 ] - [ -0.0001425500000000, -0.0005776800000000, -0.0000766900000000 ] - [ -0.0002680000000000, -0.0003822700000000, 0.0000469900000000 ] - [ -0.0013976300000000, 0.0003094600000000, -0.0005052200000000 ] - [ -0.0000292900000000, -0.0001006800000000, 0.0004483400000000 ] - [ -0.0003633000000000, 0.0000069700000000, 0.0004584300000000 ] - [ 0.0002922000000000, -0.0005459900000000, 0.0006803800000000 ] - [ 0.0004279500000000, 0.0001102100000000, -0.0012120500000000 ] - [ -0.0001916900000000, 0.0005258700000000, 0.0008810000000000 ] - [ -0.0001578000000000, -0.0001729800000000, 0.0008109500000000 ] - [ 0.0003109900000000, -0.0002695900000000, -0.0009507600000000 ] - [ 0.0002296600000000, 0.0010128800000000, -0.0005692700000000 ] - [ -0.0015112000000000, -0.0018624000000000, 0.0006996400000000 ] - [ 0.0002524500000000, 0.0003621400000000, -0.0006069200000000 ] - [ 0.0001781700000000, 0.0002200000000000, -0.0004713400000000 ] - [ -0.0002578800000000, -0.0001689200000000, -0.0004868500000000 ] - [ -0.0000009600000000, 0.0005955900000000, 0.0003498700000000 ] - [ -0.0003252200000000, -0.0000442100000000, -0.0003495900000000 ] - [ 0.0013494300000000, -0.0020383900000000, -0.0015494300000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017547300000000, 0.0010075000000000, 0.0014337600000000 ] - [ -0.0013108600000000, -0.0016282500000000, 0.0019763900000000 ] - [ 0.0000465400000000, -0.0000912100000000, -0.0000108000000000 ] - [ -0.0001069600000000, 0.0000906200000000, 0.0000456600000000 ] - [ -0.0005162900000000, -0.0008369500000000, -0.0012561500000000 ] - [ 0.0004050600000000, 0.0004728800000000, 0.0028983700000000 ] - [ -0.0047049100000000, 0.0052793800000000, -0.0125659200000000 ] - [ 0.0005997300000000, -0.0001843000000000, 0.0001644200000000 ] - [ 0.0002536000000000, -0.0001190000000000, 0.0010496900000000 ] - [ -0.0063736000000000, -0.0001216800000000, 0.0080483500000000 ] - [ -0.0016884800000000, -0.0031742400000000, -0.0021923200000000 ] - [ -0.0001195800000000, 0.0006437700000000, 0.0009925600000000 ] - [ 0.0005977300000000, -0.0000127600000000, -0.0008194700000000 ] - [ 0.0013588700000000, 0.0009203600000000, 0.0001832200000000 ] - [ 0.0002554700000000, -0.0002291500000000, 0.0011402800000000 ] - [ 0.0002425100000000, -0.0008478600000000, -0.0000091700000000 ] - [ -0.0012392700000000, 0.0055268400000000, 0.0034524600000000 ] - [ -0.0032370000000000, -0.0051525100000000, 0.0039433400000000 ] - [ -0.0004369300000000, 0.0000377000000000, -0.0002664100000000 ] - [ 0.0000122500000000, -0.0008504200000000, 0.0026554000000000 ] - [ 0.0002560800000000, 0.0000992300000000, -0.0015188200000000 ] - [ 0.0001201300000000, 0.0010353700000000, 0.0036451100000000 ] - [ -0.0015852900000000, -0.0058861300000000, -0.0015890100000000 ] - [ -0.0019176400000000, 0.0001884400000000, -0.0011855800000000 ] - [ -0.0002438400000000, 0.0001488300000000, 0.0014830700000000 ] - [ -0.0000970800000000, -0.0008636500000000, 0.0003483300000000 ] - [ 0.0003786900000000, 0.0000322400000000, 0.0017322400000000 ] - [ 0.1018881700000000, -0.0346980800000000, -0.0871655900000000 ] - [ 0.0012696700000000, -0.0004261600000000, 0.0004963400000000 ] - [ -0.0019751600000000, 0.0029612900000000, -0.0000927400000000 ] - [ -0.0018023200000000, -0.0024497900000000, 0.0000942200000000 ] - [ -0.0005187700000000, -0.0001055600000000, 0.0003732200000000 ] - [ 0.0011836300000000, -0.0011648300000000, -0.0030792400000000 ] - [ -0.0000525100000000, 0.0002657200000000, 0.0008748300000000 ] - [ -0.0012765300000000, 0.0008807500000000, -0.0019956300000000 ] - [ 0.0000334600000000, -0.0005870600000000, -0.0006628300000000 ] - [ 0.0001110000000000, 0.0004045900000000, 0.0008307300000000 ] - [ 0.0020017000000000, 0.0004946400000000, 0.0005031900000000 ] - [ 0.0004415700000000, 0.0001356300000000, 0.0007946200000000 ] - [ -0.0001735600000000, -0.0000448200000000, -0.0009989000000000 ] - [ 0.0252539700000000, -0.0160420300000000, -0.0162501300000000 ] - [ -0.0000380600000000, 0.0000704500000000, -0.0012670200000000 ] - [ 0.0000202300000000, 0.0005752400000000, -0.0005917900000000 ] - [ -0.0001183000000000, 0.0002659600000000, -0.0008850300000000 ] - [ -0.0001322200000000, 0.0000307700000000, -0.0007604100000000 ] - [ -0.0000046800000000, -0.0003549600000000, 0.0008403300000000 ] - [ -0.0004195400000000, -0.0002443800000000, -0.0007767300000000 ] - [ -0.0002272000000000, 0.0025563100000000, -0.0004689000000000 ] - [ 0.0003175600000000, 0.0002268500000000, -0.0008119000000000 ] - [ -0.0115258200000000, 0.0142142500000000, 0.0053946600000000 ] - [ 0.0003256700000000, -0.0004270900000000, -0.0009264100000000 ] - [ 0.0001583300000000, -0.0002322000000000, 0.0006060900000000 ] - [ -0.0002292500000000, -0.0008869700000000, -0.0036054900000000 ] - [ -0.0004654300000000, 0.0000412700000000, 0.0000994300000000 ] - [ 0.0000411000000000, -0.0001516200000000, 0.0001129400000000 ] - [ 0.0078811200000000, -0.0091065900000000, -0.0084241700000000 ] - [ 0.0002524800000000, -0.0007588700000000, -0.0002881500000000 ] - [ 0.0004830600000000, 0.0000993600000000, -0.0002173900000000 ] - [ -0.1142690200000000, 0.0386620800000000, 0.1014456500000000 ] - [ -0.0001355400000000, 0.0009499000000000, -0.0017195900000000 ] - [ 0.0001866000000000, -0.0002241100000000, -0.0002378600000000 ] - [ 0.0008120600000000, 0.0018939500000000, 0.0010810900000000 ] - [ -0.0006859300000000, -0.0007242100000000, -0.0013473400000000 ] - [ -0.0011886800000000, -0.0022854400000000, -0.0007483200000000 ] - [ -0.0000574500000000, 0.0001650600000000, 0.0004260500000000 ] - [ -0.0001512400000000, 0.0000137600000000, -0.0003264100000000 ] - [ -0.0006054500000000, 0.0001171200000000, -0.0003348600000000 ] - [ 0.0001345700000000, -0.0005558800000000, -0.0001590200000000 ] - [ -0.0001311700000000, 0.0002521500000000, -0.0001391500000000 ] - [ 0.0000080300000000, 0.0000612900000000, -0.0004138200000000 ] - [ -0.0001040100000000, -0.0005177400000000, -0.0023076400000000 ] - [ 0.0004549200000000, 0.0003032200000000, 0.0002953400000000 ] - [ -0.0042402700000000, 0.0097206300000000, -0.0083077700000000 ] - [ 0.0004360200000000, 0.0002874800000000, -0.0001433500000000 ] - [ 0.0002994700000000, 0.0007128900000000, 0.0029468900000000 ] - [ 0.0005207600000000, -0.0002407000000000, 0.0008170200000000 ] - [ -0.0002785300000000, 0.0002166800000000, 0.0006159700000000 ] - [ 0.0005607600000000, 0.0004353300000000, -0.0023178900000000 ] - [ -0.0014461600000000, -0.0014512300000000, 0.0037403900000000 ] - [ 0.0006728100000000, -0.0003155300000000, 0.0011910900000000 ] - [ -0.0001362700000000, 0.0002285100000000, 0.0006038900000000 ] - [ 0.0008600900000000, 0.0003589500000000, -0.0001884500000000 ] - [ 0.0027864400000000, -0.0020543500000000, 0.0008381500000000 ] - [ -0.0004883800000000, 0.0000720300000000, -0.0004091000000000 ] - [ 0.0001254300000000, 0.0002317700000000, -0.0005489000000000 ] - [ 0.0003663400000000, 0.0009782600000000, 0.0014124200000000 ] - [ -0.0005015700000000, -0.0004464700000000, -0.0002455700000000 ] - [ 0.0032220500000000, -0.0031690900000000, -0.0006449300000000 ] - [ -0.0001807300000000, -0.0000548400000000, -0.0004344000000000 ] - [ -0.0000282600000000, -0.0006650200000000, 0.0009169000000000 ] - [ 0.0005510300000000, -0.0004053000000000, -0.0001779300000000 ] - [ 0.0006057400000000, 0.0005029000000000, 0.0004337700000000 ] - [ -0.0001383400000000, -0.0000822600000000, -0.0004939000000000 ] - [ -0.0008051300000000, 0.0002056800000000, 0.0001029600000000 ] - [ 0.0070245000000000, 0.0015765600000000, 0.0095304800000000 ] - [ -0.0004957400000000, 0.0006948700000000, 0.0000615800000000 ] - [ 0.0003299500000000, 0.0001631300000000, -0.0006720000000000 ] - [ 0.0001593300000000, 0.0000400200000000, -0.0008800200000000 ] - [ -0.0001407300000000, 0.0004577400000000, 0.0006310000000000 ] - [ -0.0000597400000000, 0.0002286300000000, -0.0006546900000000 ] - [ 0.0001296200000000, -0.0001282300000000, 0.0000489500000000 ] - [ 0.0009269200000000, 0.0004827500000000, 0.0005154500000000 ] - [ -0.0002048200000000, -0.0005107200000000, -0.0006684400000000 ] - [ -0.0006873200000000, 0.0000451000000000, -0.0003380500000000 ] - [ 0.0013458400000000, -0.0004926700000000, 0.0008365700000000 ] - [ -0.0004998100000000, -0.0007639000000000, -0.0003326300000000 ] - [ -0.0006639100000000, 0.0002478500000000, -0.0005852700000000 ] - [ 0.0000550900000000, -0.0005430600000000, 0.0000634500000000 ] - [ -0.0009750900000000, -0.0000773800000000, 0.0008209900000000 ] - [ 0.0002506300000000, -0.0003428500000000, -0.0005546000000000 ] - [ -0.0003840800000000, 0.0001384000000000, -0.0004012900000000 ] - [ -0.0000754600000000, 0.0000838000000000, 0.0002209100000000 ] - [ 0.0002971300000000, -0.0001462000000000, 0.0006779800000000 ] - [ 0.0024588400000000, 0.0021860700000000, -0.0009977000000000 ] - [ 0.0000972400000000, 0.0007275600000000, -0.0001380100000000 ] - [ -0.0001757900000000, -0.0001026500000000, 0.0003327400000000 ] - [ -0.0006696400000000, 0.0008973400000000, 0.0005949600000000 ] - [ 0.0005413900000000, -0.0006263300000000, -0.0007542700000000 ] - [ -0.0007012000000000, -0.0002125600000000, 0.0004722600000000 ] - [ -0.0003211800000000, 0.0017721800000000, 0.0014171000000000 ]